smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1nc(C(=O)NCC2(CS(C)(=O)=O)CC2)cc(=O)[n-]1 ZINC000338828335 282315173 /nfs/dbraw/zinc/31/51/73/282315173.db2.gz ACBCCNIUSVKWHK-UHFFFAOYSA-N -1 3 328.394 -0.197 20 0 EBADHM Cn1cc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)cc1C(N)=O ZINC000362558691 282665340 /nfs/dbraw/zinc/66/53/40/282665340.db2.gz WGZUQJBPYSNJRT-UHFFFAOYSA-N -1 3 342.315 -0.276 20 0 EBADHM COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1cncc([O-])c1 ZINC000337056068 291078692 /nfs/dbraw/zinc/07/86/92/291078692.db2.gz CDVMTJHHIQSIMF-UHFFFAOYSA-N -1 3 336.392 -0.350 20 0 EBADHM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358431539 283394342 /nfs/dbraw/zinc/39/43/42/283394342.db2.gz WOACRKKUCJLVCR-JTQLQIEISA-N -1 3 329.378 -0.397 20 0 EBADHM COC(=O)C[C@]1([N-]S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CCOC1 ZINC000361973743 291168428 /nfs/dbraw/zinc/16/84/28/291168428.db2.gz 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ZINC000625085008 375961978 /nfs/dbraw/zinc/96/19/78/375961978.db2.gz IWQBEZCYYLSILA-NSHDSACASA-N -1 3 343.467 -0.075 20 0 EBADHM O=S(=O)([N-]C[C@@H]1CN2CCN1CC2)c1cnnn1-c1ccccc1 ZINC000625078230 375962179 /nfs/dbraw/zinc/96/21/79/375962179.db2.gz WVPDBGTXDCJOCV-CQSZACIVSA-N -1 3 348.432 -0.455 20 0 EBADHM Cn1nnnc1CC[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000625103903 375966900 /nfs/dbraw/zinc/96/69/00/375966900.db2.gz FQVMMPZEJFHBOU-UHFFFAOYSA-N -1 3 348.335 -0.230 20 0 EBADHM CCO[C@H](CS(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)C1CC1 ZINC000625114950 375975602 /nfs/dbraw/zinc/97/56/02/375975602.db2.gz YOZNYRWDEKZESN-WDEREUQCSA-N -1 3 331.394 -0.633 20 0 EBADHM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000624960920 375950897 /nfs/dbraw/zinc/95/08/97/375950897.db2.gz IFGNUDQYCAGICX-QWRGUYRKSA-N -1 3 347.437 -0.790 20 0 EBADHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H](CO)C(N)=O ZINC000625207477 375997302 /nfs/dbraw/zinc/99/73/02/375997302.db2.gz KLYUTFHGJQUXBI-RYUDHWBXSA-N -1 3 334.369 -0.851 20 0 EBADHM C[C@](O)(C[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(F)(F)F ZINC000632155373 376002395 /nfs/dbraw/zinc/00/23/95/376002395.db2.gz XBDLZCGCAMTGPL-SCZZXKLOSA-N -1 3 330.328 -0.018 20 0 EBADHM CC(=O)N1CCN(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000040640618 376088415 /nfs/dbraw/zinc/08/84/15/376088415.db2.gz KAKKSMXTIYOTCQ-UHFFFAOYSA-N -1 3 344.393 -0.740 20 0 EBADHM CC(C)C[C@H](CNC(=O)C[C@H]1NC(=O)[N-]C1=O)N1CCOCC1 ZINC000042484204 376097675 /nfs/dbraw/zinc/09/76/75/376097675.db2.gz UHUSMAPVIFXGMQ-VXGBXAGGSA-N -1 3 326.397 -0.552 20 0 EBADHM CSCCNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000609133881 376065315 /nfs/dbraw/zinc/06/53/15/376065315.db2.gz KPNAOGBEEJWRNX-UHFFFAOYSA-N -1 3 330.391 -0.325 20 0 EBADHM CCCS(=O)(=O)N1CCC([N-]S(=O)(=O)c2c[nH]cn2)CC1 ZINC000070417752 376066352 /nfs/dbraw/zinc/06/63/52/376066352.db2.gz FELJFYJKNYEMGM-UHFFFAOYSA-N -1 3 336.439 -0.108 20 0 EBADHM CN1C(=O)CN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000625369568 376070930 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O=C(CC[N-]S(=O)(=O)c1cccs1)NCCN1CCOCC1 ZINC000067848642 376250984 /nfs/dbraw/zinc/25/09/84/376250984.db2.gz AMVWWDOHAMLDRA-UHFFFAOYSA-N -1 3 347.462 -0.135 20 0 EBADHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-][C@@H]3CCOC[C@H]3O)cc2o1 ZINC000625590595 376317710 /nfs/dbraw/zinc/31/77/10/376317710.db2.gz ISCDKUMZCMHKAT-VXNVDRBHSA-N -1 3 332.309 -0.312 20 0 EBADHM CCCN1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000088665756 376416846 /nfs/dbraw/zinc/41/68/46/376416846.db2.gz BLNWZVNGDVZDNH-UHFFFAOYSA-N -1 3 329.426 -0.747 20 0 EBADHM NC(=O)[C@H]1C[C@H](NC(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000624626315 376355273 /nfs/dbraw/zinc/35/52/73/376355273.db2.gz NQBMGRYWQPWOFB-KYZUINATSA-N -1 3 346.434 -0.411 20 0 EBADHM COC(=O)C[C@@H](O)CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000600464250 376366502 /nfs/dbraw/zinc/36/65/02/376366502.db2.gz NQQDJSATRJKQGV-BDJLRTHQSA-N -1 3 349.343 -0.605 20 0 EBADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCNC(=O)[C@H]1c1ccccc1F ZINC000363723594 376546323 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O=C(c1cc(F)c[n-]c1=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC000636019525 377149436 /nfs/dbraw/zinc/14/94/36/377149436.db2.gz LBIGDKIFFSFJIN-GHMZBOCLSA-N -1 3 330.337 -0.046 20 0 EBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CCCC[C@H]1O ZINC000151964312 377181774 /nfs/dbraw/zinc/18/17/74/377181774.db2.gz UEDKNVHOPAFMEI-DTWKUNHWSA-N -1 3 346.181 -0.281 20 0 EBADHM CCO[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)[n-]c2=O)[C@@H]1n1cccn1 ZINC000570122589 377209293 /nfs/dbraw/zinc/20/92/93/377209293.db2.gz GWIQZBQXTXQVIU-TUAOUCFPSA-N -1 3 333.348 -0.169 20 0 EBADHM C[C@@H]1OCC[C@@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000158596670 377296385 /nfs/dbraw/zinc/29/63/85/377296385.db2.gz DAUNVXOVOVFKMA-XPUUQOCRSA-N -1 3 332.154 -0.407 20 0 EBADHM COC(=O)C1(CS(=O)(=O)[N-]Cc2nnnn2C2CC2)CCC1 ZINC000589700133 377420808 /nfs/dbraw/zinc/42/08/08/377420808.db2.gz OZMMPIZDYMBGNX-UHFFFAOYSA-N -1 3 329.382 -0.229 20 0 EBADHM Cc1ccnc(NC(=O)CN(C)C(=O)c2cn(C)c(=O)[n-]c2=O)c1 ZINC000590110609 377431125 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EBADHM Cc1nccn1CCCN(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826330762 583891577 /nfs/dbraw/zinc/89/15/77/583891577.db2.gz HKZPCSNCMCJNSP-UHFFFAOYSA-N -1 3 330.356 -0.488 20 0 EBADHM Cc1onc(CC(=O)NC[C@H](C)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826346891 583893093 /nfs/dbraw/zinc/89/30/93/583893093.db2.gz YNYFRYOFTYLIJK-JTQLQIEISA-N -1 3 349.395 -0.210 20 0 EBADHM Cc1onc(CC(=O)NC[C@H](C)CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826346891 583893095 /nfs/dbraw/zinc/89/30/95/583893095.db2.gz YNYFRYOFTYLIJK-JTQLQIEISA-N -1 3 349.395 -0.210 20 0 EBADHM Cc1onc(CC(=O)NCc2cnc(N(C)C)n2C)c1-c1nnn[n-]1 ZINC000826348074 583893480 /nfs/dbraw/zinc/89/34/80/583893480.db2.gz SNPYHIOVOBHAER-UHFFFAOYSA-N -1 3 345.367 -0.178 20 0 EBADHM Cc1onc(CC(=O)NCc2cnc(N(C)C)n2C)c1-c1nn[n-]n1 ZINC000826348074 583893481 /nfs/dbraw/zinc/89/34/81/583893481.db2.gz SNPYHIOVOBHAER-UHFFFAOYSA-N -1 3 345.367 -0.178 20 0 EBADHM Cn1cc([C@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826360044 583894416 /nfs/dbraw/zinc/89/44/16/583894416.db2.gz 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ZINC001070752308 740937218 /nfs/dbraw/zinc/93/72/18/740937218.db2.gz LYQIINNSGGTUFC-LLVKDONJSA-N -1 3 349.391 -0.310 20 0 EBADHM CC[C@@H](C)C(=O)NCC(=O)N1CCC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001070762692 740940034 /nfs/dbraw/zinc/94/00/34/740940034.db2.gz HIYIDHBMANSTEF-GHMZBOCLSA-N -1 3 336.396 -0.312 20 0 EBADHM O=C(N[C@@H]1CC[C@@H]2CN(C(=O)c3ccncn3)C[C@@H]12)c1cn[n-]n1 ZINC000979898767 805614301 /nfs/dbraw/zinc/61/43/01/805614301.db2.gz NREUMFBDWDKHET-GMTAPVOTSA-N -1 3 327.348 -0.125 20 0 EBADHM CNC(=O)CCCC(=O)N[C@@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001070906935 740970224 /nfs/dbraw/zinc/97/02/24/740970224.db2.gz NFTXFPBNROYTFG-LLVKDONJSA-N -1 3 349.391 -0.181 20 0 EBADHM COC[C@@H](OC)C(=O)N[C@@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001070907888 740970323 /nfs/dbraw/zinc/97/03/23/740970323.db2.gz FQFXPMVETNJMIP-ZYHUDNBSSA-N -1 3 338.364 -0.436 20 0 EBADHM CC(=O)N[C@](C)(C(=O)N1CCC[C@@H](NC(=O)c2cn[n-]n2)C1)C1CC1 ZINC001070990583 741021699 /nfs/dbraw/zinc/02/16/99/741021699.db2.gz LEQNDRPZKMITLB-WBMJQRKESA-N -1 3 348.407 -0.170 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)N1CCC[C@@H](NC(=O)CCCC(N)=O)C1 ZINC001071141238 741066005 /nfs/dbraw/zinc/06/60/05/741066005.db2.gz ATCKTGHBPHIMEN-LLVKDONJSA-N -1 3 349.391 -0.133 20 0 EBADHM O=C(CCCn1cncn1)N1CCC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001071323506 741121754 /nfs/dbraw/zinc/12/17/54/741121754.db2.gz OCUHHSLFHJPHIL-LLVKDONJSA-N -1 3 332.368 -0.403 20 0 EBADHM C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001071564681 741164541 /nfs/dbraw/zinc/16/45/41/741164541.db2.gz AQXITAQNHGXLEL-GZMMTYOYSA-N -1 3 345.363 -0.797 20 0 EBADHM CNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001071969609 741268913 /nfs/dbraw/zinc/26/89/13/741268913.db2.gz GAZAYDNZKZWRBB-WCBMZHEXSA-N -1 3 335.364 -0.797 20 0 EBADHM C[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1NC(=O)c1cn[n-]n1 ZINC001072086357 741302057 /nfs/dbraw/zinc/30/20/57/741302057.db2.gz HIGMZBAADXXCHO-MWLCHTKSSA-N -1 3 336.396 -0.456 20 0 EBADHM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001072182688 741327802 /nfs/dbraw/zinc/32/78/02/741327802.db2.gz UKTHSNDPSLBOIH-WDEREUQCSA-N -1 3 337.380 -0.027 20 0 EBADHM C[C@H]1CN(C(=O)CNC(=O)c2ccoc2)C[C@H]1NC(=O)c1cn[n-]n1 ZINC001072257847 741341168 /nfs/dbraw/zinc/34/11/68/741341168.db2.gz SGSSZPZXZKWKBG-JOYOIKCWSA-N -1 3 346.347 -0.596 20 0 EBADHM C[C@@H]1CCN(C(=O)CCn2ccnn2)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001072266796 741347644 /nfs/dbraw/zinc/34/76/44/741347644.db2.gz QXAOYLGUEBWOSS-VXGBXAGGSA-N -1 3 348.411 -0.234 20 0 EBADHM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001072277288 741354938 /nfs/dbraw/zinc/35/49/38/741354938.db2.gz IUZFAOUMAYUHPG-ZJUUUORDSA-N -1 3 334.384 -0.473 20 0 EBADHM CCOCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001072290100 741361584 /nfs/dbraw/zinc/36/15/84/741361584.db2.gz JLYNNBYJANZPAP-ZYHUDNBSSA-N -1 3 325.369 -0.566 20 0 EBADHM CC(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001072338872 741373482 /nfs/dbraw/zinc/37/34/82/741373482.db2.gz IKKVTXJWWFNOMS-SKDRFNHKSA-N -1 3 335.364 -0.763 20 0 EBADHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1NC(=O)C(C)(C)C(N)=O ZINC001072338694 741373734 /nfs/dbraw/zinc/37/37/34/741373734.db2.gz HHHFIUHTFPJJMA-SCZZXKLOSA-N -1 3 335.364 -0.730 20 0 EBADHM CNC(=O)CCCC(=O)N[C@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001072338619 741373815 /nfs/dbraw/zinc/37/38/15/741373815.db2.gz GHEDTXALQXSVQO-PWSUYJOCSA-N -1 3 349.391 -0.325 20 0 EBADHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1NC(=O)CCCC(N)=O ZINC001072343778 741375518 /nfs/dbraw/zinc/37/55/18/741375518.db2.gz MVBALVJKTOISFE-KOLCDFICSA-N -1 3 335.364 -0.586 20 0 EBADHM C[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001072356194 741379238 /nfs/dbraw/zinc/37/92/38/741379238.db2.gz HTTJZTAJPRHFED-UWVGGRQHSA-N -1 3 336.396 -0.650 20 0 EBADHM CCNC(=O)CCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001072438856 741400801 /nfs/dbraw/zinc/40/08/01/741400801.db2.gz MIXGVNVPHYNGNL-CMPLNLGQSA-N -1 3 336.396 -0.312 20 0 EBADHM C[C@H]1CCN(CC(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)C1 ZINC001072983136 741534713 /nfs/dbraw/zinc/53/47/13/741534713.db2.gz MACUCWLDCKCCDU-LBPRGKRZSA-N -1 3 334.424 -0.114 20 0 EBADHM CCOCCOCC(=O)N1CCC(C)(NC(=O)c2cn[n-]n2)CC1 ZINC001073092926 741558981 /nfs/dbraw/zinc/55/89/81/741558981.db2.gz FKIRPADRIGGOPY-UHFFFAOYSA-N -1 3 339.396 -0.031 20 0 EBADHM CC1(NC(=O)C(N)=O)CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001073100899 741559900 /nfs/dbraw/zinc/55/99/00/741559900.db2.gz NPZYCSISRYBHGQ-UHFFFAOYSA-N -1 3 347.375 -0.344 20 0 EBADHM CC1(NC(=O)CCCC(N)=O)CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001073111423 741562239 /nfs/dbraw/zinc/56/22/39/741562239.db2.gz AQUPMQCYKFGVRX-UHFFFAOYSA-N -1 3 349.391 -0.051 20 0 EBADHM CNC(=O)CC(=O)NC1(C)CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001073111863 741562375 /nfs/dbraw/zinc/56/23/75/741562375.db2.gz ZRWCYPWBMLULCM-UHFFFAOYSA-N -1 3 335.364 -0.571 20 0 EBADHM CC1(NC(=O)Cn2cncn2)CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001073111797 741562616 /nfs/dbraw/zinc/56/26/16/741562616.db2.gz WDYQKZIDEPTFSF-UHFFFAOYSA-N -1 3 345.363 -0.415 20 0 EBADHM COC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)C(C)(C)C1 ZINC001073426690 741612070 /nfs/dbraw/zinc/61/20/70/741612070.db2.gz HVRRKIKJJKKKMY-SNVBAGLBSA-N -1 3 338.368 -0.482 20 0 EBADHM COCCC(=O)N1CC(N2CCN(C(=O)c3cnc[n-]c3=O)CC2)C1 ZINC001073579410 741665462 /nfs/dbraw/zinc/66/54/62/741665462.db2.gz PMFWTJYZGPFLBK-UHFFFAOYSA-N -1 3 349.391 -0.813 20 0 EBADHM NC(=O)CN1CCCO[C@H](CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001073647703 741694216 /nfs/dbraw/zinc/69/42/16/741694216.db2.gz MDZLPLPLTKYQGK-LLVKDONJSA-N -1 3 349.391 -0.634 20 0 EBADHM CNC(=O)[C@H](C)N1CCCO[C@@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001073654278 741697217 /nfs/dbraw/zinc/69/72/17/741697217.db2.gz DAWSJETWDDVRCO-QWRGUYRKSA-N -1 3 337.380 -0.863 20 0 EBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001073746665 741730165 /nfs/dbraw/zinc/73/01/65/741730165.db2.gz BRVIUMNGAUNMJA-ZWNOBZJWSA-N -1 3 349.391 -0.373 20 0 EBADHM O=C(NC[C@H]1CN(CCO)CCCO1)c1ccc2oc(=O)nc-2[n-]1 ZINC001073859460 741767881 /nfs/dbraw/zinc/76/78/81/741767881.db2.gz LAMHNFBHIWKSLQ-JTQLQIEISA-N -1 3 336.348 -0.259 20 0 EBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](C)C1 ZINC001074049783 741819750 /nfs/dbraw/zinc/81/97/50/741819750.db2.gz RYDDMNIGLPCPBP-ONGXEEELSA-N -1 3 336.396 -0.314 20 0 EBADHM C[C@H]1CN(C(=O)CCCCC(N)=O)CC[C@@H]1NC(=O)c1cn[n-]n1 ZINC001074049438 741819870 /nfs/dbraw/zinc/81/98/70/741819870.db2.gz PFHYVDNOSASAHJ-QWRGUYRKSA-N -1 3 336.396 -0.183 20 0 EBADHM CNC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](C)C1 ZINC001074049477 741819964 /nfs/dbraw/zinc/81/99/64/741819964.db2.gz PUDDYYONYGHURF-MNOVXSKESA-N -1 3 336.396 -0.312 20 0 EBADHM O=C(NCC1(O)CCN(C(=O)c2cnc[n-]c2=O)CC1)c1ccc[nH]1 ZINC001074623757 742030703 /nfs/dbraw/zinc/03/07/03/742030703.db2.gz RQNTYLRRWPZRFB-UHFFFAOYSA-N -1 3 345.359 -0.093 20 0 EBADHM C[C@H]1C[C@@H]1C(=O)NCC1(O)CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001074623536 742030770 /nfs/dbraw/zinc/03/07/70/742030770.db2.gz MFWCRESFGPWOHJ-QWRGUYRKSA-N -1 3 334.376 -0.079 20 0 EBADHM C[C@H](N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H]1C)c1nnnn1C ZINC001074701686 742077188 /nfs/dbraw/zinc/07/71/88/742077188.db2.gz DQQYPBTYZBBJBU-QXEWZRGKSA-N -1 3 332.368 -0.341 20 0 EBADHM CNC(=O)CC(=O)N[C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@@H](C)C1 ZINC001074952231 742143689 /nfs/dbraw/zinc/14/36/89/742143689.db2.gz AKMCJVZSNCLFDA-ONGXEEELSA-N -1 3 349.391 -0.264 20 0 EBADHM CCCC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)C[C@H]1C ZINC001075057519 742170627 /nfs/dbraw/zinc/17/06/27/742170627.db2.gz IDBBLJJXTFLXJZ-GHMZBOCLSA-N -1 3 336.396 -0.170 20 0 EBADHM C[C@@H](N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C)c1cnccn1 ZINC001075069024 742173286 /nfs/dbraw/zinc/17/32/86/742173286.db2.gz YOJHRHWDYKZPIY-VWYCJHECSA-N -1 3 347.379 -0.181 20 0 EBADHM Cc1n[nH]nc1C(=O)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001075312038 742210390 /nfs/dbraw/zinc/21/03/90/742210390.db2.gz CGSUWCVFBNTREM-WCBMZHEXSA-N -1 3 334.384 -0.175 20 0 EBADHM CC(=O)N[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001075507737 742237578 /nfs/dbraw/zinc/23/75/78/742237578.db2.gz ZXHNPXOTYVNBKE-WCBMZHEXSA-N -1 3 337.380 -0.360 20 0 EBADHM C[C@@H](CCNC(=O)c1ccccc1[O-])NC(=O)CN1C(=O)CNC1=O ZINC001075674594 742269401 /nfs/dbraw/zinc/26/94/01/742269401.db2.gz OMEYLLBFQHWIOQ-JTQLQIEISA-N -1 3 348.359 -0.431 20 0 EBADHM C[C@@H](CCNC(=O)CNC(=O)C1CC1)NC(=O)c1cnc[n-]c1=O ZINC001075743027 742287037 /nfs/dbraw/zinc/28/70/37/742287037.db2.gz ZFVRASUQLITGFI-VIFPVBQESA-N -1 3 335.364 -0.667 20 0 EBADHM COC(=O)NCC(=O)NCC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001075763584 742294057 /nfs/dbraw/zinc/29/40/57/742294057.db2.gz HZCRJICWRJHGGD-VIFPVBQESA-N -1 3 348.363 -0.062 20 0 EBADHM C[C@@H](CCNC(=O)[C@H]1CN(C)CCO1)NC(=O)c1cnc[n-]c1=O ZINC001076028554 742365362 /nfs/dbraw/zinc/36/53/62/742365362.db2.gz GRXPWPRYRLKJRG-CMPLNLGQSA-N -1 3 337.380 -0.863 20 0 EBADHM C[C@H](C(=O)NCC[C@H](C)NC(=O)c1cnc[n-]c1=O)n1cncn1 ZINC001076202935 742402699 /nfs/dbraw/zinc/40/26/99/742402699.db2.gz DXZUYZIAEXNIQT-VHSXEESVSA-N -1 3 333.352 -0.341 20 0 EBADHM COc1cncc(C(=O)NCC[C@H](C)NC(=O)c2cnc[n-]c2=O)n1 ZINC001076498526 742481223 /nfs/dbraw/zinc/48/12/23/742481223.db2.gz WNNALJAROBHMSY-VIFPVBQESA-N -1 3 346.347 -0.081 20 0 EBADHM C[C@@H](CCNC(=O)C[C@H](C)NC(N)=O)NC(=O)c1cnc[n-]c1=O ZINC001076518830 742488235 /nfs/dbraw/zinc/48/82/35/742488235.db2.gz ZLRSHMGULBFTPX-IUCAKERBSA-N -1 3 338.368 -0.746 20 0 EBADHM C[C@@H](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NC(=O)c1ccccc1[O-] ZINC001076541384 742492599 /nfs/dbraw/zinc/49/25/99/742492599.db2.gz YNDWPLYCKCANOP-ONGXEEELSA-N -1 3 348.359 -0.385 20 0 EBADHM C[C@@H](CCNC(=O)c1cccc2n[n-]nc21)NC(=O)[C@H]1CCNC1=O ZINC001076662171 742527668 /nfs/dbraw/zinc/52/76/68/742527668.db2.gz XKUFXTMNPVQFOA-ONGXEEELSA-N -1 3 344.375 -0.281 20 0 EBADHM C[C@@H](CCNC(=O)Cn1nccn1)NC(=O)c1cccc2n[n-]nc21 ZINC001076694908 742535062 /nfs/dbraw/zinc/53/50/62/742535062.db2.gz DXZUMBXJZYAVDZ-JTQLQIEISA-N -1 3 342.363 -0.126 20 0 EBADHM C[C@@H](CCNC(=O)CCn1ccccc1=O)NC(=O)c1cn[n-]n1 ZINC001076896496 742627793 /nfs/dbraw/zinc/62/77/93/742627793.db2.gz JPVLYNMMAGFLAR-NSHDSACASA-N -1 3 332.364 -0.319 20 0 EBADHM C[C@@H](CCNC(=O)c1cnn2ncccc12)NC(=O)c1cn[n-]n1 ZINC001077027162 742702500 /nfs/dbraw/zinc/70/25/00/742702500.db2.gz AMJSDUBFWZUTGE-VIFPVBQESA-N -1 3 328.336 -0.214 20 0 EBADHM Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3cccc4n[n-]nc43)C2)o1 ZINC001077048645 742710405 /nfs/dbraw/zinc/71/04/05/742710405.db2.gz BAPGOYZJURWXKU-VXGBXAGGSA-N -1 3 343.347 -0.376 20 0 EBADHM C[C@@H](CCNC(=O)c1cnc[n-]c1=O)NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001077077182 742719447 /nfs/dbraw/zinc/71/94/47/742719447.db2.gz LNVTVKSTYWMFGT-GARJFASQSA-N -1 3 349.391 -0.469 20 0 EBADHM C[C@@H](CCNC(=O)c1cnc[n-]c1=O)NC(=O)c1ccc(C(N)=O)o1 ZINC001077077115 742719557 /nfs/dbraw/zinc/71/95/57/742719557.db2.gz IXHKVFZCPSRJQE-QMMMGPOBSA-N -1 3 347.331 -0.188 20 0 EBADHM C[C@@H](CCNC(=O)c1cnc[n-]c1=O)NC(=O)[C@H](C)S(C)(=O)=O ZINC001077078163 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Cn1ccc(CC(=O)N[C@@H]2CCC[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC000983597773 807051529 /nfs/dbraw/zinc/05/15/29/807051529.db2.gz JYHWRZLTUUXKJB-MNOVXSKESA-N -1 3 331.380 -0.062 20 0 EBADHM Cn1cnc(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3cn[n-]n3)C2)cc1=O ZINC000983638035 807064085 /nfs/dbraw/zinc/06/40/85/807064085.db2.gz BBZMAEMBLVHZDK-VHSXEESVSA-N -1 3 345.363 -0.631 20 0 EBADHM NC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000983642650 807066915 /nfs/dbraw/zinc/06/69/15/807066915.db2.gz YJRBKCILOYBSJH-NXEZZACHSA-N -1 3 347.375 -0.298 20 0 EBADHM O=C(N[C@H]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1)c1cn[n-]n1 ZINC000983657934 807071644 /nfs/dbraw/zinc/07/16/44/807071644.db2.gz MYPQRLSXVJQABR-ZJUUUORDSA-N -1 3 348.363 -0.985 20 0 EBADHM CC(=O)NCc1nc(CNC(=O)c2ccn(C)c(=O)c2)cc(=O)[n-]1 ZINC000984120048 807169854 /nfs/dbraw/zinc/16/98/54/807169854.db2.gz HYUVAYXSXSIOJL-UHFFFAOYSA-N -1 3 331.332 -0.553 20 0 EBADHM CC(=O)NCc1nc(CNC(=O)[C@H]2CCc3c[nH]nc3C2)cc(=O)[n-]1 ZINC000984120936 807170948 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343.351 -0.525 20 0 EBADHM Cc1cc(CC(=O)N[C@H]2C[C@H](CNCc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC000984308066 807253753 /nfs/dbraw/zinc/25/37/53/807253753.db2.gz YCZVMHHQKYXORV-XYPYZODXSA-N -1 3 333.396 -0.221 20 0 EBADHM CN(C(=O)c1nc[nH]n1)[C@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC000984332048 807259920 /nfs/dbraw/zinc/25/99/20/807259920.db2.gz GVWLBQKLPOBCDJ-VIFPVBQESA-N -1 3 331.336 -0.323 20 0 EBADHM CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC000984332013 807259964 /nfs/dbraw/zinc/25/99/64/807259964.db2.gz GPVFWAQBCHNNTD-PWSUYJOCSA-N -1 3 347.375 -0.476 20 0 EBADHM CN(C(=O)c1ncn(C)n1)[C@@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC000984336434 807260880 /nfs/dbraw/zinc/26/08/80/807260880.db2.gz XAYXUGVBYBNWNM-SNVBAGLBSA-N -1 3 345.363 -0.313 20 0 EBADHM COc1cc(=O)[nH]cc1C(=O)N[C@H]1C[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC000984817405 807393622 /nfs/dbraw/zinc/39/36/22/807393622.db2.gz AEKNWBKYSQUFNK-KYZUINATSA-N -1 3 348.363 -0.082 20 0 EBADHM CC[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1C(=O)c1cnc[n-]c1=O ZINC000984831331 807397064 /nfs/dbraw/zinc/39/70/64/807397064.db2.gz HENVYZNIZHDVRR-HBNTYKKESA-N -1 3 349.347 -0.600 20 0 EBADHM CC[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1C(=O)c1cnc[n-]c1=O ZINC000984831329 807397353 /nfs/dbraw/zinc/39/73/53/807397353.db2.gz HENVYZNIZHDVRR-GARJFASQSA-N -1 3 349.347 -0.600 20 0 EBADHM COc1c(C(=O)N[C@H]2C[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c(C)nn1C ZINC000984876740 807404490 /nfs/dbraw/zinc/40/44/90/807404490.db2.gz VAMGMGZWKQGYKQ-MGCOHNPYSA-N -1 3 349.395 -0.141 20 0 EBADHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)Cc1nnc[nH]1 ZINC000985029188 807428978 /nfs/dbraw/zinc/42/89/78/807428978.db2.gz KELXGJGLRGXXDP-WDEREUQCSA-N -1 3 345.363 -0.348 20 0 EBADHM Cn1cccc(C(=O)N[C@H]2C[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c1=O ZINC000985046427 807431638 /nfs/dbraw/zinc/43/16/38/807431638.db2.gz HJRYSVXNSSJWOG-MGCOHNPYSA-N -1 3 332.364 -0.493 20 0 EBADHM C[C@H](NC[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)c1ncccn1 ZINC000985075285 807436730 /nfs/dbraw/zinc/43/67/30/807436730.db2.gz GPBJEXYMMPBSIT-DCAQKATOSA-N -1 3 347.379 -0.275 20 0 EBADHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)c1cnn(CC)n1 ZINC000985100741 807443121 /nfs/dbraw/zinc/44/31/21/807443121.db2.gz OQAIYHWXYBYRNR-JOYOIKCWSA-N -1 3 332.368 -0.161 20 0 EBADHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000985102676 807443978 /nfs/dbraw/zinc/44/39/78/807443978.db2.gz HPNXJNFHBTUQHH-MPPDQPJWSA-N -1 3 348.407 -0.362 20 0 EBADHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC000985102667 807444036 /nfs/dbraw/zinc/44/40/36/807444036.db2.gz HBPJUTKSEVJHSC-QPUJVOFHSA-N -1 3 345.363 -0.345 20 0 EBADHM Cc1ncncc1C(=O)N1CCC(N(C)Cc2nc(=O)n(C)[n-]2)CC1 ZINC000985297216 807481483 /nfs/dbraw/zinc/48/14/83/807481483.db2.gz OGVOSTWEJZHASP-UHFFFAOYSA-N -1 3 345.407 -0.057 20 0 EBADHM CC[C@H](OC)C(=O)N1CCC(N(C)Cc2nc(=O)n(C)[n-]2)CC1 ZINC000985320217 807484700 /nfs/dbraw/zinc/48/47/00/807484700.db2.gz RLMZUOMURTYGIM-LBPRGKRZSA-N -1 3 325.413 -0.044 20 0 EBADHM CN(Cc1nc(=O)n(C)[n-]1)C1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000985331205 807485983 /nfs/dbraw/zinc/48/59/83/807485983.db2.gz STOJLCGYBPQFJF-GFCCVEGCSA-N -1 3 337.424 -0.042 20 0 EBADHM CN(Cc1nc(=O)n(C)[n-]1)C1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000985347033 807488218 /nfs/dbraw/zinc/48/82/18/807488218.db2.gz SXBKUSGNLCPIBM-GFCCVEGCSA-N -1 3 337.424 -0.042 20 0 EBADHM CN(Cc1nc(=O)n(C)[n-]1)C1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC000985369216 807494490 /nfs/dbraw/zinc/49/44/90/807494490.db2.gz ZCPNFOMUFQJFGY-UHFFFAOYSA-N -1 3 346.391 -0.054 20 0 EBADHM CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1C(=O)c1cnc[n-]c1=O ZINC000985503940 807523854 /nfs/dbraw/zinc/52/38/54/807523854.db2.gz ZYHPVCORWCHUFR-LLHIFLOGSA-N -1 3 347.375 -0.587 20 0 EBADHM C[C@H]1[C@@H](NCc2nc(=O)n(C)[n-]2)CCN1C(=O)c1cc[n+]([O-])cc1 ZINC000985922893 807608497 /nfs/dbraw/zinc/60/84/97/807608497.db2.gz QHFQCYODDKOYOX-JQWIXIFHSA-N -1 3 332.364 -0.865 20 0 EBADHM 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345.344 -0.266 20 0 EBADHM C[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574947789 949452795 /nfs/dbraw/zinc/45/27/95/949452795.db2.gz DGRHASDMIBWKIP-VIFPVBQESA-N -1 3 343.351 -0.674 20 0 EBADHM C[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574947789 949452805 /nfs/dbraw/zinc/45/28/05/949452805.db2.gz DGRHASDMIBWKIP-VIFPVBQESA-N -1 3 343.351 -0.674 20 0 EBADHM C[C@H](CNC(=O)Cn1cnnn1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574948248 949458147 /nfs/dbraw/zinc/45/81/47/949458147.db2.gz HBJGVUJULXYPNZ-VIFPVBQESA-N -1 3 343.355 -0.887 20 0 EBADHM C[C@H](CNC(=O)Cn1cnnn1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574948248 949458165 /nfs/dbraw/zinc/45/81/65/949458165.db2.gz HBJGVUJULXYPNZ-VIFPVBQESA-N -1 3 343.355 -0.887 20 0 EBADHM CC(C)CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574117522 949473442 /nfs/dbraw/zinc/47/34/42/949473442.db2.gz WKUVEXOAOXLQKK-SECBINFHSA-N -1 3 335.368 -0.552 20 0 EBADHM CC(C)CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574117522 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O=C(COc1ccccc1-c1nnn[n-]1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823050203 583823487 /nfs/dbraw/zinc/82/34/87/583823487.db2.gz RTAAVWIFALDKSM-JTQLQIEISA-N -1 3 344.331 -0.092 20 0 EBADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823050203 583823488 /nfs/dbraw/zinc/82/34/88/583823488.db2.gz RTAAVWIFALDKSM-JTQLQIEISA-N -1 3 344.331 -0.092 20 0 EBADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000823078857 583823766 /nfs/dbraw/zinc/82/37/66/583823766.db2.gz VKXHPQITKUDSBL-LBPRGKRZSA-N -1 3 327.348 -0.355 20 0 EBADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000823078857 583823767 /nfs/dbraw/zinc/82/37/67/583823767.db2.gz VKXHPQITKUDSBL-LBPRGKRZSA-N -1 3 327.348 -0.355 20 0 EBADHM O=C(NC[C@H](O)C1CC1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823166459 583825923 /nfs/dbraw/zinc/82/59/23/583825923.db2.gz LIHRJAMLQXZXOZ-NSHDSACASA-N -1 3 334.311 -0.169 20 0 EBADHM O=C(NC[C@H](O)C1CC1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823166459 583825924 /nfs/dbraw/zinc/82/59/24/583825924.db2.gz LIHRJAMLQXZXOZ-NSHDSACASA-N -1 3 334.311 -0.169 20 0 EBADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)[C@@H](O)C1CCOCC1 ZINC000823202624 583826714 /nfs/dbraw/zinc/82/67/14/583826714.db2.gz YJUSHBBRMNPHCN-ZDUSSCGKSA-N -1 3 347.379 -0.423 20 0 EBADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)[C@@H](O)C1CCOCC1 ZINC000823202624 583826716 /nfs/dbraw/zinc/82/67/16/583826716.db2.gz YJUSHBBRMNPHCN-ZDUSSCGKSA-N -1 3 347.379 -0.423 20 0 EBADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N(CCO)C1CC1 ZINC000823337072 583828493 /nfs/dbraw/zinc/82/84/93/583828493.db2.gz GDMWAVOTRGOJEN-UHFFFAOYSA-N -1 3 334.311 -0.072 20 0 EBADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N(CCO)C1CC1 ZINC000823337072 583828496 /nfs/dbraw/zinc/82/84/96/583828496.db2.gz GDMWAVOTRGOJEN-UHFFFAOYSA-N -1 3 334.311 -0.072 20 0 EBADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000823466209 583829962 /nfs/dbraw/zinc/82/99/62/583829962.db2.gz GPZGXTUCERQGLY-CHWSQXEVSA-N -1 3 331.380 -0.134 20 0 EBADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000823466209 583829965 /nfs/dbraw/zinc/82/99/65/583829965.db2.gz GPZGXTUCERQGLY-CHWSQXEVSA-N -1 3 331.380 -0.134 20 0 EBADHM O=C1C[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CN1C1CC1 ZINC000823518901 583830847 /nfs/dbraw/zinc/83/08/47/583830847.db2.gz BIDDKMWJYNBTLQ-SNVBAGLBSA-N -1 3 348.388 -0.092 20 0 EBADHM O=C1C[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CN1C1CC1 ZINC000823518901 583830849 /nfs/dbraw/zinc/83/08/49/583830849.db2.gz BIDDKMWJYNBTLQ-SNVBAGLBSA-N -1 3 348.388 -0.092 20 0 EBADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCC(=O)NC1=O ZINC000823525491 583830948 /nfs/dbraw/zinc/83/09/48/583830948.db2.gz OVYSAEKCGHAFHC-JTQLQIEISA-N -1 3 330.304 -0.833 20 0 EBADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCC(=O)NC1=O ZINC000823525491 583830949 /nfs/dbraw/zinc/83/09/49/583830949.db2.gz OVYSAEKCGHAFHC-JTQLQIEISA-N -1 3 330.304 -0.833 20 0 EBADHM O=C1NC[C@@H]2CN(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CCN12 ZINC000823540491 583831586 /nfs/dbraw/zinc/83/15/86/583831586.db2.gz GTXHTLKTPKXHNM-CHWSQXEVSA-N -1 3 329.364 -0.391 20 0 EBADHM O=C1NC[C@@H]2CN(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CCN12 ZINC000823540491 583831589 /nfs/dbraw/zinc/83/15/89/583831589.db2.gz GTXHTLKTPKXHNM-CHWSQXEVSA-N -1 3 329.364 -0.391 20 0 EBADHM O=C1NC[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3)CCN2C1=O ZINC000823540495 583831606 /nfs/dbraw/zinc/83/16/06/583831606.db2.gz GVMNUHRXDJJXFA-GFCCVEGCSA-N -1 3 327.348 -0.991 20 0 EBADHM O=C1NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)CCN2C1=O ZINC000823540495 583831608 /nfs/dbraw/zinc/83/16/08/583831608.db2.gz GVMNUHRXDJJXFA-GFCCVEGCSA-N -1 3 327.348 -0.991 20 0 EBADHM O=C1[C@@H](N2CCNC(=O)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823536184 583831749 /nfs/dbraw/zinc/83/17/49/583831749.db2.gz UZGWAQMZCGXCDR-VIFPVBQESA-N -1 3 333.377 -0.535 20 0 EBADHM O=C1[C@@H](N2CCNC(=O)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823536184 583831752 /nfs/dbraw/zinc/83/17/52/583831752.db2.gz UZGWAQMZCGXCDR-VIFPVBQESA-N -1 3 333.377 -0.535 20 0 EBADHM O=C1NC[C@H]2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CCN2C1=O ZINC000823541066 583831792 /nfs/dbraw/zinc/83/17/92/583831792.db2.gz LYZUOALNQMJELL-JTQLQIEISA-N -1 3 345.338 -0.852 20 0 EBADHM O=C1NC[C@H]2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CCN2C1=O ZINC000823541066 583831793 /nfs/dbraw/zinc/83/17/93/583831793.db2.gz LYZUOALNQMJELL-JTQLQIEISA-N -1 3 345.338 -0.852 20 0 EBADHM O=C1NC[C@@H]2CN(c3ccc(F)cc3-c3nnn[n-]3)CCN2C1=O ZINC000823547379 583832375 /nfs/dbraw/zinc/83/23/75/583832375.db2.gz JLUBEAGOJMSYHU-SECBINFHSA-N -1 3 331.311 -0.847 20 0 EBADHM O=C1NC[C@@H]2CN(c3ccc(F)cc3-c3nn[n-]n3)CCN2C1=O ZINC000823547379 583832376 /nfs/dbraw/zinc/83/23/76/583832376.db2.gz JLUBEAGOJMSYHU-SECBINFHSA-N -1 3 331.311 -0.847 20 0 EBADHM O=C1NC[C@H]2CN(c3ccc(-c4nnn[n-]4)cc3F)CCN2C1=O ZINC000823546370 583832424 /nfs/dbraw/zinc/83/24/24/583832424.db2.gz BUZRZHOCCMLAKI-VIFPVBQESA-N -1 3 331.311 -0.847 20 0 EBADHM O=C1NC[C@H]2CN(c3ccc(-c4nn[n-]n4)cc3F)CCN2C1=O ZINC000823546370 583832426 /nfs/dbraw/zinc/83/24/26/583832426.db2.gz BUZRZHOCCMLAKI-VIFPVBQESA-N -1 3 331.311 -0.847 20 0 EBADHM CC(=O)N1CCN(C(=O)CN(C)C2CCN(C(=O)[O-])CC2)CC1 ZINC000823557742 583833011 /nfs/dbraw/zinc/83/30/11/583833011.db2.gz ZLECSIUQFVNOMN-UHFFFAOYSA-N -1 3 326.397 -0.249 20 0 EBADHM O=S(=O)(CCCF)NCCNc1ncccc1-c1nnn[n-]1 ZINC000823557594 583833086 /nfs/dbraw/zinc/83/30/86/583833086.db2.gz NJVNFHSABOUDJP-UHFFFAOYSA-N -1 3 329.361 -0.047 20 0 EBADHM O=S(=O)(CCCF)NCCNc1ncccc1-c1nn[n-]n1 ZINC000823557594 583833088 /nfs/dbraw/zinc/83/30/88/583833088.db2.gz NJVNFHSABOUDJP-UHFFFAOYSA-N -1 3 329.361 -0.047 20 0 EBADHM O=S(=O)(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCOCC1 ZINC000823589164 583834765 /nfs/dbraw/zinc/83/47/65/583834765.db2.gz QRXVTSXPSKXNHW-UHFFFAOYSA-N -1 3 328.329 -0.005 20 0 EBADHM O=S(=O)(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCOCC1 ZINC000823589164 583834766 /nfs/dbraw/zinc/83/47/66/583834766.db2.gz QRXVTSXPSKXNHW-UHFFFAOYSA-N -1 3 328.329 -0.005 20 0 EBADHM OCC1(CN2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)COC1 ZINC000823714605 583835879 /nfs/dbraw/zinc/83/58/79/583835879.db2.gz NRKTURRTZFVIIV-UHFFFAOYSA-N -1 3 344.419 -0.007 20 0 EBADHM OCC1(CN2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)COC1 ZINC000823714605 583835881 /nfs/dbraw/zinc/83/58/81/583835881.db2.gz NRKTURRTZFVIIV-UHFFFAOYSA-N -1 3 344.419 -0.007 20 0 EBADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@@H](NC(N)=O)C1 ZINC000824045218 583840699 /nfs/dbraw/zinc/84/06/99/583840699.db2.gz JFZCWJGGTITRSZ-VHSXEESVSA-N -1 3 344.379 -0.064 20 0 EBADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@@H](NC(N)=O)C1 ZINC000824045218 583840700 /nfs/dbraw/zinc/84/07/00/583840700.db2.gz JFZCWJGGTITRSZ-VHSXEESVSA-N -1 3 344.379 -0.064 20 0 EBADHM CC(C)[C@H]1C(=O)NCCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000824214801 583842284 /nfs/dbraw/zinc/84/22/84/583842284.db2.gz IERMEKOOVOIALO-ZDUSSCGKSA-N -1 3 344.379 -0.343 20 0 EBADHM CC(C)[C@H]1C(=O)NCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000824214801 583842285 /nfs/dbraw/zinc/84/22/85/583842285.db2.gz IERMEKOOVOIALO-ZDUSSCGKSA-N -1 3 344.379 -0.343 20 0 EBADHM C[C@@H](CNC(=O)COc1ccccc1-c1nnn[n-]1)S(N)(=O)=O ZINC000824420948 583845184 /nfs/dbraw/zinc/84/51/84/583845184.db2.gz QTWWXNLNKOXGPS-QMMMGPOBSA-N -1 3 340.365 -0.961 20 0 EBADHM C[C@@H](CNC(=O)COc1ccccc1-c1nn[n-]n1)S(N)(=O)=O ZINC000824420948 583845186 /nfs/dbraw/zinc/84/51/86/583845186.db2.gz QTWWXNLNKOXGPS-QMMMGPOBSA-N -1 3 340.365 -0.961 20 0 EBADHM CC(CO)(CO)C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824435877 583846050 /nfs/dbraw/zinc/84/60/50/583846050.db2.gz PYQJCKYPXBMAFQ-UHFFFAOYSA-N -1 3 349.347 -0.983 20 0 EBADHM CC(CO)(CO)C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824435877 583846053 /nfs/dbraw/zinc/84/60/53/583846053.db2.gz PYQJCKYPXBMAFQ-UHFFFAOYSA-N -1 3 349.347 -0.983 20 0 EBADHM C[C@H](CS(C)(=O)=O)NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824450289 583846409 /nfs/dbraw/zinc/84/64/09/583846409.db2.gz UKKORMSPNCBVTQ-KCJUWKMLSA-N -1 3 339.377 -0.551 20 0 EBADHM C[C@H](CS(C)(=O)=O)NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824450289 583846412 /nfs/dbraw/zinc/84/64/12/583846412.db2.gz UKKORMSPNCBVTQ-KCJUWKMLSA-N -1 3 339.377 -0.551 20 0 EBADHM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824449868 583846418 /nfs/dbraw/zinc/84/64/18/583846418.db2.gz PSAHMJMWJHGBNQ-FHZGZLOMSA-N -1 3 329.407 -0.088 20 0 EBADHM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824449868 583846420 /nfs/dbraw/zinc/84/64/20/583846420.db2.gz PSAHMJMWJHGBNQ-FHZGZLOMSA-N -1 3 329.407 -0.088 20 0 EBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000824650857 583848212 /nfs/dbraw/zinc/84/82/12/583848212.db2.gz VBADLPIVWOKWQS-MRVPVSSYSA-N -1 3 325.350 -0.152 20 0 EBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000824650857 583848213 /nfs/dbraw/zinc/84/82/13/583848213.db2.gz VBADLPIVWOKWQS-MRVPVSSYSA-N -1 3 325.350 -0.152 20 0 EBADHM C[C@@H](NS(C)(=O)=O)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824650609 583848236 /nfs/dbraw/zinc/84/82/36/583848236.db2.gz TUECTNMOJLDJSE-MRVPVSSYSA-N -1 3 336.377 -0.307 20 0 EBADHM 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COC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)OC ZINC000826150065 583883877 /nfs/dbraw/zinc/88/38/77/583883877.db2.gz VKMKSSFOLXZCLH-GXSJLCMTSA-N -1 3 349.347 -0.062 20 0 EBADHM COC[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC000826151292 583884256 /nfs/dbraw/zinc/88/42/56/583884256.db2.gz YMLGETLVGZJDEI-LLVKDONJSA-N -1 3 335.320 -0.450 20 0 EBADHM COC[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC000826151292 583884258 /nfs/dbraw/zinc/88/42/58/583884258.db2.gz YMLGETLVGZJDEI-LLVKDONJSA-N -1 3 335.320 -0.450 20 0 EBADHM COC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826151538 583884324 /nfs/dbraw/zinc/88/43/24/583884324.db2.gz CXHBOZRSKDUXQL-JTQLQIEISA-N -1 3 327.366 -0.539 20 0 EBADHM COC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826151538 583884326 /nfs/dbraw/zinc/88/43/26/583884326.db2.gz CXHBOZRSKDUXQL-JTQLQIEISA-N -1 3 327.366 -0.539 20 0 EBADHM COC[C@H](O)C(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000826152234 583884481 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COC[C@H](O)CCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826152288 583884986 /nfs/dbraw/zinc/88/49/86/583884986.db2.gz VCDOYWHVSZXREH-GFCCVEGCSA-N -1 3 341.393 -0.317 20 0 EBADHM COC[C@H](O)CCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826152288 583884988 /nfs/dbraw/zinc/88/49/88/583884988.db2.gz VCDOYWHVSZXREH-GFCCVEGCSA-N -1 3 341.393 -0.317 20 0 EBADHM COC[C@@H](O)C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826152240 583885196 /nfs/dbraw/zinc/88/51/96/583885196.db2.gz UDZRMXDFLBERPM-LLVKDONJSA-N -1 3 335.320 -0.967 20 0 EBADHM COC[C@@H](O)C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826152240 583885199 /nfs/dbraw/zinc/88/51/99/583885199.db2.gz UDZRMXDFLBERPM-LLVKDONJSA-N -1 3 335.320 -0.967 20 0 EBADHM COCCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000826159538 583885783 /nfs/dbraw/zinc/88/57/83/583885783.db2.gz JEMYXISHHMDPDC-UHFFFAOYSA-N -1 3 330.348 -0.203 20 0 EBADHM COCCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000826159538 583885784 /nfs/dbraw/zinc/88/57/84/583885784.db2.gz JEMYXISHHMDPDC-UHFFFAOYSA-N -1 3 330.348 -0.203 20 0 EBADHM COCCN1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC000826159808 583885821 /nfs/dbraw/zinc/88/58/21/583885821.db2.gz SVPBVIGVQNMXGE-SNVBAGLBSA-N -1 3 349.395 -0.115 20 0 EBADHM COCCN1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC000826159808 583885822 /nfs/dbraw/zinc/88/58/22/583885822.db2.gz SVPBVIGVQNMXGE-SNVBAGLBSA-N -1 3 349.395 -0.115 20 0 EBADHM COCCN1CCC(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000826159564 583886037 /nfs/dbraw/zinc/88/60/37/583886037.db2.gz KCXVOJOPZJPEEU-UHFFFAOYSA-N -1 3 349.395 -0.067 20 0 EBADHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)C(=O)NC(N)=O ZINC000826162115 583886461 /nfs/dbraw/zinc/88/64/61/583886461.db2.gz NZIJORWBUFOHIO-QMMMGPOBSA-N -1 3 349.351 -0.113 20 0 EBADHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)C(=O)NC(N)=O ZINC000826162115 583886462 /nfs/dbraw/zinc/88/64/62/583886462.db2.gz NZIJORWBUFOHIO-QMMMGPOBSA-N -1 3 349.351 -0.113 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN(CC(N)=O)CC1 ZINC000826168927 583886829 /nfs/dbraw/zinc/88/68/29/583886829.db2.gz CJMWMUCKAUVHSJ-UHFFFAOYSA-N -1 3 331.380 -0.522 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(CC(N)=O)CC1 ZINC000826168927 583886830 /nfs/dbraw/zinc/88/68/30/583886830.db2.gz CJMWMUCKAUVHSJ-UHFFFAOYSA-N -1 3 331.380 -0.522 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NN1CCCNC1=O ZINC000826174555 583886870 /nfs/dbraw/zinc/88/68/70/583886870.db2.gz BIVJCFJNUYFOKT-UHFFFAOYSA-N -1 3 347.335 -0.299 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NN1CCCNC1=O ZINC000826174555 583886872 /nfs/dbraw/zinc/88/68/72/583886872.db2.gz BIVJCFJNUYFOKT-UHFFFAOYSA-N -1 3 347.335 -0.299 20 0 EBADHM COc1ccc(CN2CC[C@@H](S(N)(=O)=O)C2)cc1-c1nnn[n-]1 ZINC000826194292 583887135 /nfs/dbraw/zinc/88/71/35/583887135.db2.gz HZXDIVGTPDUGRK-SNVBAGLBSA-N -1 3 338.393 -0.262 20 0 EBADHM COc1ccc(CN2CC[C@@H](S(N)(=O)=O)C2)cc1-c1nn[n-]n1 ZINC000826194292 583887137 /nfs/dbraw/zinc/88/71/37/583887137.db2.gz HZXDIVGTPDUGRK-SNVBAGLBSA-N -1 3 338.393 -0.262 20 0 EBADHM COc1ccc(CNC(=O)[C@@H]2CN(C)CCO2)cc1-c1nnn[n-]1 ZINC000826196909 583887671 /nfs/dbraw/zinc/88/76/71/583887671.db2.gz SBLLURYDHOVMMN-ZDUSSCGKSA-N -1 3 332.364 -0.178 20 0 EBADHM COc1ccc(CNC(=O)[C@@H]2CN(C)CCO2)cc1-c1nn[n-]n1 ZINC000826196909 583887672 /nfs/dbraw/zinc/88/76/72/583887672.db2.gz SBLLURYDHOVMMN-ZDUSSCGKSA-N -1 3 332.364 -0.178 20 0 EBADHM COc1ccc(CNC(=O)NCCNC(C)=O)cc1-c1nnn[n-]1 ZINC000826200108 583887796 /nfs/dbraw/zinc/88/77/96/583887796.db2.gz YSIZOIZCGUAEAY-UHFFFAOYSA-N -1 3 333.352 -0.189 20 0 EBADHM COc1ccc(CNC(=O)NCCNC(C)=O)cc1-c1nn[n-]n1 ZINC000826200108 583887798 /nfs/dbraw/zinc/88/77/98/583887798.db2.gz YSIZOIZCGUAEAY-UHFFFAOYSA-N -1 3 333.352 -0.189 20 0 EBADHM CS(=O)(=O)CCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826222904 583888038 /nfs/dbraw/zinc/88/80/38/583888038.db2.gz SABMOOUXWHVRTE-JTQLQIEISA-N -1 3 325.350 -0.939 20 0 EBADHM CS(=O)(=O)CCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826222904 583888040 /nfs/dbraw/zinc/88/80/40/583888040.db2.gz SABMOOUXWHVRTE-JTQLQIEISA-N -1 3 325.350 -0.939 20 0 EBADHM CS(=O)(=O)CCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826223048 583888228 /nfs/dbraw/zinc/88/82/28/583888228.db2.gz ZFWVYCLFOZGBQK-UHFFFAOYSA-N -1 3 345.406 -0.420 20 0 EBADHM CS(=O)(=O)CCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826223048 583888230 /nfs/dbraw/zinc/88/82/30/583888230.db2.gz ZFWVYCLFOZGBQK-UHFFFAOYSA-N -1 3 345.406 -0.420 20 0 EBADHM COc1ccc(CNC(=S)NCC(=O)N(C)C)cc1-c1nnn[n-]1 ZINC000826202288 583888270 /nfs/dbraw/zinc/88/82/70/583888270.db2.gz UZKBFAXIPORYSD-UHFFFAOYSA-N -1 3 349.420 -0.072 20 0 EBADHM COc1ccc(CNC(=S)NCC(=O)N(C)C)cc1-c1nn[n-]n1 ZINC000826202288 583888271 /nfs/dbraw/zinc/88/82/71/583888271.db2.gz UZKBFAXIPORYSD-UHFFFAOYSA-N -1 3 349.420 -0.072 20 0 EBADHM Cc1c(NC(=O)NC[C@H](C)S(N)(=O)=O)cccc1-c1nnn[n-]1 ZINC000826241407 583889588 /nfs/dbraw/zinc/88/95/88/583889588.db2.gz CGULCAIAEXTIBO-ZETCQYMHSA-N -1 3 339.381 -0.026 20 0 EBADHM Cc1c(NC(=O)NC[C@H](C)S(N)(=O)=O)cccc1-c1nn[n-]n1 ZINC000826241407 583889590 /nfs/dbraw/zinc/88/95/90/583889590.db2.gz CGULCAIAEXTIBO-ZETCQYMHSA-N -1 3 339.381 -0.026 20 0 EBADHM Cc1c(NC(=O)NCCS(N)(=O)=O)cccc1-c1nnn[n-]1 ZINC000826241816 583889624 /nfs/dbraw/zinc/88/96/24/583889624.db2.gz PRAQSNMOPVGXQW-UHFFFAOYSA-N -1 3 325.354 -0.415 20 0 EBADHM Cc1c(NC(=O)NCCS(N)(=O)=O)cccc1-c1nn[n-]n1 ZINC000826241816 583889626 /nfs/dbraw/zinc/88/96/26/583889626.db2.gz PRAQSNMOPVGXQW-UHFFFAOYSA-N -1 3 325.354 -0.415 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCS(N)(=O)=O ZINC000826277692 583890450 /nfs/dbraw/zinc/89/04/50/583890450.db2.gz DCZJHSXOWFKALR-UHFFFAOYSA-N -1 3 325.354 -0.415 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCS(N)(=O)=O ZINC000826277692 583890452 /nfs/dbraw/zinc/89/04/52/583890452.db2.gz DCZJHSXOWFKALR-UHFFFAOYSA-N -1 3 325.354 -0.415 20 0 EBADHM Cc1nc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)no1 ZINC000826323614 583891249 /nfs/dbraw/zinc/89/12/49/583891249.db2.gz KXBAIMLXVFHBFG-UHFFFAOYSA-N -1 3 341.335 -0.084 20 0 EBADHM 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CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)O1 ZINC000825839541 583867687 /nfs/dbraw/zinc/86/76/87/583867687.db2.gz JNHXOOSJGHEVFZ-KCJUWKMLSA-N -1 3 333.352 -0.440 20 0 EBADHM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)O1 ZINC000825839541 583867689 /nfs/dbraw/zinc/86/76/89/583867689.db2.gz JNHXOOSJGHEVFZ-KCJUWKMLSA-N -1 3 333.352 -0.440 20 0 EBADHM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)O1 ZINC000825839025 583867742 /nfs/dbraw/zinc/86/77/42/583867742.db2.gz FCWXWVFSVVPZHS-KOLCDFICSA-N -1 3 333.352 -0.440 20 0 EBADHM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)O1 ZINC000825839025 583867744 /nfs/dbraw/zinc/86/77/44/583867744.db2.gz FCWXWVFSVVPZHS-KOLCDFICSA-N -1 3 333.352 -0.440 20 0 EBADHM CN(C)C(=O)CCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825840947 583868109 /nfs/dbraw/zinc/86/81/09/583868109.db2.gz SAOYWDGWALNWIE-ZDUSSCGKSA-N -1 3 332.364 -0.115 20 0 EBADHM CN(C)C(=O)CCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825840947 583868111 /nfs/dbraw/zinc/86/81/11/583868111.db2.gz SAOYWDGWALNWIE-ZDUSSCGKSA-N -1 3 332.364 -0.115 20 0 EBADHM CN(C)C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000825859101 583868768 /nfs/dbraw/zinc/86/87/68/583868768.db2.gz CRRFYXZHJHYOJJ-SECBINFHSA-N -1 3 335.372 -0.606 20 0 EBADHM CN(C)CC(=O)N1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000825854933 583868776 /nfs/dbraw/zinc/86/87/76/583868776.db2.gz FDPLIOASZNVBNZ-UHFFFAOYSA-N -1 3 330.396 -0.533 20 0 EBADHM CN(C)CC(=O)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000825854933 583868777 /nfs/dbraw/zinc/86/87/77/583868777.db2.gz FDPLIOASZNVBNZ-UHFFFAOYSA-N -1 3 330.396 -0.533 20 0 EBADHM CN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)[C@H]1CCNC1=O ZINC000825892342 583870057 /nfs/dbraw/zinc/87/00/57/583870057.db2.gz KRYKXPFLTYZSBD-LBPRGKRZSA-N -1 3 329.364 -0.697 20 0 EBADHM CN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)[C@H]1CCNC1=O ZINC000825892342 583870060 /nfs/dbraw/zinc/87/00/60/583870060.db2.gz KRYKXPFLTYZSBD-LBPRGKRZSA-N -1 3 329.364 -0.697 20 0 EBADHM CN(CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)C(=O)C1CC1 ZINC000825897975 583870434 /nfs/dbraw/zinc/87/04/34/583870434.db2.gz STNIKURIWLCNCG-UHFFFAOYSA-N -1 3 334.340 -0.943 20 0 EBADHM CN(CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)C(=O)C1CC1 ZINC000825897975 583870435 /nfs/dbraw/zinc/87/04/35/583870435.db2.gz STNIKURIWLCNCG-UHFFFAOYSA-N -1 3 334.340 -0.943 20 0 EBADHM CN(CCS(C)(=O)=O)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825946375 583871853 /nfs/dbraw/zinc/87/18/53/583871853.db2.gz VPUDAOVHEYGQSQ-LLVKDONJSA-N -1 3 339.377 -0.597 20 0 EBADHM CN(CCS(C)(=O)=O)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825946375 583871855 /nfs/dbraw/zinc/87/18/55/583871855.db2.gz VPUDAOVHEYGQSQ-LLVKDONJSA-N -1 3 339.377 -0.597 20 0 EBADHM CN(C[C@H](O)CO)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000825953244 583871913 /nfs/dbraw/zinc/87/19/13/583871913.db2.gz BMGBAANUTUVGBG-LBPRGKRZSA-N -1 3 337.405 -0.089 20 0 EBADHM CN(C[C@H](O)CO)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000825953244 583871914 /nfs/dbraw/zinc/87/19/14/583871914.db2.gz BMGBAANUTUVGBG-LBPRGKRZSA-N -1 3 337.405 -0.089 20 0 EBADHM CN1C(=O)CN(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000826009939 583873646 /nfs/dbraw/zinc/87/36/46/583873646.db2.gz ACOCYSQUQRJCGI-SREVYHEPSA-N -1 3 327.304 -0.195 20 0 EBADHM CN1C(=O)CN(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000826009939 583873648 /nfs/dbraw/zinc/87/36/48/583873648.db2.gz ACOCYSQUQRJCGI-SREVYHEPSA-N -1 3 327.304 -0.195 20 0 EBADHM CN1C(=O)CN(NC(=O)COc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826011020 583873667 /nfs/dbraw/zinc/87/36/67/583873667.db2.gz UIKYHTSJRJJEIF-UHFFFAOYSA-N -1 3 331.292 -0.829 20 0 EBADHM CN1C(=O)CN(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826011020 583873668 /nfs/dbraw/zinc/87/36/68/583873668.db2.gz UIKYHTSJRJJEIF-UHFFFAOYSA-N -1 3 331.292 -0.829 20 0 EBADHM CN1C(=O)CC[C@H]1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826010518 583873719 /nfs/dbraw/zinc/87/37/19/583873719.db2.gz LVOWHJDRMQDDKE-JTQLQIEISA-N -1 3 330.352 -0.589 20 0 EBADHM CN1C(=O)CC[C@H]1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826010518 583873721 /nfs/dbraw/zinc/87/37/21/583873721.db2.gz LVOWHJDRMQDDKE-JTQLQIEISA-N -1 3 330.352 -0.589 20 0 EBADHM CN1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1=O ZINC000826017669 583873762 /nfs/dbraw/zinc/87/37/62/583873762.db2.gz NAUCTRALSHFZLQ-MRVPVSSYSA-N -1 3 340.340 -0.485 20 0 EBADHM CN1C(=O)NC2(CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1=O ZINC000826016715 583873785 /nfs/dbraw/zinc/87/37/85/583873785.db2.gz FMEQMHPOWKKTIK-UHFFFAOYSA-N -1 3 328.336 -0.218 20 0 EBADHM CN1C(=O)NC2(CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1=O ZINC000826016715 583873786 /nfs/dbraw/zinc/87/37/86/583873786.db2.gz FMEQMHPOWKKTIK-UHFFFAOYSA-N -1 3 328.336 -0.218 20 0 EBADHM CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)c1ccccc1-c1nnn[n-]1 ZINC000826011184 583873812 /nfs/dbraw/zinc/87/38/12/583873812.db2.gz ZZENRUDTAUKFOR-UHFFFAOYSA-N -1 3 343.303 -0.750 20 0 EBADHM CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)c1ccccc1-c1nn[n-]n1 ZINC000826011184 583873814 /nfs/dbraw/zinc/87/38/14/583873814.db2.gz ZZENRUDTAUKFOR-UHFFFAOYSA-N -1 3 343.303 -0.750 20 0 EBADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H]1CCCN(C)C1=O ZINC000826029138 583874319 /nfs/dbraw/zinc/87/43/19/583874319.db2.gz PCXGVRBFEVYFSO-SNVBAGLBSA-N -1 3 333.400 -0.343 20 0 EBADHM CN1CCC[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1=O ZINC000826034177 583874607 /nfs/dbraw/zinc/87/46/07/583874607.db2.gz OJYOGYNBKSNHNE-JTQLQIEISA-N -1 3 336.377 -0.234 20 0 EBADHM CN1CCC[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1=O ZINC000826034177 583874608 /nfs/dbraw/zinc/87/46/08/583874608.db2.gz OJYOGYNBKSNHNE-JTQLQIEISA-N -1 3 336.377 -0.234 20 0 EBADHM CN1CCN(C(=O)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000826033740 583874657 /nfs/dbraw/zinc/87/46/57/583874657.db2.gz JBYXANDDWGGFJT-UHFFFAOYSA-N -1 3 332.368 -0.911 20 0 EBADHM CN1CCN(C(=O)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000826033740 583874659 /nfs/dbraw/zinc/87/46/59/583874659.db2.gz JBYXANDDWGGFJT-UHFFFAOYSA-N -1 3 332.368 -0.911 20 0 EBADHM CNC(=O)[C@H](C)CN(C)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826052672 583875420 /nfs/dbraw/zinc/87/54/20/583875420.db2.gz ROIWWYGEYUOJQP-BXKDBHETSA-N -1 3 332.364 -0.259 20 0 EBADHM CNC(=O)[C@H](C)CN(C)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826052672 583875423 /nfs/dbraw/zinc/87/54/23/583875423.db2.gz ROIWWYGEYUOJQP-BXKDBHETSA-N -1 3 332.364 -0.259 20 0 EBADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826052671 583875529 /nfs/dbraw/zinc/87/55/29/583875529.db2.gz RNSOKMMJZUHDNS-UPJWGTAASA-N -1 3 344.375 -0.069 20 0 EBADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826052671 583875531 /nfs/dbraw/zinc/87/55/31/583875531.db2.gz RNSOKMMJZUHDNS-UPJWGTAASA-N -1 3 344.375 -0.069 20 0 EBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826090958 583877931 /nfs/dbraw/zinc/87/79/31/583877931.db2.gz SCZQVKWBISIBJV-VIFPVBQESA-N -1 3 339.381 -0.651 20 0 EBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826090958 583877932 /nfs/dbraw/zinc/87/79/32/583877932.db2.gz SCZQVKWBISIBJV-VIFPVBQESA-N -1 3 339.381 -0.651 20 0 EBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826090766 583877970 /nfs/dbraw/zinc/87/79/70/583877970.db2.gz OCXBYUFZQRNCDT-MRVPVSSYSA-N -1 3 339.381 -0.651 20 0 EBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826090766 583877973 /nfs/dbraw/zinc/87/79/73/583877973.db2.gz OCXBYUFZQRNCDT-MRVPVSSYSA-N -1 3 339.381 -0.651 20 0 EBADHM COC(=O)[C@]1(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC000826123741 583880192 /nfs/dbraw/zinc/88/01/92/583880192.db2.gz IOHDITRVVRIBNO-NHYWBVRUSA-N -1 3 347.331 -0.652 20 0 EBADHM COC(=O)[C@]1(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC000826123741 583880193 /nfs/dbraw/zinc/88/01/93/583880193.db2.gz IOHDITRVVRIBNO-NHYWBVRUSA-N -1 3 347.331 -0.652 20 0 EBADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826129141 583881591 /nfs/dbraw/zinc/88/15/91/583881591.db2.gz KJGJRAGNHCIIFS-KCJUWKMLSA-N -1 3 334.336 -0.013 20 0 EBADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826129141 583881592 /nfs/dbraw/zinc/88/15/92/583881592.db2.gz KJGJRAGNHCIIFS-KCJUWKMLSA-N -1 3 334.336 -0.013 20 0 EBADHM COC(=O)CN(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826137960 583882332 /nfs/dbraw/zinc/88/23/32/583882332.db2.gz AVROWMVFGWMHBS-UHFFFAOYSA-N -1 3 347.303 -0.062 20 0 EBADHM COC(=O)CN(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826137960 583882334 /nfs/dbraw/zinc/88/23/34/583882334.db2.gz AVROWMVFGWMHBS-UHFFFAOYSA-N -1 3 347.303 -0.062 20 0 EBADHM COCC(=O)N(C)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000826147900 583883303 /nfs/dbraw/zinc/88/33/03/583883303.db2.gz PSVOJECQNCTEDM-UHFFFAOYSA-N -1 3 335.320 -0.115 20 0 EBADHM COCC(=O)N(C)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000826147900 583883305 /nfs/dbraw/zinc/88/33/05/583883305.db2.gz PSVOJECQNCTEDM-UHFFFAOYSA-N -1 3 335.320 -0.115 20 0 EBADHM COC[C@H](CCO)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826149302 583883568 /nfs/dbraw/zinc/88/35/68/583883568.db2.gz FDQIAWDHXGSTAO-VIFPVBQESA-N -1 3 345.356 -0.319 20 0 EBADHM COC[C@H](N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826150414 583884233 /nfs/dbraw/zinc/88/42/33/583884233.db2.gz DMPUUDGKUFEYSN-QWRGUYRKSA-N -1 3 334.336 -0.829 20 0 EBADHM COC[C@H](N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826150414 583884234 /nfs/dbraw/zinc/88/42/34/583884234.db2.gz DMPUUDGKUFEYSN-QWRGUYRKSA-N -1 3 334.336 -0.829 20 0 EBADHM COC[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C(=O)OC ZINC000826150981 583884350 /nfs/dbraw/zinc/88/43/50/583884350.db2.gz QMAFZFNSAFWYTN-SNVBAGLBSA-N -1 3 335.320 -0.450 20 0 EBADHM COC[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C(=O)OC ZINC000826150981 583884352 /nfs/dbraw/zinc/88/43/52/583884352.db2.gz QMAFZFNSAFWYTN-SNVBAGLBSA-N -1 3 335.320 -0.450 20 0 EBADHM COC[C@H](O)C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826152114 583884604 /nfs/dbraw/zinc/88/46/04/583884604.db2.gz RDKYRDGCWFKGGT-RYUDHWBXSA-N -1 3 347.331 -0.478 20 0 EBADHM COC[C@H](O)C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826152114 583884606 /nfs/dbraw/zinc/88/46/06/583884606.db2.gz RDKYRDGCWFKGGT-RYUDHWBXSA-N -1 3 347.331 -0.478 20 0 EBADHM COC[C@H](O)CN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000826152098 583884797 /nfs/dbraw/zinc/88/47/97/583884797.db2.gz QTQCTMLFBSLSTQ-LLVKDONJSA-N -1 3 349.395 -0.139 20 0 EBADHM COC[C@H](O)CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826152098 583884798 /nfs/dbraw/zinc/88/47/98/583884798.db2.gz QTQCTMLFBSLSTQ-LLVKDONJSA-N -1 3 349.395 -0.139 20 0 EBADHM COC[C@@H](O)CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826152445 583885002 /nfs/dbraw/zinc/88/50/02/583885002.db2.gz ZFPOKSIPAZJLBL-LBPRGKRZSA-N -1 3 348.363 -0.890 20 0 EBADHM COC[C@@H](O)CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826152445 583885004 /nfs/dbraw/zinc/88/50/04/583885004.db2.gz ZFPOKSIPAZJLBL-LBPRGKRZSA-N -1 3 348.363 -0.890 20 0 EBADHM COC[C@H](O)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826152428 583885152 /nfs/dbraw/zinc/88/51/52/583885152.db2.gz YUKMPEFCMXMSFN-JTQLQIEISA-N -1 3 346.303 -0.033 20 0 EBADHM COC[C@H](O)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826152428 583885155 /nfs/dbraw/zinc/88/51/55/583885155.db2.gz YUKMPEFCMXMSFN-JTQLQIEISA-N -1 3 346.303 -0.033 20 0 EBADHM COCC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826154429 583885392 /nfs/dbraw/zinc/88/53/92/583885392.db2.gz PFHDJGWWHHHHCW-ZHRWSRJISA-N -1 3 330.348 -0.114 20 0 EBADHM COCC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826154429 583885394 /nfs/dbraw/zinc/88/53/94/583885394.db2.gz PFHDJGWWHHHHCW-ZHRWSRJISA-N -1 3 330.348 -0.114 20 0 EBADHM COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826154478 583885520 /nfs/dbraw/zinc/88/55/20/583885520.db2.gz QEPBPSLTHGDGPQ-CYBMUJFWSA-N -1 3 341.393 -0.068 20 0 EBADHM COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826154478 583885522 /nfs/dbraw/zinc/88/55/22/583885522.db2.gz QEPBPSLTHGDGPQ-CYBMUJFWSA-N -1 3 341.393 -0.068 20 0 EBADHM COCCN1CCN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000826159635 583885887 /nfs/dbraw/zinc/88/58/87/583885887.db2.gz MFNFQSMOEJNELA-AWEZNQCLSA-N -1 3 346.391 -0.309 20 0 EBADHM COCCN1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000826159635 583885888 /nfs/dbraw/zinc/88/58/88/583885888.db2.gz MFNFQSMOEJNELA-AWEZNQCLSA-N -1 3 346.391 -0.309 20 0 EBADHM COCCN(CCO)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826158598 583886014 /nfs/dbraw/zinc/88/60/14/583886014.db2.gz VULYTFNEXUTRSZ-UHFFFAOYSA-N -1 3 341.393 -0.195 20 0 EBADHM COCCN(CCO)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826158598 583886017 /nfs/dbraw/zinc/88/60/17/583886017.db2.gz VULYTFNEXUTRSZ-UHFFFAOYSA-N -1 3 341.393 -0.195 20 0 EBADHM COCc1nc2n(n1)C[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CC2 ZINC000826165741 583886235 /nfs/dbraw/zinc/88/62/35/583886235.db2.gz IIOYEYPYWFUEPC-SECBINFHSA-N -1 3 343.351 -0.323 20 0 EBADHM COCc1nc2n(n1)C[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2 ZINC000826165741 583886236 /nfs/dbraw/zinc/88/62/36/583886236.db2.gz IIOYEYPYWFUEPC-SECBINFHSA-N -1 3 343.351 -0.323 20 0 EBADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cn1cnnn1 ZINC000826161658 583886362 /nfs/dbraw/zinc/88/63/62/583886362.db2.gz SUXYPVCZAMLNHA-UHFFFAOYSA-N -1 3 345.323 -0.483 20 0 EBADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1cnnn1 ZINC000826161658 583886363 /nfs/dbraw/zinc/88/63/63/583886363.db2.gz SUXYPVCZAMLNHA-UHFFFAOYSA-N -1 3 345.323 -0.483 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H]1CNC(=O)C1 ZINC000826175107 583886876 /nfs/dbraw/zinc/88/68/76/583886876.db2.gz SZNLIWMCLAUVND-SECBINFHSA-N -1 3 332.320 -0.741 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H]1CNC(=O)C1 ZINC000826175107 583886877 /nfs/dbraw/zinc/88/68/77/583886877.db2.gz SZNLIWMCLAUVND-SECBINFHSA-N -1 3 332.320 -0.741 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cn1ncn(C)c1=O ZINC000826184283 583887062 /nfs/dbraw/zinc/88/70/62/583887062.db2.gz RDUJOJKLXCWGEC-UHFFFAOYSA-N -1 3 345.319 -0.486 20 0 EBADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cn1ncn(C)c1=O ZINC000826184283 583887064 /nfs/dbraw/zinc/88/70/64/583887064.db2.gz RDUJOJKLXCWGEC-UHFFFAOYSA-N -1 3 345.319 -0.486 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000826183059 583887317 /nfs/dbraw/zinc/88/73/17/583887317.db2.gz CEKXCKLJYGMHAF-NSHDSACASA-N -1 3 343.347 -0.389 20 0 EBADHM COc1ccc(CNC(=O)CN2CCOCC2)cc1-c1nnn[n-]1 ZINC000826196842 583887628 /nfs/dbraw/zinc/88/76/28/583887628.db2.gz QIJBTQKDGNQLKG-UHFFFAOYSA-N -1 3 332.364 -0.176 20 0 EBADHM COc1ccc(CNC(=O)CN2CCOCC2)cc1-c1nn[n-]n1 ZINC000826196842 583887632 /nfs/dbraw/zinc/88/76/32/583887632.db2.gz QIJBTQKDGNQLKG-UHFFFAOYSA-N -1 3 332.364 -0.176 20 0 EBADHM COc1ccc(CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1-c1nnn[n-]1 ZINC000826195382 583887691 /nfs/dbraw/zinc/88/76/91/583887691.db2.gz RDQUNZFDQDGSEH-LLVKDONJSA-N -1 3 343.347 -0.389 20 0 EBADHM COc1ccc(CNC(=O)N[C@H](C)CC(N)=O)cc1-c1nnn[n-]1 ZINC000826198940 583887693 /nfs/dbraw/zinc/88/76/93/583887693.db2.gz NAMMNUKGNYTONL-MRVPVSSYSA-N -1 3 333.352 -0.062 20 0 EBADHM COc1ccc(CNC(=O)N[C@H](C)CC(N)=O)cc1-c1nn[n-]n1 ZINC000826198940 583887694 /nfs/dbraw/zinc/88/76/94/583887694.db2.gz NAMMNUKGNYTONL-MRVPVSSYSA-N -1 3 333.352 -0.062 20 0 EBADHM COc1ccc(CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1-c1nnn[n-]1 ZINC000826195383 583887728 /nfs/dbraw/zinc/88/77/28/583887728.db2.gz RDQUNZFDQDGSEH-NSHDSACASA-N -1 3 343.347 -0.389 20 0 EBADHM COc1ccc(CNC(=O)N2CCNC(=O)CC2)cc1-c1nnn[n-]1 ZINC000826198079 583887754 /nfs/dbraw/zinc/88/77/54/583887754.db2.gz LHCLKBILBQXGOO-UHFFFAOYSA-N -1 3 345.363 -0.093 20 0 EBADHM COc1ccc(CNC(=O)N2CCNC(=O)CC2)cc1-c1nn[n-]n1 ZINC000826198079 583887755 /nfs/dbraw/zinc/88/77/55/583887755.db2.gz LHCLKBILBQXGOO-UHFFFAOYSA-N -1 3 345.363 -0.093 20 0 EBADHM CS(=O)(=O)NCCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826223300 583888422 /nfs/dbraw/zinc/88/84/22/583888422.db2.gz IIXQTAFWEGSZAL-UHFFFAOYSA-N -1 3 343.340 -0.012 20 0 EBADHM CS(=O)(=O)NCCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826223300 583888424 /nfs/dbraw/zinc/88/84/24/583888424.db2.gz IIXQTAFWEGSZAL-UHFFFAOYSA-N -1 3 343.340 -0.012 20 0 EBADHM CS(=O)(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826223523 583888674 /nfs/dbraw/zinc/88/86/74/583888674.db2.gz POUDWGRUGHNISS-SECBINFHSA-N -1 3 326.382 -0.027 20 0 EBADHM Cc1cc(C(=O)NCC(N)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259616 583889897 /nfs/dbraw/zinc/88/98/97/583889897.db2.gz XWUMDKHFMVDCLX-UHFFFAOYSA-N -1 3 326.320 -0.424 20 0 EBADHM Cc1cc(C(=O)NCC(N)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259616 583889899 /nfs/dbraw/zinc/88/98/99/583889899.db2.gz XWUMDKHFMVDCLX-UHFFFAOYSA-N -1 3 326.320 -0.424 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCc1nnnn1C ZINC000826255593 583890018 /nfs/dbraw/zinc/89/00/18/583890018.db2.gz CTKLQMOWRBHBPZ-UHFFFAOYSA-N -1 3 349.380 -0.780 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCc1nnnn1C ZINC000826255593 583890020 /nfs/dbraw/zinc/89/00/20/583890020.db2.gz CTKLQMOWRBHBPZ-UHFFFAOYSA-N -1 3 349.380 -0.780 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(CCO)CCCO ZINC000826255405 583890036 /nfs/dbraw/zinc/89/00/36/583890036.db2.gz XKLTXBPRNJPVNK-UHFFFAOYSA-N -1 3 341.393 -0.459 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(CCO)CCCO ZINC000826255405 583890038 /nfs/dbraw/zinc/89/00/38/583890038.db2.gz XKLTXBPRNJPVNK-UHFFFAOYSA-N -1 3 341.393 -0.459 20 0 EBADHM Cc1cccc(S(=O)(=O)NCC2(CO)COC2)c1-c1nnn[n-]1 ZINC000826302256 583890805 /nfs/dbraw/zinc/89/08/05/583890805.db2.gz DITHJLLIQJGXDM-UHFFFAOYSA-N -1 3 339.377 -0.538 20 0 EBADHM Cc1cccc(S(=O)(=O)NCC2(CO)COC2)c1-c1nn[n-]n1 ZINC000826302256 583890806 /nfs/dbraw/zinc/89/08/06/583890806.db2.gz DITHJLLIQJGXDM-UHFFFAOYSA-N -1 3 339.377 -0.538 20 0 EBADHM Cc1ccnc(N(C)C[C@H](O)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826309243 583891180 /nfs/dbraw/zinc/89/11/80/583891180.db2.gz IWVKWHZADQYKIN-LBPRGKRZSA-N -1 3 333.396 -0.301 20 0 EBADHM Cc1ccnc(N(C)C[C@H](O)CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826309243 583891182 /nfs/dbraw/zinc/89/11/82/583891182.db2.gz IWVKWHZADQYKIN-LBPRGKRZSA-N -1 3 333.396 -0.301 20 0 EBADHM Cc1nnc2n1CCN(C(=O)[C@H](O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000826337567 583891603 /nfs/dbraw/zinc/89/16/03/583891603.db2.gz SXUYVTPCBBSEJL-CYBMUJFWSA-N -1 3 340.347 -0.158 20 0 EBADHM Cc1nnc2n1CCN(C(=O)[C@H](O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000826337567 583891606 /nfs/dbraw/zinc/89/16/06/583891606.db2.gz SXUYVTPCBBSEJL-CYBMUJFWSA-N -1 3 340.347 -0.158 20 0 EBADHM Cc1noc(CCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826339566 583891742 /nfs/dbraw/zinc/89/17/42/583891742.db2.gz JVJLBESMUQITQK-LBPRGKRZSA-N -1 3 329.320 -0.050 20 0 EBADHM Cc1noc(CCNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826339566 583891746 /nfs/dbraw/zinc/89/17/46/583891746.db2.gz JVJLBESMUQITQK-LBPRGKRZSA-N -1 3 329.320 -0.050 20 0 EBADHM Cc1onc(CC(=O)NCCN2CCSCC2)c1-c1nnn[n-]1 ZINC000826347254 583893120 /nfs/dbraw/zinc/89/31/20/583893120.db2.gz KMNSXFJFVQETJQ-UHFFFAOYSA-N -1 3 337.409 -0.129 20 0 EBADHM Cc1onc(CC(=O)NCCN2CCSCC2)c1-c1nn[n-]n1 ZINC000826347254 583893122 /nfs/dbraw/zinc/89/31/22/583893122.db2.gz KMNSXFJFVQETJQ-UHFFFAOYSA-N -1 3 337.409 -0.129 20 0 EBADHM Cn1cc(C[S@@](=O)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000826362093 583894353 /nfs/dbraw/zinc/89/43/53/583894353.db2.gz CMPUJHLERZHUOY-XMMPIXPASA-N -1 3 346.376 -0.117 20 0 EBADHM Cn1cc(C[S@@](=O)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000826362093 583894356 /nfs/dbraw/zinc/89/43/56/583894356.db2.gz CMPUJHLERZHUOY-XMMPIXPASA-N -1 3 346.376 -0.117 20 0 EBADHM Cn1cnn(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1=O ZINC000826365563 583895279 /nfs/dbraw/zinc/89/52/79/583895279.db2.gz STGPCBLMJYIZRX-UHFFFAOYSA-N -1 3 332.299 -0.783 20 0 EBADHM Cn1cnn(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1=O ZINC000826365563 583895281 /nfs/dbraw/zinc/89/52/81/583895281.db2.gz STGPCBLMJYIZRX-UHFFFAOYSA-N -1 3 332.299 -0.783 20 0 EBADHM NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826389871 583896276 /nfs/dbraw/zinc/89/62/76/583896276.db2.gz KOMFMQGWONHSCD-UHFFFAOYSA-N -1 3 342.768 -0.184 20 0 EBADHM NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826389871 583896277 /nfs/dbraw/zinc/89/62/77/583896277.db2.gz KOMFMQGWONHSCD-UHFFFAOYSA-N -1 3 342.768 -0.184 20 0 EBADHM NC(=O)CCCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826391167 583896939 /nfs/dbraw/zinc/89/69/39/583896939.db2.gz YYLMVZFCHKYYDD-UHFFFAOYSA-N -1 3 342.356 -0.060 20 0 EBADHM NC(=O)CCCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826391167 583896943 /nfs/dbraw/zinc/89/69/43/583896943.db2.gz YYLMVZFCHKYYDD-UHFFFAOYSA-N -1 3 342.356 -0.060 20 0 EBADHM NC(=O)NC(=O)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000826391872 583897282 /nfs/dbraw/zinc/89/72/82/583897282.db2.gz FFSRUABHKOFZJP-UHFFFAOYSA-N -1 3 346.351 -0.322 20 0 EBADHM NC(=O)NC(=O)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000826391872 583897284 /nfs/dbraw/zinc/89/72/84/583897284.db2.gz FFSRUABHKOFZJP-UHFFFAOYSA-N -1 3 346.351 -0.322 20 0 EBADHM NC(=O)Cn1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)nn1 ZINC000826392243 583897405 /nfs/dbraw/zinc/89/74/05/583897405.db2.gz RPNYNBOEKZAVAB-UHFFFAOYSA-N -1 3 346.282 -0.560 20 0 EBADHM NC(=O)Cn1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)nn1 ZINC000826392243 583897406 /nfs/dbraw/zinc/89/74/06/583897406.db2.gz RPNYNBOEKZAVAB-UHFFFAOYSA-N -1 3 346.282 -0.560 20 0 EBADHM NC(=O)N[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826392053 583897440 /nfs/dbraw/zinc/89/74/40/583897440.db2.gz LVUWVSGDTOZCIM-LLVKDONJSA-N -1 3 330.352 -0.181 20 0 EBADHM NC(=O)N[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826392053 583897441 /nfs/dbraw/zinc/89/74/41/583897441.db2.gz LVUWVSGDTOZCIM-LLVKDONJSA-N -1 3 330.352 -0.181 20 0 EBADHM NC(=O)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826393329 583897817 /nfs/dbraw/zinc/89/78/17/583897817.db2.gz NMHHZRHYCIIXDT-GFCCVEGCSA-N -1 3 342.315 -0.092 20 0 EBADHM NC(=O)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826393329 583897819 /nfs/dbraw/zinc/89/78/19/583897819.db2.gz NMHHZRHYCIIXDT-GFCCVEGCSA-N -1 3 342.315 -0.092 20 0 EBADHM NC(=O)c1cc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)on1 ZINC000826392774 583897936 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O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]21)c1cn[n-]n1 ZINC000976811209 803866178 /nfs/dbraw/zinc/86/61/78/803866178.db2.gz MPWNZXWTAJNXLS-UFEFVDIESA-N -1 3 329.360 -0.585 20 0 EBADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccnn3C(F)F)C[C@H]21)c1cn[n-]n1 ZINC000976813018 803869259 /nfs/dbraw/zinc/86/92/59/803869259.db2.gz XJWMMEGEAOETGI-MTBHXBHISA-N -1 3 337.290 -0.103 20 0 EBADHM COc1cccnc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[n-]n1 ZINC000976813290 803870734 /nfs/dbraw/zinc/87/07/34/803870734.db2.gz ZRMJXJWOMPKWSG-GDGBQDQQSA-N -1 3 328.332 -0.291 20 0 EBADHM Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[n-]n2)c(=O)[nH]1 ZINC000976814718 803872349 /nfs/dbraw/zinc/87/23/49/803872349.db2.gz LEGSWURBCNHONG-IAZYJMLFSA-N -1 3 328.332 -0.286 20 0 EBADHM Cc1nc(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[n-]n2)cs1 ZINC000976817075 803875007 /nfs/dbraw/zinc/87/50/07/803875007.db2.gz VAHNNTVWCSQUKN-IWIIMEHWSA-N -1 3 332.389 -0.001 20 0 EBADHM 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PKWKFEIEERPHQD-WCQYABFASA-N -1 3 349.391 -0.814 20 0 EBADHM CN(C[C@H]1CCN1C(=O)C[C@H]1CCC(=O)N1)C(=O)c1cnc[n-]c1=O ZINC000977913924 804561181 /nfs/dbraw/zinc/56/11/81/804561181.db2.gz QMGJZOUQZXTCIQ-GHMZBOCLSA-N -1 3 347.375 -0.476 20 0 EBADHM CN(C[C@@H]1CCN1C(=O)[C@@]1(F)CCOC1)C(=O)c1cnc[n-]c1=O ZINC000977915953 804563348 /nfs/dbraw/zinc/56/33/48/804563348.db2.gz YTGFCAHNQDGJMO-ZUZCIYMTSA-N -1 3 338.339 -0.016 20 0 EBADHM Cc1n[nH]c(C(=O)NC[C@@H]2[C@H]3CN([C@@H](C)C(=O)NC4CC4)C[C@H]32)c1[O-] ZINC000977985807 804606371 /nfs/dbraw/zinc/60/63/71/804606371.db2.gz WBLSJKDVBDLSAF-XYJRDEOASA-N -1 3 347.419 -0.002 20 0 EBADHM Cc1n[nH]nc1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cnc[n-]c1=O ZINC000978120707 804671072 /nfs/dbraw/zinc/67/10/72/804671072.db2.gz FMZOHVNKYZZBGT-VIFPVBQESA-N -1 3 331.336 -0.405 20 0 EBADHM Cc1n[nH]nc1C(=O)N(C)C[C@H]1CCN1C(=O)c1c(C)nc[n-]c1=O ZINC000978138050 804683273 /nfs/dbraw/zinc/68/32/73/804683273.db2.gz ZNAQHXVFSGLEOA-SNVBAGLBSA-N -1 3 345.363 -0.096 20 0 EBADHM CN(C[C@@H]1CCN1C(=O)c1ccccc1[O-])C(=O)[C@@H]1CNC(=O)N1 ZINC000978305594 804783206 /nfs/dbraw/zinc/78/32/06/804783206.db2.gz NOXAISFVSIDQKI-JQWIXIFHSA-N -1 3 332.360 -0.254 20 0 EBADHM Cn1cc(CN2C[C@@H]3[C@@H](CNC(=O)c4cnc[n-]c4=O)[C@@H]3C2)nn1 ZINC000978306936 804783968 /nfs/dbraw/zinc/78/39/68/804783968.db2.gz HKOASBKDCVPXID-UOJUARBOSA-N -1 3 329.364 -0.582 20 0 EBADHM O=C(NC[C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1)[C@@H]1CCNC(=O)C1 ZINC000978715836 804938714 /nfs/dbraw/zinc/93/87/14/804938714.db2.gz DCHFTLUOVRQQMQ-MXWKQRLJSA-N -1 3 347.375 -0.667 20 0 EBADHM Cn1ncc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cnc[n-]c3=O)C2)c1N ZINC000978738719 804951541 /nfs/dbraw/zinc/95/15/41/804951541.db2.gz FMGLOGUQLGZMLI-DTORHVGOSA-N -1 3 345.363 -0.564 20 0 EBADHM Cn1[n-]c(CN2C[C@@H]3[C@@H](CNC(=O)c4ccncn4)[C@@H]3C2)nc1=O ZINC000978866809 805014606 /nfs/dbraw/zinc/01/46/06/805014606.db2.gz NEIHDQROVBLUBL-RTCCRHLQSA-N -1 3 329.364 -0.994 20 0 EBADHM COc1ccc(C(=O)NC[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)o1 ZINC000978909535 805035628 /nfs/dbraw/zinc/03/56/28/805035628.db2.gz FTAHMIQYLOMIHR-RTCCRHLQSA-N -1 3 347.375 -0.182 20 0 EBADHM O=C(C[C@@H]1CCNC1=O)N[C@H]1C[C@@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC000978942496 805055134 /nfs/dbraw/zinc/05/51/34/805055134.db2.gz MKYNSWRULXMQAZ-GARJFASQSA-N -1 3 347.375 -0.667 20 0 EBADHM Cn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cnc[n-]c3=O)C2)[nH]c1=O ZINC000978940788 805056149 /nfs/dbraw/zinc/05/61/49/805056149.db2.gz GEKHUCXIMKDJRS-DTORHVGOSA-N -1 3 346.347 -0.440 20 0 EBADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)c1cnc[n-]c1=O ZINC000978940784 805056331 /nfs/dbraw/zinc/05/63/31/805056331.db2.gz COGCHWCZNDKSAC-LGIITZLMSA-N -1 3 332.360 -0.301 20 0 EBADHM O=C(NC[C@@H]1C[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1)c1cnc[n-]c1=O ZINC000978942963 805057175 /nfs/dbraw/zinc/05/71/75/805057175.db2.gz WTIXDJSWCQACJK-GARJFASQSA-N -1 3 347.375 -0.667 20 0 EBADHM O=C(Cn1ccnc1)N[C@H]1C[C@@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC000978947800 805057697 /nfs/dbraw/zinc/05/76/97/805057697.db2.gz ZXMWENNVWVMPQK-PHIMTYICSA-N -1 3 330.348 -0.297 20 0 EBADHM C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)CC(=O)N1 ZINC000978989814 805075375 /nfs/dbraw/zinc/07/53/75/805075375.db2.gz NDDUDOCQXMUIPG-DBIOUOCHSA-N -1 3 334.380 -0.656 20 0 EBADHM CN1CCCC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)C1=O ZINC000979038933 805103848 /nfs/dbraw/zinc/10/38/48/805103848.db2.gz DZPATJDCHKAUJJ-GRYCIOLGSA-N -1 3 348.407 -0.312 20 0 EBADHM COCC(=O)N1CCO[C@@H]([C@@H](C)NCc2cc(=O)n3[n-]ccc3n2)C1 ZINC000979131200 805163616 /nfs/dbraw/zinc/16/36/16/805163616.db2.gz BKHOPEUUCIOKON-DGCLKSJQSA-N -1 3 349.391 -0.626 20 0 EBADHM O=C(NC[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1)c1cc2ncccn2n1 ZINC000979184931 805195568 /nfs/dbraw/zinc/19/55/68/805195568.db2.gz IEDYDNLHXOVZFA-AOOOYVTPSA-N -1 3 340.347 -0.214 20 0 EBADHM C[C@H](NCc1cn(C)nn1)[C@H]1CN(C(=O)c2ncccc2[O-])CCO1 ZINC000979270454 805251688 /nfs/dbraw/zinc/25/16/88/805251688.db2.gz GTFAKTBKYGNGGT-SMDDNHRTSA-N 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CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573792746 949261869 /nfs/dbraw/zinc/26/18/69/949261869.db2.gz DBPAPVMPVWIXCZ-UHFFFAOYSA-N -1 3 347.379 -0.456 20 0 EBADHM CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573792746 949261891 /nfs/dbraw/zinc/26/18/91/949261891.db2.gz DBPAPVMPVWIXCZ-UHFFFAOYSA-N -1 3 347.379 -0.456 20 0 EBADHM CNS(=O)(=O)CCNC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001570942279 949278528 /nfs/dbraw/zinc/27/85/28/949278528.db2.gz IVWKWBATCGQWMJ-UHFFFAOYSA-N -1 3 343.344 -0.324 20 0 EBADHM CNS(=O)(=O)CCNC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001570942279 949278546 /nfs/dbraw/zinc/27/85/46/949278546.db2.gz IVWKWBATCGQWMJ-UHFFFAOYSA-N -1 3 343.344 -0.324 20 0 EBADHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NCc1cnon1 ZINC001570942452 949289236 /nfs/dbraw/zinc/28/92/36/949289236.db2.gz MAPWYEVVBKDWKJ-PRHODGIISA-N -1 3 343.351 -0.172 20 0 EBADHM C[C@@H](CNC(=O)Cc1c[nH]cn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574941086 949290313 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ZINC001573802737 949424210 /nfs/dbraw/zinc/42/42/10/949424210.db2.gz KKMAKRMMEZYHCP-VIFPVBQESA-N -1 3 335.368 -0.552 20 0 EBADHM O=C(N[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001570945458 949480814 /nfs/dbraw/zinc/48/08/14/949480814.db2.gz ZUCUDNKBOVHGND-PWSUYJOCSA-N -1 3 345.363 -0.296 20 0 EBADHM O=C(N[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001570945458 949480830 /nfs/dbraw/zinc/48/08/30/949480830.db2.gz ZUCUDNKBOVHGND-PWSUYJOCSA-N -1 3 345.363 -0.296 20 0 EBADHM C[C@H](CNC(=O)Cn1ccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574949603 949499883 /nfs/dbraw/zinc/49/98/83/949499883.db2.gz YLDNKEJHWYJXCV-SECBINFHSA-N -1 3 343.351 -0.674 20 0 EBADHM C[C@H](CNC(=O)Cn1ccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574949603 949499897 /nfs/dbraw/zinc/49/98/97/949499897.db2.gz YLDNKEJHWYJXCV-SECBINFHSA-N -1 3 343.351 -0.674 20 0 EBADHM NC(=O)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001570945850 949505500 /nfs/dbraw/zinc/50/55/00/949505500.db2.gz 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/nfs/dbraw/zinc/87/63/11/583876311.db2.gz NJVTWLVCDAMDBW-CYBMUJFWSA-N -1 3 332.364 -0.308 20 0 EBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000826084327 583877570 /nfs/dbraw/zinc/87/75/70/583877570.db2.gz ZEOYTIJBSWSXJY-MRVPVSSYSA-N -1 3 339.381 -0.651 20 0 EBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000826084327 583877572 /nfs/dbraw/zinc/87/75/72/583877572.db2.gz ZEOYTIJBSWSXJY-MRVPVSSYSA-N -1 3 339.381 -0.651 20 0 EBADHM COC(=O)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826103434 583878339 /nfs/dbraw/zinc/87/83/39/583878339.db2.gz GSIDNEGBQRJFDT-NEPJUHHUSA-N -1 3 331.332 -0.032 20 0 EBADHM COC(=O)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826103434 583878341 /nfs/dbraw/zinc/87/83/41/583878341.db2.gz GSIDNEGBQRJFDT-NEPJUHHUSA-N -1 3 331.332 -0.032 20 0 EBADHM COC(=O)C1(O)CCN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826128733 583881558 /nfs/dbraw/zinc/88/15/58/583881558.db2.gz GZYRZRIJULMEFD-CYBMUJFWSA-N -1 3 347.375 -0.100 20 0 EBADHM COC(=O)C1(O)CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826128733 583881560 /nfs/dbraw/zinc/88/15/60/583881560.db2.gz GZYRZRIJULMEFD-CYBMUJFWSA-N -1 3 347.375 -0.100 20 0 EBADHM COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826137957 583882246 /nfs/dbraw/zinc/88/22/46/583882246.db2.gz ANDSDMNXKBXXJR-UHFFFAOYSA-N -1 3 331.741 -0.029 20 0 EBADHM COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826137957 583882248 /nfs/dbraw/zinc/88/22/48/583882248.db2.gz ANDSDMNXKBXXJR-UHFFFAOYSA-N -1 3 331.741 -0.029 20 0 EBADHM COC1CCN(CCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000826146722 583883002 /nfs/dbraw/zinc/88/30/02/583883002.db2.gz BDDSZISSOXZWTJ-UHFFFAOYSA-N -1 3 349.395 -0.067 20 0 EBADHM COC1CCN(CCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000826146722 583883005 /nfs/dbraw/zinc/88/30/05/583883005.db2.gz BDDSZISSOXZWTJ-UHFFFAOYSA-N -1 3 349.395 -0.067 20 0 EBADHM COC[C@@](C)(O)CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826148227 583883087 /nfs/dbraw/zinc/88/30/87/583883087.db2.gz CQBSGFBLJIYQQY-ZDUSSCGKSA-N -1 3 341.393 -0.317 20 0 EBADHM COC[C@@](C)(O)CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826148227 583883090 /nfs/dbraw/zinc/88/30/90/583883090.db2.gz CQBSGFBLJIYQQY-ZDUSSCGKSA-N -1 3 341.393 -0.317 20 0 EBADHM COC[C@](C)(O)CNS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826148196 583883145 /nfs/dbraw/zinc/88/31/45/583883145.db2.gz BSKHINCCCYGBDW-CYBMUJFWSA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@](C)(O)CNS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826148196 583883148 /nfs/dbraw/zinc/88/31/48/583883148.db2.gz BSKHINCCCYGBDW-CYBMUJFWSA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@](C)(O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826148321 583883225 /nfs/dbraw/zinc/88/32/25/583883225.db2.gz FQWWBMIAXKKEBD-GFCCVEGCSA-N -1 3 327.366 -0.458 20 0 EBADHM COC[C@](C)(O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826148321 583883227 /nfs/dbraw/zinc/88/32/27/583883227.db2.gz FQWWBMIAXKKEBD-GFCCVEGCSA-N -1 3 327.366 -0.458 20 0 EBADHM COC[C@@H](CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)OC ZINC000826149870 583883855 /nfs/dbraw/zinc/88/38/55/583883855.db2.gz QUEZKVYQUMLTPG-SNVBAGLBSA-N -1 3 327.366 -0.194 20 0 EBADHM COC[C@@H](CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)OC ZINC000826149870 583883856 /nfs/dbraw/zinc/88/38/56/583883856.db2.gz QUEZKVYQUMLTPG-SNVBAGLBSA-N -1 3 327.366 -0.194 20 0 EBADHM COC[C@@H](CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)OC ZINC000826150084 583883915 /nfs/dbraw/zinc/88/39/15/583883915.db2.gz WABADAXZKXVGBY-GFCCVEGCSA-N -1 3 341.393 -0.053 20 0 EBADHM COC[C@@H](CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)OC ZINC000826150084 583883916 /nfs/dbraw/zinc/88/39/16/583883916.db2.gz WABADAXZKXVGBY-GFCCVEGCSA-N -1 3 341.393 -0.053 20 0 EBADHM COC[C@@H](O)C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826151398 583884320 /nfs/dbraw/zinc/88/43/20/583884320.db2.gz ACVQCAWNHWAIOG-LLVKDONJSA-N -1 3 335.320 -0.967 20 0 EBADHM COC[C@@H](O)C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826151398 583884321 /nfs/dbraw/zinc/88/43/21/583884321.db2.gz ACVQCAWNHWAIOG-LLVKDONJSA-N -1 3 335.320 -0.967 20 0 EBADHM COC[C@@H](N[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826150412 583884361 /nfs/dbraw/zinc/88/43/61/583884361.db2.gz DMPUUDGKUFEYSN-GHMZBOCLSA-N -1 3 334.336 -0.829 20 0 EBADHM COC[C@@H](N[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826150412 583884362 /nfs/dbraw/zinc/88/43/62/583884362.db2.gz DMPUUDGKUFEYSN-GHMZBOCLSA-N -1 3 334.336 -0.829 20 0 EBADHM COC[C@@H](O)C(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000826152232 583884652 /nfs/dbraw/zinc/88/46/52/583884652.db2.gz UCDHTSRJVZBELO-GHMZBOCLSA-N -1 3 336.304 -0.369 20 0 EBADHM COC[C@@H](O)C(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000826152232 583884654 /nfs/dbraw/zinc/88/46/54/583884654.db2.gz UCDHTSRJVZBELO-GHMZBOCLSA-N -1 3 336.304 -0.369 20 0 EBADHM COCCN(CCO)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826158637 583885825 /nfs/dbraw/zinc/88/58/25/583885825.db2.gz WZFMQOUPGHNSAB-UHFFFAOYSA-N -1 3 345.356 -0.365 20 0 EBADHM COCCN1CC[C@@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826159975 583886230 /nfs/dbraw/zinc/88/62/30/583886230.db2.gz ZXNPVDXBELXDCT-KGLIPLIRSA-N -1 3 346.391 -0.263 20 0 EBADHM COCCS(=O)(=O)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826162994 583886438 /nfs/dbraw/zinc/88/64/38/583886438.db2.gz BLUAHKMTPORXSX-UHFFFAOYSA-N -1 3 339.377 -0.109 20 0 EBADHM COCCS(=O)(=O)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826162994 583886439 /nfs/dbraw/zinc/88/64/39/583886439.db2.gz BLUAHKMTPORXSX-UHFFFAOYSA-N -1 3 339.377 -0.109 20 0 EBADHM COc1ccc(CNC(=O)Cn2ncn(C)c2=O)cc1-c1nnn[n-]1 ZINC000826197519 583887661 /nfs/dbraw/zinc/88/76/61/583887661.db2.gz RZEJBTOELLADPV-UHFFFAOYSA-N -1 3 344.335 -0.913 20 0 EBADHM COc1ccc(CNC(=O)Cn2ncn(C)c2=O)cc1-c1nn[n-]n1 ZINC000826197519 583887663 /nfs/dbraw/zinc/88/76/63/583887663.db2.gz RZEJBTOELLADPV-UHFFFAOYSA-N -1 3 344.335 -0.913 20 0 EBADHM COc1ccc(CNC(=O)N(C)[C@H](C)C(N)=O)cc1-c1nnn[n-]1 ZINC000826197419 583887683 /nfs/dbraw/zinc/88/76/83/583887683.db2.gz 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583888074 /nfs/dbraw/zinc/88/80/74/583888074.db2.gz SABMOOUXWHVRTE-SNVBAGLBSA-N -1 3 325.350 -0.939 20 0 EBADHM CS(=O)(=O)CCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826222905 583888075 /nfs/dbraw/zinc/88/80/75/583888075.db2.gz SABMOOUXWHVRTE-SNVBAGLBSA-N -1 3 325.350 -0.939 20 0 EBADHM COc1ncccc1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000826222444 583888216 /nfs/dbraw/zinc/88/82/16/583888216.db2.gz WZFSHNDVJQVHQK-UHFFFAOYSA-N -1 3 330.308 -0.094 20 0 EBADHM COc1ncccc1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000826222444 583888217 /nfs/dbraw/zinc/88/82/17/583888217.db2.gz WZFSHNDVJQVHQK-UHFFFAOYSA-N -1 3 330.308 -0.094 20 0 EBADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000826223742 583888446 /nfs/dbraw/zinc/88/84/46/583888446.db2.gz YKGHKYBRDGEDKX-QMMMGPOBSA-N -1 3 339.381 -0.794 20 0 EBADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000826223742 583888448 /nfs/dbraw/zinc/88/84/48/583888448.db2.gz YKGHKYBRDGEDKX-QMMMGPOBSA-N -1 3 339.381 -0.794 20 0 EBADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826223672 583888592 /nfs/dbraw/zinc/88/85/92/583888592.db2.gz VWAIOMQSNUVLLB-SECBINFHSA-N -1 3 339.381 -0.651 20 0 EBADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826223672 583888593 /nfs/dbraw/zinc/88/85/93/583888593.db2.gz VWAIOMQSNUVLLB-SECBINFHSA-N -1 3 339.381 -0.651 20 0 EBADHM CS(=O)(=O)N1CCC[C@@H]1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000826223508 583888684 /nfs/dbraw/zinc/88/86/84/583888684.db2.gz OYZHQEPGNOBINJ-SECBINFHSA-N -1 3 326.382 -0.027 20 0 EBADHM CS(=O)(=O)N1CCC[C@@H]1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000826223508 583888685 /nfs/dbraw/zinc/88/86/85/583888685.db2.gz OYZHQEPGNOBINJ-SECBINFHSA-N -1 3 326.382 -0.027 20 0 EBADHM C[S@@](=O)CCN1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000826225049 583888899 /nfs/dbraw/zinc/88/88/99/583888899.db2.gz RSSNCPIZMHAKAK-HSZRJFAPSA-N -1 3 335.437 -0.242 20 0 EBADHM Cc1c(NC(=O)C(=O)N2C[C@@H](C)[C@H](O)C2)cccc1-c1nnn[n-]1 ZINC000826240686 583889498 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Cc1cccc(S(=O)(=O)N2CCNC(=O)[C@H]2C)c1-c1nnn[n-]1 ZINC000826301562 583890892 /nfs/dbraw/zinc/89/08/92/583890892.db2.gz IPIPKFINVFMZKD-SECBINFHSA-N -1 3 336.377 -0.316 20 0 EBADHM Cc1cccc(S(=O)(=O)N2CCNC(=O)[C@H]2C)c1-c1nn[n-]n1 ZINC000826301562 583890893 /nfs/dbraw/zinc/89/08/93/583890893.db2.gz IPIPKFINVFMZKD-SECBINFHSA-N -1 3 336.377 -0.316 20 0 EBADHM Cc1ccnc(N2CCN(CC(=O)N(C)C)CC2)c1-c1nnn[n-]1 ZINC000826310884 583891135 /nfs/dbraw/zinc/89/11/35/583891135.db2.gz MAMWEVUYUXYUJV-UHFFFAOYSA-N -1 3 330.396 -0.220 20 0 EBADHM Cc1ccnc(N2CCN(CC(=O)N(C)C)CC2)c1-c1nn[n-]n1 ZINC000826310884 583891137 /nfs/dbraw/zinc/89/11/37/583891137.db2.gz MAMWEVUYUXYUJV-UHFFFAOYSA-N -1 3 330.396 -0.220 20 0 EBADHM Cc1nnc(N2CCC[C@H]2CS(N)(=O)=O)c(-c2nnn[n-]2)c1C ZINC000826336015 583891546 /nfs/dbraw/zinc/89/15/46/583891546.db2.gz KFQQPOMYRYVDQO-VIFPVBQESA-N -1 3 338.397 -0.469 20 0 EBADHM Cc1nnc(N2CCC[C@H]2CS(N)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000826336015 583891548 /nfs/dbraw/zinc/89/15/48/583891548.db2.gz 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CC(C)CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574098794 949164865 /nfs/dbraw/zinc/16/48/65/949164865.db2.gz FRNMRVMVTCQOLI-UHFFFAOYSA-N -1 3 349.395 -0.208 20 0 EBADHM Cn1ccc(CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001570940426 949178525 /nfs/dbraw/zinc/17/85/25/949178525.db2.gz LIFNOQZMXVEKKY-LLVKDONJSA-N -1 3 341.379 -0.067 20 0 EBADHM Cn1ccc(CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001570940426 949178540 /nfs/dbraw/zinc/17/85/40/949178540.db2.gz LIFNOQZMXVEKKY-LLVKDONJSA-N -1 3 341.379 -0.067 20 0 EBADHM O=C(N[C@H](CO)[C@H](O)c1cccnc1)c1cc(-c2nnn[n-]2)ccn1 ZINC001570942722 949306514 /nfs/dbraw/zinc/30/65/14/949306514.db2.gz UXXZYUKGWXASBD-CHWSQXEVSA-N -1 3 341.331 -0.519 20 0 EBADHM O=C(N[C@H](CO)[C@H](O)c1cccnc1)c1cc(-c2nn[n-]n2)ccn1 ZINC001570942722 949306535 /nfs/dbraw/zinc/30/65/35/949306535.db2.gz UXXZYUKGWXASBD-CHWSQXEVSA-N -1 3 341.331 -0.519 20 0 EBADHM CC(C)n1cc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(=O)[nH]c1=O ZINC001574455379 949307249 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342.768 -0.313 20 0 EBADHM C[C@@H](c1nnnn1C)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575525512 949344176 /nfs/dbraw/zinc/34/41/76/949344176.db2.gz PBRYHODJABODDK-QMMMGPOBSA-N -1 3 345.371 -0.859 20 0 EBADHM C[C@@H](c1nnnn1C)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575525512 949344198 /nfs/dbraw/zinc/34/41/98/949344198.db2.gz PBRYHODJABODDK-QMMMGPOBSA-N -1 3 345.371 -0.859 20 0 EBADHM C[C@H](c1nnnn1C)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575526485 949370669 /nfs/dbraw/zinc/37/06/69/949370669.db2.gz ZZZZXMLNKATYQK-MRVPVSSYSA-N -1 3 345.371 -0.859 20 0 EBADHM C[C@H](c1nnnn1C)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575526485 949370691 /nfs/dbraw/zinc/37/06/91/949370691.db2.gz ZZZZXMLNKATYQK-MRVPVSSYSA-N -1 3 345.371 -0.859 20 0 EBADHM CC1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575526462 949371733 /nfs/dbraw/zinc/37/17/33/949371733.db2.gz ZOZBABPGVJNFEL-UHFFFAOYSA-N -1 3 347.379 -0.454 20 0 EBADHM CC1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575526462 949371758 /nfs/dbraw/zinc/37/17/58/949371758.db2.gz ZOZBABPGVJNFEL-UHFFFAOYSA-N -1 3 347.379 -0.454 20 0 EBADHM COCC(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001570944275 949413913 /nfs/dbraw/zinc/41/39/13/949413913.db2.gz LRNAPRCBMTWZQL-UHFFFAOYSA-N -1 3 345.363 -0.484 20 0 EBADHM COCC(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001570944275 949413922 /nfs/dbraw/zinc/41/39/22/949413922.db2.gz LRNAPRCBMTWZQL-UHFFFAOYSA-N -1 3 345.363 -0.484 20 0 EBADHM C[C@@H](CNC(=O)Cn1cnnn1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574948245 949456656 /nfs/dbraw/zinc/45/66/56/949456656.db2.gz HBJGVUJULXYPNZ-SECBINFHSA-N -1 3 343.355 -0.887 20 0 EBADHM C[C@@H](CNC(=O)Cn1cnnn1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574948245 949456674 /nfs/dbraw/zinc/45/66/74/949456674.db2.gz HBJGVUJULXYPNZ-SECBINFHSA-N -1 3 343.355 -0.887 20 0 EBADHM C[C@@H](CNC(=O)Cn1cnnn1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574948316 949459274 /nfs/dbraw/zinc/45/92/74/949459274.db2.gz HYTPKEFPZLBGSC-QMMMGPOBSA-N -1 3 346.330 -0.391 20 0 EBADHM C[C@@H](CNC(=O)Cn1cnnn1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574948316 949459293 /nfs/dbraw/zinc/45/92/93/949459293.db2.gz HYTPKEFPZLBGSC-QMMMGPOBSA-N -1 3 346.330 -0.391 20 0 EBADHM CC(C)CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574117455 949469667 /nfs/dbraw/zinc/46/96/67/949469667.db2.gz UVFNTCLEFNSVSC-JTQLQIEISA-N -1 3 335.368 -0.552 20 0 EBADHM CC(C)CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574117455 949469674 /nfs/dbraw/zinc/46/96/74/949469674.db2.gz UVFNTCLEFNSVSC-JTQLQIEISA-N -1 3 335.368 -0.552 20 0 EBADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001575869528 949476163 /nfs/dbraw/zinc/47/61/63/949476163.db2.gz RNRBSRGOSDXWTK-BDAKNGLRSA-N -1 3 338.393 -0.147 20 0 EBADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001575869528 949476178 /nfs/dbraw/zinc/47/61/78/949476178.db2.gz RNRBSRGOSDXWTK-BDAKNGLRSA-N -1 3 338.393 -0.147 20 0 EBADHM C[C@H](CNC(=O)Cn1ccnc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574949441 949493682 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Cc1cc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)nn1C ZINC001570948784 949617765 /nfs/dbraw/zinc/61/77/65/949617765.db2.gz ILDDQMXFXUJRJF-UHFFFAOYSA-N -1 3 348.392 -0.175 20 0 EBADHM Cc1cc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)nn1C ZINC001570948784 949617783 /nfs/dbraw/zinc/61/77/83/949617783.db2.gz ILDDQMXFXUJRJF-UHFFFAOYSA-N -1 3 348.392 -0.175 20 0 EBADHM COC(=O)[C@@H](CC1OCCO1)NC(=O)c1cnccc1-c1nnn[n-]1 ZINC001570948873 949620466 /nfs/dbraw/zinc/62/04/66/949620466.db2.gz KBVUXMAOFCYBFH-SNVBAGLBSA-N -1 3 348.319 -0.704 20 0 EBADHM COC(=O)[C@@H](CC1OCCO1)NC(=O)c1cnccc1-c1nn[n-]n1 ZINC001570948873 949620488 /nfs/dbraw/zinc/62/04/88/949620488.db2.gz KBVUXMAOFCYBFH-SNVBAGLBSA-N -1 3 348.319 -0.704 20 0 EBADHM CC1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)CC1 ZINC001575552674 949684386 /nfs/dbraw/zinc/68/43/86/949684386.db2.gz GZKGTVWZRAZWFV-MNOVXSKESA-N -1 3 345.363 -0.704 20 0 EBADHM CC1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CC1 ZINC001575552674 949684405 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EBADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001575559152 949751527 /nfs/dbraw/zinc/75/15/27/949751527.db2.gz UVSKKZODHBMFOC-JTQLQIEISA-N -1 3 347.379 -0.408 20 0 EBADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001575559152 949751543 /nfs/dbraw/zinc/75/15/43/949751543.db2.gz UVSKKZODHBMFOC-JTQLQIEISA-N -1 3 347.379 -0.408 20 0 EBADHM CC(C)(C)[C@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001573821835 949778631 /nfs/dbraw/zinc/77/86/31/949778631.db2.gz DPZBHSHFTJJJJT-VIFPVBQESA-N -1 3 326.382 -0.053 20 0 EBADHM CC(C)(C)[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001573821835 949778646 /nfs/dbraw/zinc/77/86/46/949778646.db2.gz DPZBHSHFTJJJJT-VIFPVBQESA-N -1 3 326.382 -0.053 20 0 EBADHM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574965704 949810755 /nfs/dbraw/zinc/81/07/55/949810755.db2.gz JXBSQOLPPMZFSN-GDPRMGEGSA-N -1 3 344.379 -0.453 20 0 EBADHM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574965704 949810777 /nfs/dbraw/zinc/81/07/77/949810777.db2.gz JXBSQOLPPMZFSN-GDPRMGEGSA-N -1 3 344.379 -0.453 20 0 EBADHM CC(C)[C@@H](O)C(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574967971 949884597 /nfs/dbraw/zinc/88/45/97/949884597.db2.gz KROPWEVCOXSIEZ-JOYOIKCWSA-N -1 3 349.395 -0.306 20 0 EBADHM CC(C)[C@@H](O)C(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574967971 949884623 /nfs/dbraw/zinc/88/46/23/949884623.db2.gz KROPWEVCOXSIEZ-JOYOIKCWSA-N -1 3 349.395 -0.306 20 0 EBADHM C[C@H](NC(=O)CN1CCCC1)[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575284079 949888937 /nfs/dbraw/zinc/88/89/37/949888937.db2.gz HOTBTVRSYUOXOE-QWRGUYRKSA-N -1 3 345.411 -0.521 20 0 EBADHM C[C@@H](CN(C)C(=O)Cc1cnc[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574728572 949994687 /nfs/dbraw/zinc/99/46/87/949994687.db2.gz DJEBSQDXGSBFNK-VIFPVBQESA-N -1 3 342.367 -0.119 20 0 EBADHM C[C@@H](CN(C)C(=O)Cc1cnc[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574728572 949994672 /nfs/dbraw/zinc/99/46/72/949994672.db2.gz DJEBSQDXGSBFNK-VIFPVBQESA-N -1 3 342.367 -0.119 20 0 EBADHM CCCN1CCC[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC001589675818 949998385 /nfs/dbraw/zinc/99/83/85/949998385.db2.gz ZTXCYECDZYIGED-RYUDHWBXSA-N -1 3 332.422 -0.181 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@@H]1CCOC1 ZINC001574974893 950001522 /nfs/dbraw/zinc/00/15/22/950001522.db2.gz CVQQGFCNMANMSJ-ZJUUUORDSA-N -1 3 347.379 -0.144 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@@H]1CCOC1 ZINC001574974893 950001544 /nfs/dbraw/zinc/00/15/44/950001544.db2.gz CVQQGFCNMANMSJ-ZJUUUORDSA-N -1 3 347.379 -0.144 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nncn1C ZINC001574975149 950013222 /nfs/dbraw/zinc/01/32/22/950013222.db2.gz FMRQDOZZTZUYRD-VIFPVBQESA-N -1 3 344.383 -0.426 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nncn1C ZINC001574975149 950013243 /nfs/dbraw/zinc/01/32/43/950013243.db2.gz FMRQDOZZTZUYRD-VIFPVBQESA-N -1 3 344.383 -0.426 20 0 EBADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575575289 950051200 /nfs/dbraw/zinc/05/12/00/950051200.db2.gz IICLVRGWYNYNPU-QMMMGPOBSA-N -1 3 333.352 -0.798 20 0 EBADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575575289 950051229 /nfs/dbraw/zinc/05/12/29/950051229.db2.gz IICLVRGWYNYNPU-QMMMGPOBSA-N -1 3 333.352 -0.798 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1=CCOCC1 ZINC001574976091 950054983 /nfs/dbraw/zinc/05/49/83/950054983.db2.gz LVRATZIGPGHFFH-SECBINFHSA-N -1 3 345.363 -0.224 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1=CCOCC1 ZINC001574976091 950055006 /nfs/dbraw/zinc/05/50/06/950055006.db2.gz LVRATZIGPGHFFH-SECBINFHSA-N -1 3 345.363 -0.224 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1cn(C)nn1 ZINC001574976276 950063789 /nfs/dbraw/zinc/06/37/89/950063789.db2.gz PEIIEQBPKBLPSA-VIFPVBQESA-N -1 3 344.383 -0.426 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1cn(C)nn1 ZINC001574976276 950063809 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347.379 -0.192 20 0 EBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCOC1 ZINC001574742108 950266673 /nfs/dbraw/zinc/26/66/73/950266673.db2.gz LPWKSYIMLWCWAB-NXEZZACHSA-N -1 3 347.379 -0.192 20 0 EBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CCOC1 ZINC001574988238 950327639 /nfs/dbraw/zinc/32/76/39/950327639.db2.gz PCNMQSZHOSNQPS-UWVGGRQHSA-N -1 3 347.379 -0.192 20 0 EBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CCOC1 ZINC001574988238 950327660 /nfs/dbraw/zinc/32/76/60/950327660.db2.gz PCNMQSZHOSNQPS-UWVGGRQHSA-N -1 3 347.379 -0.192 20 0 EBADHM C[C@@H](CN(C)C(=O)c1cn[nH]n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574743656 950333524 /nfs/dbraw/zinc/33/35/24/950333524.db2.gz USWZPPAYIVDCHI-ZETCQYMHSA-N -1 3 344.339 -0.797 20 0 EBADHM C[C@@H]1[C@H](NCc2cnon2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575908078 950352863 /nfs/dbraw/zinc/35/28/63/950352863.db2.gz AHMVMLHUPHVSQV-LDYMZIIASA-N -1 3 343.351 -0.029 20 0 EBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCCO1 ZINC001574751640 950462041 /nfs/dbraw/zinc/46/20/41/950462041.db2.gz PRPLEYIFOYYPTP-BXKDBHETSA-N -1 3 347.379 -0.050 20 0 EBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCO1 ZINC001574751640 950462058 /nfs/dbraw/zinc/46/20/58/950462058.db2.gz PRPLEYIFOYYPTP-BXKDBHETSA-N -1 3 347.379 -0.050 20 0 EBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1cn(C)nn1 ZINC001574753954 950552811 /nfs/dbraw/zinc/55/28/11/950552811.db2.gz IPIUCRJDJNFHKG-SECBINFHSA-N -1 3 344.383 -0.426 20 0 EBADHM CC(C)(C)OCC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573869683 950569404 /nfs/dbraw/zinc/56/94/04/950569404.db2.gz BAHYESMQLJPCFP-NSHDSACASA-N -1 3 349.395 -0.034 20 0 EBADHM CC(C)(C)OCC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573869683 950569422 /nfs/dbraw/zinc/56/94/22/950569422.db2.gz BAHYESMQLJPCFP-NSHDSACASA-N -1 3 349.395 -0.034 20 0 EBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn[nH]c1 ZINC001574754793 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CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826053722 583875854 /nfs/dbraw/zinc/87/58/54/583875854.db2.gz YLFQKDHUZVTHEW-LURJTMIESA-N -1 3 328.329 -0.581 20 0 EBADHM CNC(=O)[C@H]1CCCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826060583 583876244 /nfs/dbraw/zinc/87/62/44/583876244.db2.gz PBOWZTAHOXYJMZ-NSHDSACASA-N -1 3 344.379 -0.342 20 0 EBADHM CNC(=O)[C@H]1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826060583 583876246 /nfs/dbraw/zinc/87/62/46/583876246.db2.gz PBOWZTAHOXYJMZ-NSHDSACASA-N -1 3 344.379 -0.342 20 0 EBADHM CNS(=O)(=O)[C@H]1CCN(c2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC000826090282 583877531 /nfs/dbraw/zinc/87/75/31/583877531.db2.gz FMMGYUNAEVKSMU-VIFPVBQESA-N -1 3 348.392 -0.358 20 0 EBADHM CNS(=O)(=O)[C@H]1CCN(c2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC000826090282 583877533 /nfs/dbraw/zinc/87/75/33/583877533.db2.gz FMMGYUNAEVKSMU-VIFPVBQESA-N -1 3 348.392 -0.358 20 0 EBADHM CNS(=O)(=O)CCCOC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000826090045 583877546 /nfs/dbraw/zinc/87/75/46/583877546.db2.gz CFCGTYWJEVUDRC-UHFFFAOYSA-N -1 3 328.354 -0.699 20 0 EBADHM CNS(=O)(=O)CCCOC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000826090045 583877548 /nfs/dbraw/zinc/87/75/48/583877548.db2.gz CFCGTYWJEVUDRC-UHFFFAOYSA-N -1 3 328.354 -0.699 20 0 EBADHM CNS(=O)(=O)CCC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000826090747 583877855 /nfs/dbraw/zinc/87/78/55/583877855.db2.gz NMYURTXLXRCZOS-UHFFFAOYSA-N -1 3 325.350 -0.151 20 0 EBADHM CNS(=O)(=O)CCC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000826090747 583877856 /nfs/dbraw/zinc/87/78/56/583877856.db2.gz NMYURTXLXRCZOS-UHFFFAOYSA-N -1 3 325.350 -0.151 20 0 EBADHM COC(=O)[C@@H](O)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000826111911 583879202 /nfs/dbraw/zinc/87/92/02/583879202.db2.gz OEWQPUJKXIVMIH-NSHDSACASA-N -1 3 334.336 -0.419 20 0 EBADHM COC(=O)[C@@H](O)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000826111911 583879204 /nfs/dbraw/zinc/87/92/04/583879204.db2.gz OEWQPUJKXIVMIH-NSHDSACASA-N -1 3 334.336 -0.419 20 0 EBADHM COC(=O)CN(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826137966 583882228 /nfs/dbraw/zinc/88/22/28/583882228.db2.gz BASHRMMLNJGFDZ-UHFFFAOYSA-N -1 3 325.350 -0.199 20 0 EBADHM COC(=O)CN(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826137966 583882229 /nfs/dbraw/zinc/88/22/29/583882229.db2.gz BASHRMMLNJGFDZ-UHFFFAOYSA-N -1 3 325.350 -0.199 20 0 EBADHM COCC(=O)N(C)CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826147672 583883298 /nfs/dbraw/zinc/88/32/98/583883298.db2.gz HLRLQIFHSWZYNA-UHFFFAOYSA-N -1 3 332.364 -0.070 20 0 EBADHM COCC(=O)N(C)CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826147672 583883300 /nfs/dbraw/zinc/88/33/00/583883300.db2.gz HLRLQIFHSWZYNA-UHFFFAOYSA-N -1 3 332.364 -0.070 20 0 EBADHM COC[C@@H](CCO)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826149301 583883424 /nfs/dbraw/zinc/88/34/24/583883424.db2.gz FDQIAWDHXGSTAO-SECBINFHSA-N -1 3 345.356 -0.319 20 0 EBADHM COC[C@@](C)(CCO)NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826148785 583883429 /nfs/dbraw/zinc/88/34/29/583883429.db2.gz RAWXFJSTTVBUCF-CQSZACIVSA-N -1 3 335.368 -0.423 20 0 EBADHM COC[C@@](C)(CCO)NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826148785 583883432 /nfs/dbraw/zinc/88/34/32/583883432.db2.gz RAWXFJSTTVBUCF-CQSZACIVSA-N -1 3 335.368 -0.423 20 0 EBADHM COC[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OC ZINC000826149365 583883524 /nfs/dbraw/zinc/88/35/24/583883524.db2.gz GENFPTUICVOQID-JTQLQIEISA-N -1 3 327.366 -0.194 20 0 EBADHM COC[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OC ZINC000826149365 583883526 /nfs/dbraw/zinc/88/35/26/583883526.db2.gz GENFPTUICVOQID-JTQLQIEISA-N -1 3 327.366 -0.194 20 0 EBADHM COC[C@@](C)(NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000826149015 583883613 /nfs/dbraw/zinc/88/36/13/583883613.db2.gz XFVUFKXYUDRAAA-XHDPSFHLSA-N -1 3 349.347 -0.406 20 0 EBADHM COC[C@@](C)(NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000826149015 583883614 /nfs/dbraw/zinc/88/36/14/583883614.db2.gz XFVUFKXYUDRAAA-XHDPSFHLSA-N -1 3 349.347 -0.406 20 0 EBADHM 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COCCN1CC[C@@H](NC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826159419 583885805 /nfs/dbraw/zinc/88/58/05/583885805.db2.gz FPPGFXCBPLTCHD-SNVBAGLBSA-N -1 3 335.368 -0.457 20 0 EBADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cn1ncn(C)c1=O ZINC000826159275 583885986 /nfs/dbraw/zinc/88/59/86/583885986.db2.gz ZROQFIOPHAYQMM-UHFFFAOYSA-N -1 3 344.379 -0.132 20 0 EBADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1ncn(C)c1=O ZINC000826159275 583885988 /nfs/dbraw/zinc/88/59/88/583885988.db2.gz ZROQFIOPHAYQMM-UHFFFAOYSA-N -1 3 344.379 -0.132 20 0 EBADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CNC(C)=O ZINC000826161759 583886302 /nfs/dbraw/zinc/88/63/02/583886302.db2.gz YLDZAOZPGSZEHL-UHFFFAOYSA-N -1 3 334.336 -0.034 20 0 EBADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CNC(C)=O ZINC000826161759 583886304 /nfs/dbraw/zinc/88/63/04/583886304.db2.gz YLDZAOZPGSZEHL-UHFFFAOYSA-N -1 3 334.336 -0.034 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000826169755 583886547 /nfs/dbraw/zinc/88/65/47/583886547.db2.gz 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835294016 /nfs/dbraw/zinc/29/40/16/835294016.db2.gz UVCBEKGIETZNJO-UHFFFAOYSA-N -1 3 334.419 -0.599 20 0 EBADHM CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc([O-])cc1)C(N)=O ZINC001195841668 835297775 /nfs/dbraw/zinc/29/77/75/835297775.db2.gz DWQAMFOTZPNSNV-CABZTGNLSA-N -1 3 343.405 -0.315 20 0 EBADHM CSCCC(=O)N1CCCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001199796454 835862219 /nfs/dbraw/zinc/86/22/19/835862219.db2.gz KUNTWYMORKPWMQ-LLVKDONJSA-N -1 3 343.453 -0.431 20 0 EBADHM O=C(CCc1nnc[nH]1)N[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2 ZINC001202723282 836337953 /nfs/dbraw/zinc/33/79/53/836337953.db2.gz CSLZWZFLQHYKNY-VHSXEESVSA-N -1 3 346.395 -0.222 20 0 EBADHM O=C(CNC(=O)C1CC1)N1CCC(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001204624387 836521624 /nfs/dbraw/zinc/52/16/24/836521624.db2.gz JBQBZPAQJZFBKA-UHFFFAOYSA-N -1 3 336.396 -0.635 20 0 EBADHM COC[C@H](OC)C(=O)N1CCC(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001206218646 836630796 /nfs/dbraw/zinc/63/07/96/836630796.db2.gz SFAZTZAVLKDKOG-NSHDSACASA-N -1 3 327.385 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CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC001323021454 839325230 /nfs/dbraw/zinc/32/52/30/839325230.db2.gz STDRQKYVVMBJHY-SNVBAGLBSA-N -1 3 327.362 -0.146 20 0 EBADHM Cc1c([O-])ccc2c(CN3CC[C@@H]3CNC(=O)C(N)=O)cc(=O)oc12 ZINC001323293405 839404176 /nfs/dbraw/zinc/40/41/76/839404176.db2.gz MIWURGRCLLWGAG-LLVKDONJSA-N -1 3 345.355 -0.017 20 0 EBADHM C[C@@H](NC(=O)C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CN(C)CCO1 ZINC001323627846 839488714 /nfs/dbraw/zinc/48/87/14/839488714.db2.gz VNTJYMLCDJMVEQ-YGRLFVJLSA-N -1 3 339.367 -0.017 20 0 EBADHM Cn1c2[nH]c(CCC(=O)[N-]OCc3cccnc3)nc2c(=O)[nH]c1=O ZINC001324247659 839616050 /nfs/dbraw/zinc/61/60/50/839616050.db2.gz ZBYYINWTOICQIK-UHFFFAOYSA-N -1 3 344.331 -0.062 20 0 EBADHM Cc1ncccc1C(=O)N(CCO)CCNCc1nc(=O)n(C)[n-]1 ZINC001326080520 840026647 /nfs/dbraw/zinc/02/66/47/840026647.db2.gz RGPVTRQLAKFICJ-UHFFFAOYSA-N -1 3 334.380 -0.964 20 0 EBADHM C[C@H]1CC[C@@H](C(=O)N(CCO)CCNCc2nc(=O)n(C)[n-]2)C1 ZINC001326102026 840033429 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COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC001329936855 841068352 /nfs/dbraw/zinc/06/83/52/841068352.db2.gz FWUAJUPJJGDMGY-WBMJQRKESA-N -1 3 341.408 -0.511 20 0 EBADHM Cn1nc(C(F)(F)F)cc1NC(=O)C(=O)[N-]N1CC(=O)N(C)C1=O ZINC001330088093 841113611 /nfs/dbraw/zinc/11/36/11/841113611.db2.gz OBYDJGNHPNWAOA-UHFFFAOYSA-N -1 3 348.241 -0.697 20 0 EBADHM C[C@H](CCCNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccn(C)c(=O)c1 ZINC001330853867 841282988 /nfs/dbraw/zinc/28/29/88/841282988.db2.gz XUNKMEXARURXMK-SNVBAGLBSA-N -1 3 334.380 -0.103 20 0 EBADHM COc1ccc(C(=O)N[C@@H](C)CCCNCc2n[nH]c(=O)[n-]2)nn1 ZINC001330955383 841302060 /nfs/dbraw/zinc/30/20/60/841302060.db2.gz QLMUFSDNMDBQCS-VIFPVBQESA-N -1 3 335.368 -0.003 20 0 EBADHM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC001332122306 841577768 /nfs/dbraw/zinc/57/77/68/841577768.db2.gz VGEOLGSLRYJUQA-MRXNPFEDSA-N -1 3 343.424 -0.265 20 0 EBADHM C[C@H](CNC(=O)CN1C(=O)CNC1=O)N(C)C(=O)c1ccccc1[O-] ZINC001334553155 842079111 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OGZHDDONQHNNKA-UHFFFAOYSA-N -1 3 341.393 -0.854 20 0 EBADHM CC(=O)N1CCN(C(=O)CS(=O)(=O)c2nnc(C3CC3)[n-]2)CC1 ZINC000299249504 155150382 /nfs/dbraw/zinc/15/03/82/155150382.db2.gz OGZHDDONQHNNKA-UHFFFAOYSA-N -1 3 341.393 -0.854 20 0 EBADHM CCO[C@H](C)C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000299461041 155156456 /nfs/dbraw/zinc/15/64/56/155156456.db2.gz VOGVCNOCSGPSSA-MRVPVSSYSA-N -1 3 334.332 -0.304 20 0 EBADHM CCO[C@H](C)C(=O)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000299461041 155156459 /nfs/dbraw/zinc/15/64/59/155156459.db2.gz VOGVCNOCSGPSSA-MRVPVSSYSA-N -1 3 334.332 -0.304 20 0 EBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCNC(=O)C1CC1 ZINC000299441150 155156804 /nfs/dbraw/zinc/15/68/04/155156804.db2.gz HWURXSFCIUFRAS-UHFFFAOYSA-N -1 3 344.393 -0.788 20 0 EBADHM CCNC(=O)[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000299453033 155156965 /nfs/dbraw/zinc/15/69/65/155156965.db2.gz RUBZMDMLZWVMRT-MRVPVSSYSA-N -1 3 332.382 -0.789 20 0 EBADHM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1=O ZINC000318656493 155179198 /nfs/dbraw/zinc/17/91/98/155179198.db2.gz XFVBLFKRLWBBOJ-OPRDCNLKSA-N -1 3 332.378 -0.605 20 0 EBADHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCC[C@@H]2C(=O)NC[C@@H]21 ZINC000323081358 155183115 /nfs/dbraw/zinc/18/31/15/155183115.db2.gz UGILODVGQXPBNQ-WPRPVWTQSA-N -1 3 342.377 -0.515 20 0 EBADHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCC[C@@H]2C(=O)NC[C@@H]21 ZINC000323081358 155183116 /nfs/dbraw/zinc/18/31/16/155183116.db2.gz UGILODVGQXPBNQ-WPRPVWTQSA-N -1 3 342.377 -0.515 20 0 EBADHM CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000328996747 155201015 /nfs/dbraw/zinc/20/10/15/155201015.db2.gz FPGALLVNEFXSMG-QWRGUYRKSA-N -1 3 338.364 -0.383 20 0 EBADHM O=C([C@@H]1COCCN1CC(F)F)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329286051 155217959 /nfs/dbraw/zinc/21/79/59/155217959.db2.gz OOFPUUVTXQMJEI-IUCAKERBSA-N -1 3 332.307 -0.445 20 0 EBADHM O=C(Cn1nc2ccccn2c1=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329416095 155224555 /nfs/dbraw/zinc/22/45/55/155224555.db2.gz FOUNFTOXYIRBKC-SECBINFHSA-N -1 3 330.304 -0.901 20 0 EBADHM Cn1c2ccccc2n(CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1=O ZINC000329471050 155227291 /nfs/dbraw/zinc/22/72/91/155227291.db2.gz ZFXXOTVAIYUJEK-GFCCVEGCSA-N -1 3 343.343 -0.057 20 0 EBADHM CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000329741219 155237249 /nfs/dbraw/zinc/23/72/49/155237249.db2.gz VVHWEGLOOYYCHG-NSHDSACASA-N -1 3 329.426 -0.810 20 0 EBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@]3(CCOC3)C2)cn1C ZINC000329848863 155242225 /nfs/dbraw/zinc/24/22/25/155242225.db2.gz ZDJKFTFFAZVITI-AWEZNQCLSA-N -1 3 342.421 -0.354 20 0 EBADHM O=C(Cc1ccc(-n2cnnn2)cc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000330137413 155256804 /nfs/dbraw/zinc/25/68/04/155256804.db2.gz NTRATTZEVZSCHW-GFCCVEGCSA-N -1 3 341.331 -0.192 20 0 EBADHM CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000330404779 155268845 /nfs/dbraw/zinc/26/88/45/155268845.db2.gz VVDPTFXJXPFKCA-QWRGUYRKSA-N -1 3 338.408 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/nfs/dbraw/zinc/36/50/96/155365096.db2.gz NWCQKDXREBIHDH-UHFFFAOYSA-N -1 3 330.410 -0.620 20 0 EBADHM CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@@H]1CCOC1 ZINC000106851441 154090160 /nfs/dbraw/zinc/09/01/60/154090160.db2.gz IJHOIFMTNJUFJK-SSDOTTSWSA-N -1 3 332.154 -0.454 20 0 EBADHM CC[C@H](C)[C@@H](O)CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000155424807 154092341 /nfs/dbraw/zinc/09/23/41/154092341.db2.gz BMXALALHJNTOIA-CBAPKCEASA-N -1 3 348.197 -0.178 20 0 EBADHM CCC[C@](C)(CO)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000180221062 154126976 /nfs/dbraw/zinc/12/69/76/154126976.db2.gz FOQDRDRPBZXIRQ-GFCCVEGCSA-N -1 3 348.197 -0.034 20 0 EBADHM Cc1ccc(CNC(=O)CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1F ZINC000332105951 155417620 /nfs/dbraw/zinc/41/76/20/155417620.db2.gz UFYNDSZVNNZYFJ-ZDUSSCGKSA-N -1 3 334.351 -0.014 20 0 EBADHM CO[C@H](C)[C@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000190427963 154155623 /nfs/dbraw/zinc/15/56/23/154155623.db2.gz VPNIIEVBEYWRTM-NKWVEPMBSA-N -1 3 334.170 -0.161 20 0 EBADHM C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332118728 155420125 /nfs/dbraw/zinc/42/01/25/155420125.db2.gz YJWSEODOGGUXDW-PWSUYJOCSA-N -1 3 330.344 -0.433 20 0 EBADHM Cn1cc(S(=O)(=O)[N-]C[C@H](N)c2ccccc2)c(=O)n(C)c1=O ZINC000237803784 154176264 /nfs/dbraw/zinc/17/62/64/154176264.db2.gz YOUFHTORDZQSLD-NSHDSACASA-N -1 3 338.389 -0.938 20 0 EBADHM O=C(CCN1CCN(C(=O)c2cccc([O-])c2)CC1)N1CCNCC1 ZINC000262266052 154221772 /nfs/dbraw/zinc/22/17/72/154221772.db2.gz YATVKRGETJKMIG-UHFFFAOYSA-N -1 3 346.431 -0.028 20 0 EBADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCNCC2)cc1F ZINC000262779560 154247873 /nfs/dbraw/zinc/24/78/73/154247873.db2.gz YOLLGHSRBJNBRF-UHFFFAOYSA-N -1 3 337.398 -0.209 20 0 EBADHM CCN1C[C@@H](C(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)CC1=O ZINC000262915399 154249995 /nfs/dbraw/zinc/24/99/95/154249995.db2.gz KHKGYBMUMGWLJH-NWDGAFQWSA-N -1 3 327.381 -0.901 20 0 EBADHM COCCN1CC[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000264568346 154285663 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Cn1cc(N2CC[C@H]([N-]S(=O)(=O)C[C@H]3CCCO3)C2=O)cn1 ZINC000265388607 154313884 /nfs/dbraw/zinc/31/38/84/154313884.db2.gz HAKZGQGZMTUEOZ-NEPJUHHUSA-N -1 3 328.394 -0.376 20 0 EBADHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)[C@H]2CCOC2)s1 ZINC000265530703 154319407 /nfs/dbraw/zinc/31/94/07/154319407.db2.gz PPUMZOKUYIAVKX-VIFPVBQESA-N -1 3 340.448 -0.136 20 0 EBADHM CCN(CC)S(=O)(=O)[N-]c1cnn(CC(=O)NCCOC)c1 ZINC000266119681 154336016 /nfs/dbraw/zinc/33/60/16/154336016.db2.gz YITMVCGMCYTKQR-UHFFFAOYSA-N -1 3 333.414 -0.356 20 0 EBADHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)o1 ZINC000266188202 154340321 /nfs/dbraw/zinc/34/03/21/154340321.db2.gz DGKLBDPJTJHXHY-WDEREUQCSA-N -1 3 345.421 -0.285 20 0 EBADHM O=C(CN1CC(=O)[N-]C1=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000266493326 154345715 /nfs/dbraw/zinc/34/57/15/154345715.db2.gz TWGHYDHCPZQQHE-UHFFFAOYSA-N -1 3 340.343 -0.161 20 0 EBADHM CCOC(=O)N1CCN(C(=O)Cn2cc(Cl)c(=O)[n-]c2=O)CC1 ZINC000266847208 154355527 /nfs/dbraw/zinc/35/55/27/154355527.db2.gz QGABTPGGTJSRDI-UHFFFAOYSA-N -1 3 344.755 -0.097 20 0 EBADHM C=CC(=O)NCCNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000267141861 154365187 /nfs/dbraw/zinc/36/51/87/154365187.db2.gz YBSQSLKQZVOODP-MRXNPFEDSA-N -1 3 330.344 -0.227 20 0 EBADHM CC(C)OCCS(=O)(=O)[N-][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000267240927 154369411 /nfs/dbraw/zinc/36/94/11/154369411.db2.gz YEQGHVQPKMNBMC-LBPRGKRZSA-N -1 3 330.410 -0.130 20 0 EBADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCN2CCOCC2)c(C)o1 ZINC000267635407 154384191 /nfs/dbraw/zinc/38/41/91/154384191.db2.gz XSPIEGPMCQQWIS-UHFFFAOYSA-N -1 3 345.421 -0.100 20 0 EBADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@H](C)C(=O)NC)c(C)o1 ZINC000267614378 154384475 /nfs/dbraw/zinc/38/44/75/154384475.db2.gz SMLGOOCKXYHCCA-QMMMGPOBSA-N -1 3 331.394 -0.050 20 0 EBADHM CN(C)c1ncccc1NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268087708 154399097 /nfs/dbraw/zinc/39/90/97/154399097.db2.gz HYWVWTREBMVJSV-UHFFFAOYSA-N -1 3 338.393 -0.202 20 0 EBADHM CC[C@@H]1CO[C@@H](C)CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268077138 154399174 /nfs/dbraw/zinc/39/91/74/154399174.db2.gz FHORDDJEMRKPRT-WDEREUQCSA-N -1 3 330.410 -0.276 20 0 EBADHM CCOC(=O)CCCNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268086406 154399704 /nfs/dbraw/zinc/39/97/04/154399704.db2.gz HXDDBBABRPBGHQ-UHFFFAOYSA-N -1 3 332.382 -0.842 20 0 EBADHM CC[C@H]1CO[C@@H](C)CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268077137 154399854 /nfs/dbraw/zinc/39/98/54/154399854.db2.gz FHORDDJEMRKPRT-QWRGUYRKSA-N -1 3 330.410 -0.276 20 0 EBADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC3(C2)CCOCC3)c1 ZINC000268070283 154399951 /nfs/dbraw/zinc/39/99/51/154399951.db2.gz CIFHJVHLUSTLJK-UHFFFAOYSA-N -1 3 342.421 -0.273 20 0 EBADHM C[C@H]1C[C@@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000271400512 154525269 /nfs/dbraw/zinc/52/52/69/154525269.db2.gz RKDPSCCKPRAHME-QWRGUYRKSA-N -1 3 330.410 -0.370 20 0 EBADHM Cn1cc(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)c(=O)[n-]c1=O ZINC000272927413 154573060 /nfs/dbraw/zinc/57/30/60/154573060.db2.gz NMWWBIODMLSEHI-LBPRGKRZSA-N -1 3 347.327 -0.680 20 0 EBADHM CCN1CCN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC1=O ZINC000273359164 154586477 /nfs/dbraw/zinc/58/64/77/154586477.db2.gz ZZKYHFHHYZLNRL-UHFFFAOYSA-N -1 3 329.378 -0.200 20 0 EBADHM COC[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1F)OC ZINC000290720915 155007382 /nfs/dbraw/zinc/00/73/82/155007382.db2.gz NEFVTJBJFLUCKP-SNVBAGLBSA-N -1 3 334.369 -0.118 20 0 EBADHM COCCOCCN(C)C(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000290761113 155009668 /nfs/dbraw/zinc/00/96/68/155009668.db2.gz ZWYFDIRPKIPRJQ-UHFFFAOYSA-N -1 3 349.409 -0.309 20 0 EBADHM COC[C@]1(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)OCCc2ccccc21 ZINC000291093371 155015768 /nfs/dbraw/zinc/01/57/68/155015768.db2.gz ARYGJPNZJXFUGF-GUYCJALGSA-N -1 3 347.371 -0.185 20 0 EBADHM NC(=O)N[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000291536687 155021591 /nfs/dbraw/zinc/02/15/91/155021591.db2.gz WXLSMIXLZGBVDC-VIFPVBQESA-N -1 3 344.368 -0.627 20 0 EBADHM CCS(=O)(=O)NCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291660668 155023524 /nfs/dbraw/zinc/02/35/24/155023524.db2.gz XOLLVIZKQMQMGC-UHFFFAOYSA-N -1 3 342.377 -0.540 20 0 EBADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)OC ZINC000292046013 155029604 /nfs/dbraw/zinc/02/96/04/155029604.db2.gz ZYYJOHDBEXRORO-ZETCQYMHSA-N -1 3 337.379 -0.432 20 0 EBADHM CC(C)(CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)OCCO ZINC000292205165 155030502 /nfs/dbraw/zinc/03/05/02/155030502.db2.gz YMJRQCPRWHYGPF-UHFFFAOYSA-N -1 3 349.387 -0.016 20 0 EBADHM CNC(=O)NCCC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000293129341 155041934 /nfs/dbraw/zinc/04/19/34/155041934.db2.gz VMSJWZZSTCITEF-OAHLLOKOSA-N -1 3 333.348 -0.001 20 0 EBADHM Cn1cnn(CCC(=O)NCCCNC(=O)c2cccc([O-])c2)c1=O ZINC000293680944 155050063 /nfs/dbraw/zinc/05/00/63/155050063.db2.gz KUERFTXWEBBENL-UHFFFAOYSA-N -1 3 347.375 -0.386 20 0 EBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)co1 ZINC000293658366 155050464 /nfs/dbraw/zinc/05/04/64/155050464.db2.gz LBHAJWBQRDZKQC-ZYHUDNBSSA-N -1 3 345.421 -0.285 20 0 EBADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2COC[C@H]2O)cc(F)c1F ZINC000295225877 155067082 /nfs/dbraw/zinc/06/70/82/155067082.db2.gz BSKQHVWJISBAAI-NXEZZACHSA-N -1 3 337.300 -0.211 20 0 EBADHM CN(C(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(C)(C)C(N)=O ZINC000296023938 155073294 /nfs/dbraw/zinc/07/32/94/155073294.db2.gz VCXNEQIMILLVLE-UHFFFAOYSA-N -1 3 332.360 -0.198 20 0 EBADHM COCC1(O)CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC000296907501 155079273 /nfs/dbraw/zinc/07/92/73/155079273.db2.gz MENTWPLRRXIATF-UHFFFAOYSA-N -1 3 349.318 -0.293 20 0 EBADHM COCC1(O)CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC000296907501 155079278 /nfs/dbraw/zinc/07/92/78/155079278.db2.gz MENTWPLRRXIATF-UHFFFAOYSA-N -1 3 349.318 -0.293 20 0 EBADHM C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)CC(=O)N1 ZINC000297511454 155083985 /nfs/dbraw/zinc/08/39/85/155083985.db2.gz YXHMOBGDHJUENK-SECBINFHSA-N -1 3 346.434 -0.444 20 0 EBADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCNS(C)(=O)=O ZINC000298216250 155104300 /nfs/dbraw/zinc/10/43/00/155104300.db2.gz NWFKTDVVQXYVKD-UHFFFAOYSA-N -1 3 342.420 -0.638 20 0 EBADHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N(CC(N)=O)CC(C)C ZINC000298384665 155110164 /nfs/dbraw/zinc/11/01/64/155110164.db2.gz DIXKLXLHOKHRMN-UHFFFAOYSA-N -1 3 332.382 -0.282 20 0 EBADHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N(CC(N)=O)CC(C)C ZINC000298384665 155110168 /nfs/dbraw/zinc/11/01/68/155110168.db2.gz DIXKLXLHOKHRMN-UHFFFAOYSA-N -1 3 332.382 -0.282 20 0 EBADHM CC(C)(CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(N)=O ZINC000298580419 155115003 /nfs/dbraw/zinc/11/50/03/155115003.db2.gz LUIJZIBWIXLREK-UHFFFAOYSA-N -1 3 347.169 -0.661 20 0 EBADHM CN(C)C(=O)CNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000298646320 155115933 /nfs/dbraw/zinc/11/59/33/155115933.db2.gz HQYMEFDNSCIRSK-UHFFFAOYSA-N -1 3 330.344 -0.125 20 0 EBADHM CC(=O)Nc1ccc(CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1 ZINC000332605432 155472375 /nfs/dbraw/zinc/47/23/75/155472375.db2.gz DQSWJQWNALEVET-CYBMUJFWSA-N -1 3 330.344 -0.050 20 0 EBADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H](CO)CC2CCCC2)c1 ZINC000338249081 155634072 /nfs/dbraw/zinc/63/40/72/155634072.db2.gz OKCCKPYKDHUROC-LBPRGKRZSA-N -1 3 344.437 -0.244 20 0 EBADHM COC(=O)[C@H]1CN(C(=O)CNC(=O)c2cccc([O-])c2)C[C@H](C)O1 ZINC000338331921 155640711 /nfs/dbraw/zinc/64/07/11/155640711.db2.gz RFNCFIAGVRDTHB-GXFFZTMASA-N -1 3 336.344 -0.089 20 0 EBADHM CNC(=O)NCC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000341142177 155937486 /nfs/dbraw/zinc/93/74/86/155937486.db2.gz XABGKCCMKJSNEP-HNNXBMFYSA-N -1 3 333.348 -0.714 20 0 EBADHM COCCN(CCO)C(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000342230807 156018533 /nfs/dbraw/zinc/01/85/33/156018533.db2.gz UGWNERMWHDYOBD-SNVBAGLBSA-N -1 3 349.409 -0.574 20 0 EBADHM CN(C(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@@H]1COC[C@@H]1O ZINC000342499720 156038772 /nfs/dbraw/zinc/03/87/72/156038772.db2.gz WGRNWKLMDJBEQQ-OLZOCXBDSA-N -1 3 333.344 -0.290 20 0 EBADHM COC(=O)c1ccc(NC(=O)CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1 ZINC000342493600 156038798 /nfs/dbraw/zinc/03/87/98/156038798.db2.gz CMZTZZLISAYUCO-LBPRGKRZSA-N -1 3 346.343 -0.352 20 0 EBADHM CCOC(=O)C[C@H](O)C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000342475681 156039041 /nfs/dbraw/zinc/03/90/41/156039041.db2.gz XHWXUKHAWUEZRG-HFBDOXOYSA-N -1 3 341.364 -0.720 20 0 EBADHM COc1ccc(CNC(=O)CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1 ZINC000342535237 156040200 /nfs/dbraw/zinc/04/02/00/156040200.db2.gz UVIJJTXVCBUBGD-ZDUSSCGKSA-N -1 3 332.360 -0.453 20 0 EBADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC)C(N)=O ZINC000342987454 156081751 /nfs/dbraw/zinc/08/17/51/156081751.db2.gz FWYUUZHDFRQDCU-JTQLQIEISA-N -1 3 348.352 -0.219 20 0 EBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H](O)C(F)(F)F)cn1C ZINC000343715881 156161408 /nfs/dbraw/zinc/16/14/08/156161408.db2.gz DJFIHHPMAVZRDP-SSDOTTSWSA-N -1 3 344.315 -0.954 20 0 EBADHM CO[C@H]1C[C@H](C(=O)N2CCCC2)N(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000343741097 156163451 /nfs/dbraw/zinc/16/34/51/156163451.db2.gz MXYZQYMSISBZJW-GXSJLCMTSA-N -1 3 331.380 -0.067 20 0 EBADHM COc1ccc(-n2cc(CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)nn2)cc1 ZINC000343825292 156170007 /nfs/dbraw/zinc/17/00/07/156170007.db2.gz HDBSUMYKNLYDTQ-LBPRGKRZSA-N -1 3 344.331 -0.510 20 0 EBADHM CCOC(=O)[C@]1(COC)CCCN(C(=O)C[C@H]2NC(=O)[N-]C2=O)C1 ZINC000343871433 156175521 /nfs/dbraw/zinc/17/55/21/156175521.db2.gz AZYORDDMBFHTEZ-MEBBXXQBSA-N -1 3 341.364 -0.597 20 0 EBADHM CCOC(=O)[C@@]1(COC)CCCN(C(=O)C[C@H]2NC(=O)[N-]C2=O)C1 ZINC000343871430 156175541 /nfs/dbraw/zinc/17/55/41/156175541.db2.gz AZYORDDMBFHTEZ-BMIGLBTASA-N -1 3 341.364 -0.597 20 0 EBADHM COCC[C@@H](CO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000343914175 156188235 /nfs/dbraw/zinc/18/82/35/156188235.db2.gz MHWOPVDEFZVWHZ-ONGXEEELSA-N -1 3 349.409 -0.528 20 0 EBADHM CC(=O)N[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)CC(=O)[O-])C1)C1CCCC1 ZINC000343927802 156190347 /nfs/dbraw/zinc/19/03/47/156190347.db2.gz JVFKQJTWOQHAIA-YDHLFZDLSA-N -1 3 341.408 -0.731 20 0 EBADHM COCC[C@H](CO)NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000343950916 156191016 /nfs/dbraw/zinc/19/10/16/156191016.db2.gz QIMRVJFFKMOZLP-WBMJQRKESA-N -1 3 335.360 -0.132 20 0 EBADHM Cc1ccn(C)c(=O)c1NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000343963408 156194299 /nfs/dbraw/zinc/19/42/99/156194299.db2.gz CRJLUVVPKZBVGR-UHFFFAOYSA-N -1 3 339.377 -0.656 20 0 EBADHM CN(Cc1ccccc1)C(=O)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000344071394 156201323 /nfs/dbraw/zinc/20/13/23/156201323.db2.gz VZRHZSRZNGZKQX-UHFFFAOYSA-N -1 3 331.332 -0.142 20 0 EBADHM CCN(C(=O)Cn1cc(Cl)c(=O)[n-]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000344164483 156208088 /nfs/dbraw/zinc/20/80/88/156208088.db2.gz XHELSNOKAUGYCK-QMMMGPOBSA-N -1 3 349.796 -0.362 20 0 EBADHM C[C@@]1(c2ccc(C(=O)N[C@H]3CCC(=O)NC3=O)cc2)NC(=O)[N-]C1=O ZINC000344247576 156213119 /nfs/dbraw/zinc/21/31/19/156213119.db2.gz QAKVVKPPYIHYGI-QFYYESIMSA-N -1 3 344.327 -0.724 20 0 EBADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000344310689 156215848 /nfs/dbraw/zinc/21/58/48/156215848.db2.gz JBOIICBIDBZVME-JBLDHEPKSA-N -1 3 341.314 -0.062 20 0 EBADHM CN1CCN(c2ccc(NC(=O)c3[nH]c(=O)[n-]c(=O)c3N)cn2)CC1 ZINC000344311820 156217344 /nfs/dbraw/zinc/21/73/44/156217344.db2.gz BYZLRTCZTONRCS-UHFFFAOYSA-N -1 3 345.363 -0.131 20 0 EBADHM COC(=O)Cc1n[n-]c(NC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)n1 ZINC000344389265 156222306 /nfs/dbraw/zinc/22/23/06/156222306.db2.gz BDMLBWCJGWYJCG-OAHLLOKOSA-N -1 3 349.347 -0.620 20 0 EBADHM COC(=O)Cc1nnc(NC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)[n-]1 ZINC000344389265 156222309 /nfs/dbraw/zinc/22/23/09/156222309.db2.gz BDMLBWCJGWYJCG-OAHLLOKOSA-N -1 3 349.347 -0.620 20 0 EBADHM COC(=O)Cc1nc(NC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)n[n-]1 ZINC000344389265 156222313 /nfs/dbraw/zinc/22/23/13/156222313.db2.gz BDMLBWCJGWYJCG-OAHLLOKOSA-N -1 3 349.347 -0.620 20 0 EBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2nc(C)n(C)n2)cn1C ZINC000344596082 156245947 /nfs/dbraw/zinc/24/59/47/156245947.db2.gz VWEYRKVWCWCOEE-UHFFFAOYSA-N -1 3 327.370 -0.918 20 0 EBADHM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000344712495 156257840 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583819328 /nfs/dbraw/zinc/81/93/28/583819328.db2.gz JSPSXEXJJAVIKV-UHFFFAOYSA-N -1 3 346.347 -0.604 20 0 EBADHM NC(=O)C1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000822859901 583819330 /nfs/dbraw/zinc/81/93/30/583819330.db2.gz JSPSXEXJJAVIKV-UHFFFAOYSA-N -1 3 346.347 -0.604 20 0 EBADHM NC(=O)c1cnn(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822890198 583821008 /nfs/dbraw/zinc/82/10/08/583821008.db2.gz PKOLTXWAXBTZMM-UHFFFAOYSA-N -1 3 326.320 -0.522 20 0 EBADHM NC(=O)c1cnn(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822890198 583821010 /nfs/dbraw/zinc/82/10/10/583821010.db2.gz PKOLTXWAXBTZMM-UHFFFAOYSA-N -1 3 326.320 -0.522 20 0 EBADHM NS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000822894672 583821028 /nfs/dbraw/zinc/82/10/28/583821028.db2.gz FBBKUUQKLMWENY-JTQLQIEISA-N -1 3 326.357 -0.131 20 0 EBADHM NS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000822894672 583821031 /nfs/dbraw/zinc/82/10/31/583821031.db2.gz FBBKUUQKLMWENY-JTQLQIEISA-N -1 3 326.357 -0.131 20 0 EBADHM O=C(CN1CCN2C(=O)NC[C@@H]2C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822996762 583822275 /nfs/dbraw/zinc/82/22/75/583822275.db2.gz IRWKRFSZAMPRHR-GFCCVEGCSA-N -1 3 342.363 -0.485 20 0 EBADHM O=C(CN1CCN2C(=O)NC[C@@H]2C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822996762 583822278 /nfs/dbraw/zinc/82/22/78/583822278.db2.gz IRWKRFSZAMPRHR-GFCCVEGCSA-N -1 3 342.363 -0.485 20 0 EBADHM O=C(CCN1CCO[C@H](CO)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000822969048 583822289 /nfs/dbraw/zinc/82/22/89/583822289.db2.gz GZLFICAWPZEWAA-NSHDSACASA-N -1 3 332.364 -0.112 20 0 EBADHM O=C(CCN1CCO[C@H](CO)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000822969048 583822291 /nfs/dbraw/zinc/82/22/91/583822291.db2.gz GZLFICAWPZEWAA-NSHDSACASA-N -1 3 332.364 -0.112 20 0 EBADHM O=C(CN1C[C@@H](O)[C@@H](O)C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823002270 583822674 /nfs/dbraw/zinc/82/26/74/583822674.db2.gz VZZYBYPQLWEATA-PHIMTYICSA-N -1 3 338.755 -0.504 20 0 EBADHM O=C(CN1C[C@@H](O)[C@@H](O)C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823002270 583822675 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CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826090767 583878039 /nfs/dbraw/zinc/87/80/39/583878039.db2.gz OCXBYUFZQRNCDT-QMMMGPOBSA-N -1 3 339.381 -0.651 20 0 EBADHM COC(=O)[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826103437 583878379 /nfs/dbraw/zinc/87/83/79/583878379.db2.gz GSIDNEGBQRJFDT-VXGBXAGGSA-N -1 3 331.332 -0.032 20 0 EBADHM COC(=O)[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826103437 583878382 /nfs/dbraw/zinc/87/83/82/583878382.db2.gz GSIDNEGBQRJFDT-VXGBXAGGSA-N -1 3 331.332 -0.032 20 0 EBADHM COC(=O)[C@H](NCc1ncn(C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826112352 583879268 /nfs/dbraw/zinc/87/92/68/583879268.db2.gz YHXAVVKWWBHZAO-GFCCVEGCSA-N -1 3 328.336 -0.001 20 0 EBADHM COC(=O)[C@H](NCc1ncn(C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826112352 583879271 /nfs/dbraw/zinc/87/92/71/583879271.db2.gz YHXAVVKWWBHZAO-GFCCVEGCSA-N -1 3 328.336 -0.001 20 0 EBADHM COC(=O)[C@@]1(NC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC000826123637 583880332 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MSWAYEYDCJRIDJ-JTQLQIEISA-N -1 3 327.366 -0.458 20 0 EBADHM COC[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000826153206 583884906 /nfs/dbraw/zinc/88/49/06/583884906.db2.gz FOIFSQBLEOIFPB-CHWSQXEVSA-N -1 3 333.348 -0.226 20 0 EBADHM COC[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826153206 583884908 /nfs/dbraw/zinc/88/49/08/583884908.db2.gz FOIFSQBLEOIFPB-CHWSQXEVSA-N -1 3 333.348 -0.226 20 0 EBADHM COCC[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000826154232 583885492 /nfs/dbraw/zinc/88/54/92/583885492.db2.gz KYAZIUUUFJTQCP-JTQLQIEISA-N -1 3 340.365 -0.965 20 0 EBADHM COCC[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000826154232 583885494 /nfs/dbraw/zinc/88/54/94/583885494.db2.gz KYAZIUUUFJTQCP-JTQLQIEISA-N -1 3 340.365 -0.965 20 0 EBADHM COCCCOCC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826156431 583885509 /nfs/dbraw/zinc/88/55/09/583885509.db2.gz CQIMQCBYTKAYDO-UHFFFAOYSA-N -1 3 335.368 -0.157 20 0 EBADHM COCCCOCC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826156431 583885511 /nfs/dbraw/zinc/88/55/11/583885511.db2.gz CQIMQCBYTKAYDO-UHFFFAOYSA-N -1 3 335.368 -0.157 20 0 EBADHM COCCS(=O)(=O)CCCn1nc(C)c(-c2nnn[n-]2)c1N ZINC000826163169 583886178 /nfs/dbraw/zinc/88/61/78/583886178.db2.gz IYWYLGPXALSZDC-UHFFFAOYSA-N -1 3 329.386 -0.595 20 0 EBADHM COCCS(=O)(=O)CCCn1nc(C)c(-c2nn[n-]n2)c1N ZINC000826163169 583886180 /nfs/dbraw/zinc/88/61/80/583886180.db2.gz IYWYLGPXALSZDC-UHFFFAOYSA-N -1 3 329.386 -0.595 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826169379 583886582 /nfs/dbraw/zinc/88/65/82/583886582.db2.gz QPTJIYOJZGCLLI-LLVKDONJSA-N -1 3 346.391 -0.100 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826169379 583886583 /nfs/dbraw/zinc/88/65/83/583886583.db2.gz QPTJIYOJZGCLLI-LLVKDONJSA-N -1 3 346.391 -0.100 20 0 EBADHM COCc1noc(CN(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826166130 583886679 /nfs/dbraw/zinc/88/66/79/583886679.db2.gz WXTWZFAXLLROMV-UHFFFAOYSA-N -1 3 348.371 -0.234 20 0 EBADHM COCc1noc(CN(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826166130 583886682 /nfs/dbraw/zinc/88/66/82/583886682.db2.gz WXTWZFAXLLROMV-UHFFFAOYSA-N -1 3 348.371 -0.234 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN(C(=O)CO)CC1 ZINC000826168868 583886901 /nfs/dbraw/zinc/88/69/01/583886901.db2.gz AWGZNJDNQCBLKW-UHFFFAOYSA-N -1 3 332.364 -0.488 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(C(=O)CO)CC1 ZINC000826168868 583886902 /nfs/dbraw/zinc/88/69/02/583886902.db2.gz AWGZNJDNQCBLKW-UHFFFAOYSA-N -1 3 332.364 -0.488 20 0 EBADHM COc1ccc(CN2CCN(C(=O)CO)CC2)cc1-c1nnn[n-]1 ZINC000826195010 583887077 /nfs/dbraw/zinc/88/70/77/583887077.db2.gz DSERGMKOUPPHGC-UHFFFAOYSA-N -1 3 332.364 -0.488 20 0 EBADHM COc1ccc(CN2CCN(C(=O)CO)CC2)cc1-c1nn[n-]n1 ZINC000826195010 583887079 /nfs/dbraw/zinc/88/70/79/583887079.db2.gz DSERGMKOUPPHGC-UHFFFAOYSA-N -1 3 332.364 -0.488 20 0 EBADHM COc1ccc(CNC(=O)N[C@@H]2CCCNC2=O)cc1-c1nnn[n-]1 ZINC000826199477 583887743 /nfs/dbraw/zinc/88/77/43/583887743.db2.gz 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CC(C)(C)NC(=O)C1=NO[C@@H]2CN(C(=O)c3c[nH]c(=O)[n-]c3=O)C[C@H]12 ZINC001270176938 815709258 /nfs/dbraw/zinc/70/92/58/815709258.db2.gz XZPDCJFONHALKZ-DTWKUNHWSA-N -1 3 349.347 -0.371 20 0 EBADHM O=C(Nc1nnco1)[C@@]12C[C@@H]1CCN2C(=O)c1c[nH]c(=O)[n-]c1=O ZINC001270176709 815709333 /nfs/dbraw/zinc/70/93/33/815709333.db2.gz VIRQJFQSMHASKC-DAZKTRTLSA-N -1 3 332.276 -0.486 20 0 EBADHM Cc1cc(CN2CC[C@H]3[C@@H]2CCN3C(=O)Cc2nn[n-]n2)n(C)n1 ZINC001270182475 815712977 /nfs/dbraw/zinc/71/29/77/815712977.db2.gz GADYXKFJZIKWLW-STQMWFEESA-N -1 3 330.396 -0.340 20 0 EBADHM COCCOCN1CC[C@@]2(C1)CCCN(C(=O)Cc1nn[n-]n1)C2 ZINC001270183185 815714786 /nfs/dbraw/zinc/71/47/86/815714786.db2.gz RNTDOSLGSJPYRN-OAHLLOKOSA-N -1 3 338.412 -0.323 20 0 EBADHM NC(=O)CC(=O)N1C[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001084243068 815872320 /nfs/dbraw/zinc/87/23/20/815872320.db2.gz WDKHWUGTRVNKPS-DGCLKSJQSA-N -1 3 345.403 -0.032 20 0 EBADHM O=C(c1ncccc1[O-])N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]21 ZINC001084299832 815885570 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ZIKDAVOPQHFVIS-DMDPSCGWSA-N -1 3 346.391 -0.401 20 0 EBADHM C[C@H](CNCc1nc(=O)n(C)[n-]1)N(C)C(=O)c1ccc2nncn2c1 ZINC001271138556 816000059 /nfs/dbraw/zinc/00/00/59/816000059.db2.gz XMYNRRIIPQXHKK-SNVBAGLBSA-N -1 3 344.379 -0.599 20 0 EBADHM Cn1[n-]c(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2[C@@H]3COC[C@@H]32)nc1=O ZINC001085302789 816039036 /nfs/dbraw/zinc/03/90/36/816039036.db2.gz DWJMYCRQAKINDG-OJROKELRSA-N -1 3 335.408 -0.482 20 0 EBADHM Cn1nccc1CN1CC(O)(CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001271289373 816064750 /nfs/dbraw/zinc/06/47/50/816064750.db2.gz KZTNREJPCQMXSB-UHFFFAOYSA-N -1 3 341.375 -0.332 20 0 EBADHM CCOCCOCC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001271459470 816113758 /nfs/dbraw/zinc/11/37/58/816113758.db2.gz TVQDTSZLNRAOIE-RYUDHWBXSA-N -1 3 341.412 -0.110 20 0 EBADHM CC(=O)[C@@H](C)N1C(=O)COCC12CN(C(=O)c1cnc[n-]c1=O)C2 ZINC001271630375 816169375 /nfs/dbraw/zinc/16/93/75/816169375.db2.gz MLVZUUQZIOHBSQ-SECBINFHSA-N -1 3 334.332 -0.787 20 0 EBADHM CC[C@@H](CN1CC[C@@H]1CN(C)C(=O)c1cc(=O)n2[n-]cnc2n1)OC ZINC001085924383 816179165 /nfs/dbraw/zinc/17/91/65/816179165.db2.gz VFTSOINLLJXBPO-NEPJUHHUSA-N -1 3 348.407 -0.011 20 0 EBADHM CO[C@@H](C)CN1CC[C@H]1CN(C)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001085923765 816179766 /nfs/dbraw/zinc/17/97/66/816179766.db2.gz GPJOFFKXFDIJBQ-QWRGUYRKSA-N -1 3 334.380 -0.401 20 0 EBADHM COCCN1CC[C@H]1CN(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001085924142 816180197 /nfs/dbraw/zinc/18/01/97/816180197.db2.gz OTXPETYOGMOYMR-VIFPVBQESA-N -1 3 326.353 -0.311 20 0 EBADHM CNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001085933126 816182324 /nfs/dbraw/zinc/18/23/24/816182324.db2.gz QCXSOSXMAWKBBP-LLVKDONJSA-N -1 3 344.371 -0.538 20 0 EBADHM CN1CC2(CN(C(=O)c3ccc(-c4nnn[n-]4)cc3)C2)OCC1=O ZINC001271797321 816214298 /nfs/dbraw/zinc/21/42/98/816214298.db2.gz AULPONSLUKWNBY-UHFFFAOYSA-N -1 3 328.332 -0.450 20 0 EBADHM CN1CC2(CN(C(=O)c3ccc(-c4nn[n-]n4)cc3)C2)OCC1=O ZINC001271797321 816214303 /nfs/dbraw/zinc/21/43/03/816214303.db2.gz AULPONSLUKWNBY-UHFFFAOYSA-N -1 3 328.332 -0.450 20 0 EBADHM Cn1[n-]c(CN[C@H]2C[C@@H](CNC(=O)[C@H]3CCCOCC3)C2)nc1=O ZINC001086073640 816222414 /nfs/dbraw/zinc/22/24/14/816222414.db2.gz ONOHRIXECDVAJQ-RWMBFGLXSA-N -1 3 337.424 -0.091 20 0 EBADHM CCOC1CC(C(=O)NC[C@H]2C[C@@H](NCc3nc(=O)n(C)[n-]3)C2)C1 ZINC001086077583 816223185 /nfs/dbraw/zinc/22/31/85/816223185.db2.gz GNXVMWYLSDREDY-UODQLWRSSA-N -1 3 337.424 -0.092 20 0 EBADHM CCn1nnc(C)c1C(=O)NC[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001086106182 816231900 /nfs/dbraw/zinc/23/19/00/816231900.db2.gz WGWJGUWTYYKPEY-AOOOYVTPSA-N -1 3 334.384 -0.272 20 0 EBADHM Cn1ccc(C(=O)NC[C@H]2C[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001086123392 816238435 /nfs/dbraw/zinc/23/84/35/816238435.db2.gz CAUZHBVYBBCHJK-JGZJWPJOSA-N -1 3 332.364 -0.493 20 0 EBADHM CO[C@H]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001086128141 816240653 /nfs/dbraw/zinc/24/06/53/816240653.db2.gz ADOADRCHCGBYSS-RNJOBUHISA-N -1 3 337.424 -0.092 20 0 EBADHM Cc1nc([C@H](C)N[C@H]2C[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n[nH]1 ZINC001086138655 816244822 /nfs/dbraw/zinc/24/48/22/816244822.db2.gz UUSSTBNTSJQQKU-CNUIFLNQSA-N -1 3 348.367 -0.431 20 0 EBADHM COCCn1ccc(C(=O)NC[C@H]2C[C@@H](NCc3n[nH]c(=O)[n-]3)C2)n1 ZINC001086145630 816248962 /nfs/dbraw/zinc/24/89/62/816248962.db2.gz ZRNMCXAXIVWKGP-PHIMTYICSA-N -1 3 349.395 -0.349 20 0 EBADHM NC(=O)[C@H]1C[C@@H]1C(=O)N1CCc2c([nH]nc2C(=O)[N-]c2nnco2)C1 ZINC001271934951 816256899 /nfs/dbraw/zinc/25/68/99/816256899.db2.gz LSCKRBZYIRRHTR-YUMQZZPRSA-N -1 3 345.319 -0.949 20 0 EBADHM Cc1cnn(C)c1C(=O)NC[C@H]1C[C@@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001086170978 816259720 /nfs/dbraw/zinc/25/97/20/816259720.db2.gz SOUPMQKDNAOIKS-PHIMTYICSA-N -1 3 333.396 -0.551 20 0 EBADHM CCc1ncoc1C(=O)NC[C@H]1C[C@@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001086189470 816265292 /nfs/dbraw/zinc/26/52/92/816265292.db2.gz XUZJZZIJCPQVCU-AOOOYVTPSA-N -1 3 334.380 -0.043 20 0 EBADHM O=C(NC[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1)c1nc2ncccn2n1 ZINC001086228481 816275021 /nfs/dbraw/zinc/27/50/21/816275021.db2.gz PPCZCGVTOPZYSH-DTORHVGOSA-N -1 3 343.351 -0.754 20 0 EBADHM C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3nc(=O)n(C)[n-]3)C2)CCO1 ZINC001086235499 816276650 /nfs/dbraw/zinc/27/66/50/816276650.db2.gz GRBRCCAYYBTULS-NDBYEHHHSA-N -1 3 337.424 -0.092 20 0 EBADHM Cn1[n-]c(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@]34CCOC4)C2)nc1=O ZINC001086249239 816277268 /nfs/dbraw/zinc/27/72/68/816277268.db2.gz WBZVFOBRKMRNPN-MEQWQQMJSA-N -1 3 335.408 -0.481 20 0 EBADHM CN(CCN(C)C(=O)c1ncccc1[O-])CCN1C(=O)CCC1=O ZINC001271998796 816286699 /nfs/dbraw/zinc/28/66/99/816286699.db2.gz XOUKZBPPPUKHGL-UHFFFAOYSA-N -1 3 334.376 -0.060 20 0 EBADHM CN1CCO[C@]2(CCCN(C(=O)Cn3cc(F)c(=O)[n-]c3=O)C2)C1 ZINC001272000607 816287015 /nfs/dbraw/zinc/28/70/15/816287015.db2.gz OCTGGTGRKLCDJK-OAHLLOKOSA-N -1 3 340.355 -0.589 20 0 EBADHM NC(=O)c1ccnc(C(=O)NC[C@H]2C[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c1 ZINC001086287568 816294054 /nfs/dbraw/zinc/29/40/54/816294054.db2.gz IFGOLCBEWHLXNM-WAAGHKOSSA-N -1 3 345.363 -0.698 20 0 EBADHM C[C@H](N[C@H]1C[C@H](CNC(=O)c2cnc[n-]c2=O)C1)c1nnnn1C ZINC001086396875 816320335 /nfs/dbraw/zinc/32/03/35/816320335.db2.gz HLODSGAKQQLTCV-GUBZILKMSA-N -1 3 332.368 -0.435 20 0 EBADHM Cc1nc(C(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)c(=O)[nH]c1C ZINC001086398915 816320533 /nfs/dbraw/zinc/32/05/33/816320533.db2.gz GLVUFOFMHXJEHN-MGCOHNPYSA-N -1 3 347.379 -0.079 20 0 EBADHM O=C(NC[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCn2cncc2C1 ZINC001086404933 816322671 /nfs/dbraw/zinc/32/26/71/816322671.db2.gz URTPNOSSAAKPTL-IJLUTSLNSA-N -1 3 345.407 -0.046 20 0 EBADHM NC(=O)c1ccc(C(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)o1 ZINC001086423832 816330457 /nfs/dbraw/zinc/33/04/57/816330457.db2.gz VNYPMXYPGPTQMI-ZKCHVHJHSA-N -1 3 334.336 -0.500 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1C[C@H](NCc2cnn(C)n2)C1 ZINC001086455171 816343980 /nfs/dbraw/zinc/34/39/80/816343980.db2.gz ZRZMNXZTGSPRCK-XYPYZODXSA-N -1 3 331.380 -0.083 20 0 EBADHM COc1c(C(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)c(C)nn1C ZINC001086495506 816355296 /nfs/dbraw/zinc/35/52/96/816355296.db2.gz VZTPLPKKISHWCE-MGCOHNPYSA-N -1 3 349.395 -0.141 20 0 EBADHM O=C(NC[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1)c1cnc2cccnn21 ZINC001086498915 816355982 /nfs/dbraw/zinc/35/59/82/816355982.db2.gz JRDKWZXNLXXAQJ-MGCOHNPYSA-N -1 3 342.363 -0.149 20 0 EBADHM COc1cccc(C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001086523334 816361468 /nfs/dbraw/zinc/36/14/68/816361468.db2.gz KDEGELXHFYUWFB-XYPYZODXSA-N -1 3 346.391 -0.190 20 0 EBADHM C[C@@H]1CC[C@H](CC(=O)N(CCO)CCNCc2nc(=O)n(C)[n-]2)C1 ZINC001272235366 816363402 /nfs/dbraw/zinc/36/34/02/816363402.db2.gz MNFNKJYZGVFTQB-OLZOCXBDSA-N -1 3 339.440 -0.155 20 0 EBADHM CN(C)c1ccc(C(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001086535465 816366539 /nfs/dbraw/zinc/36/65/39/816366539.db2.gz HNUUYWSBLCMSES-MGCOHNPYSA-N -1 3 346.395 -0.336 20 0 EBADHM CN1C(=O)CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001086544325 816369772 /nfs/dbraw/zinc/36/97/72/816369772.db2.gz KOMYLCRAXIXCAJ-GMTAPVOTSA-N -1 3 336.396 -0.494 20 0 EBADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)c3ccc(=O)[nH]c3)C2)nc1=O ZINC001086546358 816370060 /nfs/dbraw/zinc/37/00/60/816370060.db2.gz GLJHPKOMBKOEOL-HOMQSWHASA-N -1 3 332.364 -0.493 20 0 EBADHM COC(=O)NCC(=O)N1CCc2[nH]nc(C(=O)[N-]c3nnco3)c2C1 ZINC001272257932 816373171 /nfs/dbraw/zinc/37/31/71/816373171.db2.gz RANQZIWPPKUSGX-UHFFFAOYSA-N -1 3 349.307 -0.714 20 0 EBADHM Cc1nccc(C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001086555102 816374629 /nfs/dbraw/zinc/37/46/29/816374629.db2.gz QSBVPKDUUHDHSK-XYPYZODXSA-N -1 3 331.380 -0.495 20 0 EBADHM CN1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001086665466 816390909 /nfs/dbraw/zinc/39/09/09/816390909.db2.gz FXRADROQANMQSD-QJPTWQEYSA-N -1 3 338.412 -0.785 20 0 EBADHM COC(=O)CC(=O)N1CCc2c([nH]nc2C(=O)[N-]c2nnco2)C1 ZINC001272329376 816400520 /nfs/dbraw/zinc/40/05/20/816400520.db2.gz DPTMAMBZQAAMDM-UHFFFAOYSA-N -1 3 334.292 -0.507 20 0 EBADHM CC(=CC(=O)NC[C@@H](O)CNCc1cc(=O)n2[n-]ccc2n1)C1CC1 ZINC001272370839 816413443 /nfs/dbraw/zinc/41/34/43/816413443.db2.gz HCTCHNPJSCMHFH-KGBIHWOQSA-N -1 3 345.403 -0.054 20 0 EBADHM Cn1cc([C@@H]2CN(C(=O)C3CC3)C[C@H]2NCc2nc(=O)n(C)[n-]2)cn1 ZINC001086961669 816422518 /nfs/dbraw/zinc/42/25/18/816422518.db2.gz PPPNSSBIGPMNHV-QWHCGFSZSA-N -1 3 345.407 -0.664 20 0 EBADHM Cn1ncnc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc[n-]c1=O ZINC001272437582 816430650 /nfs/dbraw/zinc/43/06/50/816430650.db2.gz MMUWWDNQTWSGPI-QWRGUYRKSA-N -1 3 343.347 -0.560 20 0 EBADHM C[C@@H]1CCN(C(=O)c2cn(C)cn2)[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001087149219 816468500 /nfs/dbraw/zinc/46/85/00/816468500.db2.gz AXVAWRFUXZHWBK-NEPJUHHUSA-N -1 3 347.423 -0.128 20 0 EBADHM Cn1nncc1CNCc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCO2)n1 ZINC001087254441 816479055 /nfs/dbraw/zinc/47/90/55/816479055.db2.gz GKIFZMBKEMNORH-GFCCVEGCSA-N -1 3 347.379 -0.604 20 0 EBADHM C[C@@H](NCc1cc(=O)[n-]c(CNC(=O)C2CCC2)n1)c1nnnn1C ZINC001087254163 816479563 /nfs/dbraw/zinc/47/95/63/816479563.db2.gz WHDUKYKFUZUGIX-SECBINFHSA-N -1 3 346.395 -0.027 20 0 EBADHM Cc1occc1C(=O)NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1 ZINC001087254326 816480041 /nfs/dbraw/zinc/48/00/41/816480041.db2.gz BRDHWOAPPLLOBX-GFCCVEGCSA-N -1 3 345.359 -0.008 20 0 EBADHM O=C(NCc1nc(CN[C@@H]2CCCNC2=O)cc(=O)[n-]1)c1ccon1 ZINC001087255136 816480815 /nfs/dbraw/zinc/48/08/15/816480815.db2.gz DNPRJOUZRCRDEX-SNVBAGLBSA-N -1 3 346.347 -0.532 20 0 EBADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)[C@@H]1CCCOC1 ZINC001087255111 816481103 /nfs/dbraw/zinc/48/11/03/816481103.db2.gz BWCWXENTHRJZAI-PWSUYJOCSA-N -1 3 349.391 -0.797 20 0 EBADHM CN1CC[C@@H](NCc2cc(=O)[n-]c(CNC(=O)C3CCC3)n2)C1=O ZINC001087254613 816481683 /nfs/dbraw/zinc/48/16/83/816481683.db2.gz LWITURGHZPAJBN-GFCCVEGCSA-N -1 3 333.392 -0.081 20 0 EBADHM Cn1ncc(CNCc2cc(=O)[n-]c(CNC(=O)c3ccon3)n2)n1 ZINC001087255248 816482958 /nfs/dbraw/zinc/48/29/58/816482958.db2.gz JZQXGXCPEXEOGK-UHFFFAOYSA-N -1 3 344.335 -0.482 20 0 EBADHM CN1CC[C@H](NCc2cc(=O)[n-]c(CNC(=O)c3cocn3)n2)C1=O ZINC001087255756 816484079 /nfs/dbraw/zinc/48/40/79/816484079.db2.gz JVKUTYCATIQQAK-JTQLQIEISA-N -1 3 346.347 -0.580 20 0 EBADHM Cn1cnnc1CNCc1cc(=O)[n-]c(CNC(=O)c2cocn2)n1 ZINC001087255969 816484098 /nfs/dbraw/zinc/48/40/98/816484098.db2.gz UNQXWXVWOXUMCO-UHFFFAOYSA-N -1 3 344.335 -0.482 20 0 EBADHM Cn1ccnc1CNCc1cc(=O)[n-]c(CNC(=O)[C@H]2CCOC2)n1 ZINC001087256009 816484231 /nfs/dbraw/zinc/48/42/31/816484231.db2.gz VXTLTZRDJUMWEN-NSHDSACASA-N -1 3 346.391 -0.142 20 0 EBADHM Cn1nncc1CNCc1cc(=O)[n-]c(CNC(=O)[C@H]2CCOC2)n1 ZINC001087255787 816484577 /nfs/dbraw/zinc/48/45/77/816484577.db2.gz LPZGOEGFLQRZFS-JTQLQIEISA-N -1 3 347.379 -0.747 20 0 EBADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)[C@@H]1CCCCO1 ZINC001087256248 816485351 /nfs/dbraw/zinc/48/53/51/816485351.db2.gz FMYNSMBSCKKCLT-RYUDHWBXSA-N -1 3 349.391 -0.654 20 0 EBADHM CC1CC(C(=O)NCc2nc(CNCc3nnn(C)n3)cc(=O)[n-]2)C1 ZINC001087256525 816485494 /nfs/dbraw/zinc/48/54/94/816485494.db2.gz WSRFIWZLZKVEPJ-UHFFFAOYSA-N -1 3 346.395 -0.342 20 0 EBADHM Cn1ccc(C(=O)NCc2nc(CN[C@H]3CCNC3=O)cc(=O)[n-]2)c1 ZINC001087256294 816485618 /nfs/dbraw/zinc/48/56/18/816485618.db2.gz HVZIEHYQXGNMJK-LBPRGKRZSA-N -1 3 344.375 -0.571 20 0 EBADHM CN1CC[C@H](NCc2cc(=O)[n-]c(CNC(=O)c3cc[nH]c3)n2)C1=O ZINC001087257460 816486717 /nfs/dbraw/zinc/48/67/17/816486717.db2.gz UPLVDAYEYBPNJU-LBPRGKRZSA-N -1 3 344.375 -0.239 20 0 EBADHM O=C(NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1)c1cc(F)c[nH]1 ZINC001087258269 816488230 /nfs/dbraw/zinc/48/82/30/816488230.db2.gz CQHMPOWBPVTNFT-SNVBAGLBSA-N -1 3 348.338 -0.443 20 0 EBADHM C[C@H]1C[C@@H]1C(=O)NCc1nc(CN[C@@H]2CCC(=O)NC2=O)cc(=O)[n-]1 ZINC001087259064 816490573 /nfs/dbraw/zinc/49/05/73/816490573.db2.gz VKNMZACYMLMCSF-INTQDDNPSA-N -1 3 347.375 -0.651 20 0 EBADHM Cc1nocc1C(=O)NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1 ZINC001087259602 816491928 /nfs/dbraw/zinc/49/19/28/816491928.db2.gz WYWVEKAPRUBKKC-NSHDSACASA-N -1 3 346.347 -0.613 20 0 EBADHM Cn1nccc1CNCc1cc(=O)[n-]c(CNC(=O)c2cnon2)n1 ZINC001087260933 816493144 /nfs/dbraw/zinc/49/31/44/816493144.db2.gz KLRVRONSVYHNMR-UHFFFAOYSA-N -1 3 344.335 -0.482 20 0 EBADHM CC1(C)[C@H](NC(=O)c2cnc[n-]c2=O)[C@@H]2CCCN(CC(N)=O)[C@@H]21 ZINC001087291908 816498345 /nfs/dbraw/zinc/49/83/45/816498345.db2.gz CHIHYBBIMFTIQV-BIMULSAOSA-N -1 3 333.392 -0.114 20 0 EBADHM CC[C@@H]1[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCN1C[C@H](C)O ZINC001087765770 816558076 /nfs/dbraw/zinc/55/80/76/816558076.db2.gz UMRHWPSUGLGWBC-WCFLWFBJSA-N -1 3 348.407 -0.579 20 0 EBADHM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1Cc1cnn(C)c1 ZINC001087811180 816561163 /nfs/dbraw/zinc/56/11/63/816561163.db2.gz GHSIKXSBWVXLQS-NWDGAFQWSA-N -1 3 349.395 -0.408 20 0 EBADHM Cc1c[nH]nc1C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001087961238 816592245 /nfs/dbraw/zinc/59/22/45/816592245.db2.gz JGOFHGVXRYAHBI-NEPJUHHUSA-N -1 3 345.407 -0.266 20 0 EBADHM Cn1ncnc1CN1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001088006887 816602870 /nfs/dbraw/zinc/60/28/70/816602870.db2.gz HDUATXAXLIPJIK-NEPJUHHUSA-N -1 3 343.391 -0.095 20 0 EBADHM Cn1cc(CN2CC[C@@H]3CN(C(=O)c4cnc[n-]c4=O)C[C@@H]3C2)nn1 ZINC001088006967 816604091 /nfs/dbraw/zinc/60/40/91/816604091.db2.gz NQDINUXHWJSENL-NEPJUHHUSA-N -1 3 343.391 -0.095 20 0 EBADHM C[C@H](N[C@@H]1CCCCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(N)=O ZINC001088342866 816667557 /nfs/dbraw/zinc/66/75/57/816667557.db2.gz XUHNZLBWDBAGRA-DTWKUNHWSA-N -1 3 338.368 -0.869 20 0 EBADHM Cn1[n-]c(CN[C@@H]2CCCCCN(C(=O)Cn3cncn3)C2)nc1=O ZINC001088422521 816680671 /nfs/dbraw/zinc/68/06/71/816680671.db2.gz SPFZQQYXPSYPIO-GFCCVEGCSA-N -1 3 348.411 -0.739 20 0 EBADHM CCOC(=O)CC(=O)N1CCn2c(nnc2C(=O)[N-]c2nnco2)C1 ZINC001273526344 816689741 /nfs/dbraw/zinc/68/97/41/816689741.db2.gz BFAOPSRMANVTDL-UHFFFAOYSA-N -1 3 349.307 -0.791 20 0 EBADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088977867 816773577 /nfs/dbraw/zinc/77/35/77/816773577.db2.gz QSUIOUBUYWAFHR-UTLUCORTSA-N -1 3 346.395 -0.488 20 0 EBADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088977867 816773579 /nfs/dbraw/zinc/77/35/79/816773579.db2.gz QSUIOUBUYWAFHR-UTLUCORTSA-N -1 3 346.395 -0.488 20 0 EBADHM Cc1nccn1CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001089041127 816788149 /nfs/dbraw/zinc/78/81/49/816788149.db2.gz DPDUHSPYNHDVOH-PWSUYJOCSA-N -1 3 333.396 -0.607 20 0 EBADHM Cc1n[nH]nc1C(=O)N1CCCC[C@H]1CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001089207003 816815813 /nfs/dbraw/zinc/81/58/13/816815813.db2.gz XOVOUWJTHIODHW-NSHDSACASA-N -1 3 348.411 -0.338 20 0 EBADHM CNC(=O)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1n[nH]c(C)c1[O-] ZINC001089796368 816914510 /nfs/dbraw/zinc/91/45/10/816914510.db2.gz GWOPCKNFZPWZGT-RVMXOQNASA-N -1 3 347.419 -0.048 20 0 EBADHM O=C(c1ccnc(=O)[n-]1)N1C[C@H]2CN(CCn3ccnc3)C[C@@H](C1)O2 ZINC001274651624 817058296 /nfs/dbraw/zinc/05/82/96/817058296.db2.gz DPTUKNYLLZMYOR-BETUJISGSA-N -1 3 344.375 -0.396 20 0 EBADHM CN(C)C(=O)CN1CC2(C1)CCCN(C(=O)c1ccnc(=O)[n-]1)C2 ZINC001274648293 817058577 /nfs/dbraw/zinc/05/85/77/817058577.db2.gz UZGFIYBASYYAGZ-UHFFFAOYSA-N -1 3 333.392 -0.192 20 0 EBADHM O=C(c1ccnc(=O)[n-]1)N1C[C@@H]2[C@H](C1)OCCN2Cc1cn[nH]c1 ZINC001274648400 817059018 /nfs/dbraw/zinc/05/90/18/817059018.db2.gz XHEZFRBSIWBADG-OLZOCXBDSA-N -1 3 330.348 -0.369 20 0 EBADHM O=C([N-]c1nnco1)c1n[nH]c2c1CN(C(=O)c1c[nH]c(=O)[nH]1)CC2 ZINC001274848305 817096001 /nfs/dbraw/zinc/09/60/01/817096001.db2.gz QDXBZIYBMODKOM-UHFFFAOYSA-N -1 3 344.291 -0.328 20 0 EBADHM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CCc3ccnn3C)C[C@H]2O)c1[O-] ZINC001090201768 817116994 /nfs/dbraw/zinc/11/69/94/817116994.db2.gz RZCHJKLXUARDSP-CHWSQXEVSA-N -1 3 348.407 -0.435 20 0 EBADHM O=C(N[C@H]1CCN(CCn2cncn2)C[C@@H]1O)c1ncccc1[O-] ZINC001090214102 817130298 /nfs/dbraw/zinc/13/02/98/817130298.db2.gz USSNSDQOTRNBCP-AAEUAGOBSA-N -1 3 332.364 -0.756 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20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574984290 950267195 /nfs/dbraw/zinc/26/71/95/950267195.db2.gz XLTPYLHYAGBILT-QMMMGPOBSA-N -1 3 341.335 -0.425 20 0 EBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnon1 ZINC001574745191 950379446 /nfs/dbraw/zinc/37/94/46/950379446.db2.gz GVMRHEPSTQPHCL-SSDOTTSWSA-N -1 3 345.323 -0.532 20 0 EBADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnon1 ZINC001574745191 950379468 /nfs/dbraw/zinc/37/94/68/950379468.db2.gz GVMRHEPSTQPHCL-SSDOTTSWSA-N -1 3 345.323 -0.532 20 0 EBADHM CC(C)C[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001574162417 950382128 /nfs/dbraw/zinc/38/21/28/950382128.db2.gz AARMAIPJWCLPQF-SNVBAGLBSA-N -1 3 326.382 -0.053 20 0 EBADHM CC(C)C[C@@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001574162417 950382141 /nfs/dbraw/zinc/38/21/41/950382141.db2.gz AARMAIPJWCLPQF-SNVBAGLBSA-N -1 3 326.382 -0.053 20 0 EBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nncn1C ZINC001574746801 950401698 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ZINC001574754868 950590700 /nfs/dbraw/zinc/59/07/00/950590700.db2.gz RZMGDNLMSRJKCZ-JOYOIKCWSA-N -1 3 349.395 -0.212 20 0 EBADHM CC(C)[C@@H](O)C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574754868 950590717 /nfs/dbraw/zinc/59/07/17/950590717.db2.gz RZMGDNLMSRJKCZ-JOYOIKCWSA-N -1 3 349.395 -0.212 20 0 EBADHM CC(C)(C)OCC(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573870890 950606218 /nfs/dbraw/zinc/60/62/18/950606218.db2.gz ZHECPLFLNDDXJT-UHFFFAOYSA-N -1 3 347.379 -0.050 20 0 EBADHM CC(C)(C)OCC(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573870890 950606229 /nfs/dbraw/zinc/60/62/29/950606229.db2.gz ZHECPLFLNDDXJT-UHFFFAOYSA-N -1 3 347.379 -0.050 20 0 EBADHM CC1(C)[C@H](NCc2cc(=O)n3[n-]cc(-c4nn[nH]n4)c3n2)C[C@@H]1O ZINC001575624777 950673632 /nfs/dbraw/zinc/67/36/32/950673632.db2.gz OFOJOBBSNJKRCM-ZJUUUORDSA-N -1 3 330.352 -0.136 20 0 EBADHM C[C@H](CNC(=O)c1ccn[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575005800 950703005 /nfs/dbraw/zinc/70/30/05/950703005.db2.gz NNOZACROHFSIJA-SSDOTTSWSA-N -1 3 329.324 -0.534 20 0 EBADHM C[C@H](CN(C)C(=O)c1cn(C)nn1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574762590 950710286 /nfs/dbraw/zinc/71/02/86/950710286.db2.gz ZEMQLPFYOHBIBB-SECBINFHSA-N -1 3 342.367 -0.037 20 0 EBADHM C[C@H](CN(C)C(=O)c1cn(C)nn1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574762590 950710301 /nfs/dbraw/zinc/71/03/01/950710301.db2.gz ZEMQLPFYOHBIBB-SECBINFHSA-N -1 3 342.367 -0.037 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1ncc[nH]1 ZINC001575007966 950739556 /nfs/dbraw/zinc/73/95/56/950739556.db2.gz BKUQNAAVIGRCAQ-MRVPVSSYSA-N -1 3 343.351 -0.286 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1ncc[nH]1 ZINC001575007966 950739567 /nfs/dbraw/zinc/73/95/67/950739567.db2.gz BKUQNAAVIGRCAQ-MRVPVSSYSA-N -1 3 343.351 -0.286 20 0 EBADHM CC(C)(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)C(N)=O ZINC001573880093 950740864 /nfs/dbraw/zinc/74/08/64/950740864.db2.gz SFTFYIMZYKDWHG-SECBINFHSA-N -1 3 339.381 -0.560 20 0 EBADHM CC(C)(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)C(N)=O ZINC001573880093 950740881 /nfs/dbraw/zinc/74/08/81/950740881.db2.gz SFTFYIMZYKDWHG-SECBINFHSA-N -1 3 339.381 -0.560 20 0 EBADHM C[C@@H](CN(C)C(=O)c1cnon1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574765101 950772043 /nfs/dbraw/zinc/77/20/43/950772043.db2.gz DUQJVMFMNCXBMV-ZETCQYMHSA-N -1 3 345.323 -0.532 20 0 EBADHM C[C@@H](CN(C)C(=O)c1cnon1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574765101 950772056 /nfs/dbraw/zinc/77/20/56/950772056.db2.gz DUQJVMFMNCXBMV-ZETCQYMHSA-N -1 3 345.323 -0.532 20 0 EBADHM CCOC(=O)[C@H](CC(=O)NC1CCN(CC(=O)[O-])CC1)C(C)=O ZINC001590058831 950780153 /nfs/dbraw/zinc/78/01/53/950780153.db2.gz RQVQWGLTQSZHOG-GFCCVEGCSA-N -1 3 328.365 -0.190 20 0 EBADHM C[C@@H](CN(C)C(=O)c1ncc[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767312 950848196 /nfs/dbraw/zinc/84/81/96/950848196.db2.gz QASLVFSZTAIWBS-QMMMGPOBSA-N -1 3 343.351 -0.192 20 0 EBADHM C[C@@H](CN(C)C(=O)c1ncc[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767312 950848222 /nfs/dbraw/zinc/84/82/22/950848222.db2.gz QASLVFSZTAIWBS-QMMMGPOBSA-N -1 3 343.351 -0.192 20 0 EBADHM C[C@H](CN(C)C(=O)c1ncn(C)n1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574767434 950851376 /nfs/dbraw/zinc/85/13/76/950851376.db2.gz OGIGEEMZCSVIBF-SECBINFHSA-N -1 3 342.367 -0.037 20 0 EBADHM C[C@H](CN(C)C(=O)c1ncn(C)n1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574767434 950851394 /nfs/dbraw/zinc/85/13/94/950851394.db2.gz OGIGEEMZCSVIBF-SECBINFHSA-N -1 3 342.367 -0.037 20 0 EBADHM C[C@@H](CN(C)C(=O)c1ncn(C)n1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574767435 950854330 /nfs/dbraw/zinc/85/43/30/950854330.db2.gz OGIGEEMZCSVIBF-VIFPVBQESA-N -1 3 342.367 -0.037 20 0 EBADHM C[C@@H](CN(C)C(=O)c1ncn(C)n1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574767435 950854353 /nfs/dbraw/zinc/85/43/53/950854353.db2.gz OGIGEEMZCSVIBF-VIFPVBQESA-N -1 3 342.367 -0.037 20 0 EBADHM C[C@H](CN(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001574773623 950985545 /nfs/dbraw/zinc/98/55/45/950985545.db2.gz XJIINUKKVXDKPY-MRVPVSSYSA-N -1 3 342.429 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COCCOCCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821693045 583802273 /nfs/dbraw/zinc/80/22/73/583802273.db2.gz OXQISPKVFJJGLD-GFCCVEGCSA-N -1 3 348.411 -0.170 20 0 EBADHM COCCOCCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821693045 583802274 /nfs/dbraw/zinc/80/22/74/583802274.db2.gz OXQISPKVFJJGLD-GFCCVEGCSA-N -1 3 348.411 -0.170 20 0 EBADHM COCCNC(=O)Cn1cc(Nc2ncccc2-c2nnn[n-]2)cn1 ZINC000821691286 583802293 /nfs/dbraw/zinc/80/22/93/583802293.db2.gz OXVGRCWRZQCWBJ-UHFFFAOYSA-N -1 3 343.351 -0.036 20 0 EBADHM COCCNC(=O)Cn1cc(Nc2ncccc2-c2nn[n-]n2)cn1 ZINC000821691286 583802294 /nfs/dbraw/zinc/80/22/94/583802294.db2.gz OXVGRCWRZQCWBJ-UHFFFAOYSA-N -1 3 343.351 -0.036 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N=c1nc[nH]n1C ZINC000821701614 583802501 /nfs/dbraw/zinc/80/25/01/583802501.db2.gz WCQAZOKNMPFFBJ-UHFFFAOYSA-N -1 3 330.308 -0.557 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N=c1nc[nH]n1C ZINC000821701614 583802503 /nfs/dbraw/zinc/80/25/03/583802503.db2.gz WCQAZOKNMPFFBJ-UHFFFAOYSA-N -1 3 330.308 -0.557 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000821756404 583803790 /nfs/dbraw/zinc/80/37/90/583803790.db2.gz OFYKCQAYVUJHOF-SSDOTTSWSA-N -1 3 340.365 -0.249 20 0 EBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000821756404 583803792 /nfs/dbraw/zinc/80/37/92/583803792.db2.gz OFYKCQAYVUJHOF-SSDOTTSWSA-N -1 3 340.365 -0.249 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](O)C1CC1 ZINC000821755435 583803806 /nfs/dbraw/zinc/80/38/06/583803806.db2.gz GJMCZJCPAYYSCX-LLVKDONJSA-N -1 3 346.347 -0.299 20 0 EBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](O)C1CC1 ZINC000821755435 583803807 /nfs/dbraw/zinc/80/38/07/583803807.db2.gz GJMCZJCPAYYSCX-LLVKDONJSA-N -1 3 346.347 -0.299 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)CC(N)=O ZINC000821756956 583803863 /nfs/dbraw/zinc/80/38/63/583803863.db2.gz RYRWTOKGHDJDGP-ZETCQYMHSA-N -1 3 347.335 -0.806 20 0 EBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)CC(N)=O ZINC000821756956 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C[C@@H](CNC(=O)[C@H](C)NC(N)=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574958371 949667098 /nfs/dbraw/zinc/66/70/98/949667098.db2.gz PSVDTGFVHDVCIY-BDAKNGLRSA-N -1 3 347.383 -0.517 20 0 EBADHM C[C@H](CNC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)S(N)(=O)=O ZINC001570950688 949700020 /nfs/dbraw/zinc/70/00/20/949700020.db2.gz QOHVDTHFRHWTOK-SSDOTTSWSA-N -1 3 349.376 -0.245 20 0 EBADHM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574965655 949803459 /nfs/dbraw/zinc/80/34/59/949803459.db2.gz IQIOYBIYPHAMDG-ZQARSLAVSA-N -1 3 348.342 -0.561 20 0 EBADHM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574965655 949803477 /nfs/dbraw/zinc/80/34/77/949803477.db2.gz IQIOYBIYPHAMDG-ZQARSLAVSA-N -1 3 348.342 -0.561 20 0 EBADHM C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574722957 949851008 /nfs/dbraw/zinc/85/10/08/949851008.db2.gz YTNCMIICDUVEBW-SECBINFHSA-N -1 3 347.383 -0.421 20 0 EBADHM C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574722957 949851035 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3 332.368 -0.737 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCOC1 ZINC001574975008 950016208 /nfs/dbraw/zinc/01/62/08/950016208.db2.gz UQHYCTPLDCBTOF-NXEZZACHSA-N -1 3 347.379 -0.192 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCOC1 ZINC001574975008 950016235 /nfs/dbraw/zinc/01/62/35/950016235.db2.gz UQHYCTPLDCBTOF-NXEZZACHSA-N -1 3 347.379 -0.192 20 0 EBADHM CC(C)(C)CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573834506 950016447 /nfs/dbraw/zinc/01/64/47/950016447.db2.gz HJYHEVUCFIJEQK-SNVBAGLBSA-N -1 3 349.395 -0.162 20 0 EBADHM CC(C)(C)CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573834506 950016470 /nfs/dbraw/zinc/01/64/70/950016470.db2.gz HJYHEVUCFIJEQK-SNVBAGLBSA-N -1 3 349.395 -0.162 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1(O)CCC1 ZINC001574975901 950047197 /nfs/dbraw/zinc/04/71/97/950047197.db2.gz JOAPGJRURUPUTN-VIFPVBQESA-N -1 3 347.379 -0.266 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1(O)CCC1 ZINC001574975901 950047218 /nfs/dbraw/zinc/04/72/18/950047218.db2.gz JOAPGJRURUPUTN-VIFPVBQESA-N -1 3 347.379 -0.266 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(C)cn1 ZINC001574977749 950126511 /nfs/dbraw/zinc/12/65/11/950126511.db2.gz NMXBJMPQLBCRPP-QMMMGPOBSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(C)cn1 ZINC001574977749 950126524 /nfs/dbraw/zinc/12/65/24/950126524.db2.gz NMXBJMPQLBCRPP-QMMMGPOBSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574978717 950143180 /nfs/dbraw/zinc/14/31/80/950143180.db2.gz VHHYNMPCXIIRFO-BXSSEVMYSA-N -1 3 345.363 -0.678 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574978717 950143199 /nfs/dbraw/zinc/14/31/99/950143199.db2.gz VHHYNMPCXIIRFO-BXSSEVMYSA-N -1 3 345.363 -0.678 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccn(C)n1 ZINC001574978642 950143717 /nfs/dbraw/zinc/14/37/17/950143717.db2.gz UDYUEJIHCHISQR-QMMMGPOBSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccn(C)n1 ZINC001574978642 950143735 /nfs/dbraw/zinc/14/37/35/950143735.db2.gz UDYUEJIHCHISQR-QMMMGPOBSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574494745 950180383 /nfs/dbraw/zinc/18/03/83/950180383.db2.gz NLYXFOMDDUQOIO-IUCAKERBSA-N -1 3 347.383 -0.375 20 0 EBADHM C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574494745 950180396 /nfs/dbraw/zinc/18/03/96/950180396.db2.gz NLYXFOMDDUQOIO-IUCAKERBSA-N -1 3 347.383 -0.375 20 0 EBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnon1 ZINC001574739379 950191122 /nfs/dbraw/zinc/19/11/22/950191122.db2.gz OLJMAWRGGYHEBZ-SSDOTTSWSA-N -1 3 345.323 -0.532 20 0 EBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnon1 ZINC001574739379 950191141 /nfs/dbraw/zinc/19/11/41/950191141.db2.gz OLJMAWRGGYHEBZ-SSDOTTSWSA-N -1 3 345.323 -0.532 20 0 EBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCOC1 ZINC001574742110 950266764 /nfs/dbraw/zinc/26/67/64/950266764.db2.gz LPWKSYIMLWCWAB-VHSXEESVSA-N -1 3 347.379 -0.192 20 0 EBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCOC1 ZINC001574742110 950266781 /nfs/dbraw/zinc/26/67/81/950266781.db2.gz LPWKSYIMLWCWAB-VHSXEESVSA-N -1 3 347.379 -0.192 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cn[nH]n1 ZINC001574988177 950320810 /nfs/dbraw/zinc/32/08/10/950320810.db2.gz NRNKBXGJBNTTLA-SSDOTTSWSA-N -1 3 344.339 -0.797 20 0 EBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnon1 ZINC001574745192 950378041 /nfs/dbraw/zinc/37/80/41/950378041.db2.gz GVMRHEPSTQPHCL-ZETCQYMHSA-N -1 3 345.323 -0.532 20 0 EBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnon1 ZINC001574745192 950378063 /nfs/dbraw/zinc/37/80/63/950378063.db2.gz GVMRHEPSTQPHCL-ZETCQYMHSA-N -1 3 345.323 -0.532 20 0 EBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1cn(C)nn1 ZINC001574747668 950412846 /nfs/dbraw/zinc/41/28/46/950412846.db2.gz VFMKXZWLFVNYLF-VIFPVBQESA-N -1 3 344.383 -0.426 20 0 EBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1cn(C)nn1 ZINC001574747668 950412860 /nfs/dbraw/zinc/41/28/60/950412860.db2.gz VFMKXZWLFVNYLF-VIFPVBQESA-N -1 3 344.383 -0.426 20 0 EBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccn(C)n1 ZINC001574992438 950445936 /nfs/dbraw/zinc/44/59/36/950445936.db2.gz CIHHTWRULLUVPE-QMMMGPOBSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccn(C)n1 ZINC001574992438 950445949 /nfs/dbraw/zinc/44/59/49/950445949.db2.gz CIHHTWRULLUVPE-QMMMGPOBSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C)cn1 ZINC001574994588 950487774 /nfs/dbraw/zinc/48/77/74/950487774.db2.gz VDKUBMREVPHUAS-MRVPVSSYSA-N -1 3 343.351 -0.523 20 0 EBADHM 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EBADHM CS(=O)(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826223335 583888640 /nfs/dbraw/zinc/88/86/40/583888640.db2.gz JKXYNIZMFCRSBI-NSHDSACASA-N -1 3 336.377 -0.089 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCN(CC(N)=O)CC1 ZINC000826245379 583889454 /nfs/dbraw/zinc/88/94/54/583889454.db2.gz VZRSGRHUHOZGPL-UHFFFAOYSA-N -1 3 343.391 -0.192 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCN(CC(N)=O)CC1 ZINC000826245379 583889456 /nfs/dbraw/zinc/88/94/56/583889456.db2.gz VZRSGRHUHOZGPL-UHFFFAOYSA-N -1 3 343.391 -0.192 20 0 EBADHM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)[nH]n1 ZINC000826257197 583889836 /nfs/dbraw/zinc/88/98/36/583889836.db2.gz RTMQCOQZYIXJFR-UHFFFAOYSA-N -1 3 330.356 -0.092 20 0 EBADHM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n[nH]1 ZINC000826257197 583889838 /nfs/dbraw/zinc/88/98/38/583889838.db2.gz RTMQCOQZYIXJFR-UHFFFAOYSA-N -1 3 330.356 -0.092 20 0 EBADHM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)[nH]n1 ZINC000826257197 583889840 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Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCc1nnnn1C ZINC000826280177 583890211 /nfs/dbraw/zinc/89/02/11/583890211.db2.gz QDQMHTPLLPTFOX-UHFFFAOYSA-N -1 3 349.380 -0.780 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCc1nnnn1C ZINC000826280177 583890213 /nfs/dbraw/zinc/89/02/13/583890213.db2.gz QDQMHTPLLPTFOX-UHFFFAOYSA-N -1 3 349.380 -0.780 20 0 EBADHM Cc1cccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826298640 583890735 /nfs/dbraw/zinc/89/07/35/583890735.db2.gz BIKODTPIUFEWKX-ONGXEEELSA-N -1 3 330.348 -0.047 20 0 EBADHM Cc1cccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826298640 583890738 /nfs/dbraw/zinc/89/07/38/583890738.db2.gz BIKODTPIUFEWKX-ONGXEEELSA-N -1 3 330.348 -0.047 20 0 EBADHM Cc1cccc(S(=O)(=O)NC[C@@]2(O)CCOC2)c1-c1nnn[n-]1 ZINC000826302506 583890842 /nfs/dbraw/zinc/89/08/42/583890842.db2.gz LKWKVCNRZHAHAG-ZDUSSCGKSA-N -1 3 339.377 -0.395 20 0 EBADHM Cc1cccc(S(=O)(=O)NC[C@@]2(O)CCOC2)c1-c1nn[n-]n1 ZINC000826302506 583890843 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Cn1cc([C@@H](O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC000826359687 583894486 /nfs/dbraw/zinc/89/44/86/583894486.db2.gz NXIQZSGSKTXQSC-NSHDSACASA-N -1 3 349.376 -0.388 20 0 EBADHM Cn1cnc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1 ZINC000826364906 583895014 /nfs/dbraw/zinc/89/50/14/583895014.db2.gz QOMWVPCFWDLSCT-UHFFFAOYSA-N -1 3 339.363 -0.042 20 0 EBADHM Cn1cnc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC000826364906 583895017 /nfs/dbraw/zinc/89/50/17/583895017.db2.gz QOMWVPCFWDLSCT-UHFFFAOYSA-N -1 3 339.363 -0.042 20 0 EBADHM Cn1cnn(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1=O ZINC000826365691 583895267 /nfs/dbraw/zinc/89/52/67/583895267.db2.gz YTWJTJBQOWGFIY-ZDUSSCGKSA-N -1 3 342.363 -0.207 20 0 EBADHM Cn1cnn(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1=O ZINC000826365691 583895269 /nfs/dbraw/zinc/89/52/69/583895269.db2.gz YTWJTJBQOWGFIY-ZDUSSCGKSA-N -1 3 342.363 -0.207 20 0 EBADHM Cn1ncn(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1=O ZINC000826367301 583895743 /nfs/dbraw/zinc/89/57/43/583895743.db2.gz UBYGIRALFWRROO-UHFFFAOYSA-N -1 3 325.292 -0.140 20 0 EBADHM Cn1ncn(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1=O ZINC000826367301 583895745 /nfs/dbraw/zinc/89/57/45/583895745.db2.gz UBYGIRALFWRROO-UHFFFAOYSA-N -1 3 325.292 -0.140 20 0 EBADHM NC(=O)[C@@H]1CN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CCO1 ZINC000826389526 583896054 /nfs/dbraw/zinc/89/60/54/583896054.db2.gz AGXRAJSTYFVKTB-NSHDSACASA-N -1 3 328.336 -0.800 20 0 EBADHM NC(=O)[C@@H]1CN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CCO1 ZINC000826389526 583896056 /nfs/dbraw/zinc/89/60/56/583896056.db2.gz AGXRAJSTYFVKTB-NSHDSACASA-N -1 3 328.336 -0.800 20 0 EBADHM NC(=O)[C@H](NCC(=O)NCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826388490 583896106 /nfs/dbraw/zinc/89/61/06/583896106.db2.gz BBCIVNHTZGEILV-CYBMUJFWSA-N -1 3 329.364 -0.491 20 0 EBADHM NC(=O)[C@H](NCC(=O)NCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826388490 583896107 /nfs/dbraw/zinc/89/61/07/583896107.db2.gz BBCIVNHTZGEILV-CYBMUJFWSA-N -1 3 329.364 -0.491 20 0 EBADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN2C(=O)CC[C@H]2C1 ZINC000826389354 583896220 /nfs/dbraw/zinc/89/62/20/583896220.db2.gz WBOQZRZLINVXID-GXTWGEPZSA-N -1 3 341.375 -0.300 20 0 EBADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)CC[C@H]2C1 ZINC000826389354 583896222 /nfs/dbraw/zinc/89/62/22/583896222.db2.gz WBOQZRZLINVXID-GXTWGEPZSA-N -1 3 341.375 -0.300 20 0 EBADHM NC(=O)[C@H]1CSCCN1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390503 583896426 /nfs/dbraw/zinc/89/64/26/583896426.db2.gz BUOHQXDUYXAKAZ-NEPJUHHUSA-N -1 3 334.405 -0.197 20 0 EBADHM NC(=O)[C@H]1CSCCN1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390503 583896429 /nfs/dbraw/zinc/89/64/29/583896429.db2.gz BUOHQXDUYXAKAZ-NEPJUHHUSA-N -1 3 334.405 -0.197 20 0 EBADHM NC(=O)[C@@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000826390402 583896457 /nfs/dbraw/zinc/89/64/57/583896457.db2.gz YOBGAGQFBXIEEB-LBPRGKRZSA-N -1 3 329.364 -0.169 20 0 EBADHM NC(=O)[C@@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CCO1 ZINC000826390402 583896459 /nfs/dbraw/zinc/89/64/59/583896459.db2.gz YOBGAGQFBXIEEB-LBPRGKRZSA-N -1 3 329.364 -0.169 20 0 EBADHM NC(=O)CN1CCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000826391551 583896862 /nfs/dbraw/zinc/89/68/62/583896862.db2.gz QDBLKOWDHJZXBJ-UHFFFAOYSA-N -1 3 349.782 -0.237 20 0 EBADHM NC(=O)CN1CCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000826391551 583896863 /nfs/dbraw/zinc/89/68/63/583896863.db2.gz QDBLKOWDHJZXBJ-UHFFFAOYSA-N -1 3 349.782 -0.237 20 0 EBADHM NC(=O)N[C@H]1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826392117 583897516 /nfs/dbraw/zinc/89/75/16/583897516.db2.gz NRYNQFRUJBBPML-WDEREUQCSA-N -1 3 331.336 -0.831 20 0 EBADHM NC(=O)N[C@H]1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826392117 583897517 /nfs/dbraw/zinc/89/75/17/583897517.db2.gz NRYNQFRUJBBPML-WDEREUQCSA-N -1 3 331.336 -0.831 20 0 EBADHM NC(=O)N[C@H]1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826392457 583897692 /nfs/dbraw/zinc/89/76/92/583897692.db2.gz YRPUMKQCQHGSRX-QWRGUYRKSA-N -1 3 330.352 -0.864 20 0 EBADHM NC(=O)N[C@H]1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826392457 583897694 /nfs/dbraw/zinc/89/76/94/583897694.db2.gz YRPUMKQCQHGSRX-QWRGUYRKSA-N -1 3 330.352 -0.864 20 0 EBADHM NC(=O)c1ccc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)o1 ZINC000826392738 583897766 /nfs/dbraw/zinc/89/77/66/583897766.db2.gz LLODOHADYKANRN-UHFFFAOYSA-N -1 3 342.319 -0.205 20 0 EBADHM NC(=O)c1ccc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)o1 ZINC000826392738 583897768 /nfs/dbraw/zinc/89/77/68/583897768.db2.gz LLODOHADYKANRN-UHFFFAOYSA-N -1 3 342.319 -0.205 20 0 EBADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000826397319 583898552 /nfs/dbraw/zinc/89/85/52/583898552.db2.gz AUEABOGAUDDVLP-NEPJUHHUSA-N -1 3 343.347 -0.864 20 0 EBADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000826397319 583898553 /nfs/dbraw/zinc/89/85/53/583898553.db2.gz AUEABOGAUDDVLP-NEPJUHHUSA-N -1 3 343.347 -0.864 20 0 EBADHM Nc1nsc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC000826396528 583898608 /nfs/dbraw/zinc/89/86/08/583898608.db2.gz BXFJVPZFJLHHMI-UHFFFAOYSA-N -1 3 346.380 -0.409 20 0 EBADHM Nc1nsc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC000826396528 583898609 /nfs/dbraw/zinc/89/86/09/583898609.db2.gz BXFJVPZFJLHHMI-UHFFFAOYSA-N -1 3 346.380 -0.409 20 0 EBADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](OCCO)C1 ZINC000826397907 583899138 /nfs/dbraw/zinc/89/91/38/583899138.db2.gz MONCLGGLWAFLPW-UONOGXRCSA-N -1 3 347.375 -0.100 20 0 EBADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](OCCO)C1 ZINC000826397907 583899140 /nfs/dbraw/zinc/89/91/40/583899140.db2.gz MONCLGGLWAFLPW-UONOGXRCSA-N -1 3 347.375 -0.100 20 0 EBADHM O=C(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1ccncc1 ZINC000826407316 583899206 /nfs/dbraw/zinc/89/92/06/583899206.db2.gz IZKDTYYWBJYXCX-UHFFFAOYSA-N -1 3 326.320 -0.230 20 0 EBADHM O=C(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1ccncc1 ZINC000826407316 583899208 /nfs/dbraw/zinc/89/92/08/583899208.db2.gz IZKDTYYWBJYXCX-UHFFFAOYSA-N -1 3 326.320 -0.230 20 0 EBADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)OCC1CC1 ZINC000826411518 583899328 /nfs/dbraw/zinc/89/93/28/583899328.db2.gz BIXWHKZCNYWXLK-CYBMUJFWSA-N -1 3 331.332 -0.031 20 0 EBADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)OCC1CC1 ZINC000826411518 583899329 /nfs/dbraw/zinc/89/93/29/583899329.db2.gz BIXWHKZCNYWXLK-CYBMUJFWSA-N -1 3 331.332 -0.031 20 0 EBADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NC[C@@H]1CN2CCN1CC2 ZINC000826417888 583900499 /nfs/dbraw/zinc/90/04/99/583900499.db2.gz KDBBLXKJLNLBTF-CYBMUJFWSA-N -1 3 343.391 -0.639 20 0 EBADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NC[C@@H]1CN2CCN1CC2 ZINC000826417888 583900500 /nfs/dbraw/zinc/90/05/00/583900500.db2.gz KDBBLXKJLNLBTF-CYBMUJFWSA-N -1 3 343.391 -0.639 20 0 EBADHM O=C(NC[C@@H](O)C1CCOCC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432477 583901524 /nfs/dbraw/zinc/90/15/24/583901524.db2.gz BSJPWTXMSLYTPH-ZIAGYGMSSA-N -1 3 347.375 -0.196 20 0 EBADHM O=C(NC[C@@H](O)C1CCOCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432477 583901526 /nfs/dbraw/zinc/90/15/26/583901526.db2.gz BSJPWTXMSLYTPH-ZIAGYGMSSA-N -1 3 347.375 -0.196 20 0 EBADHM O=C(NC[C@@H](O)C(F)(F)F)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432892 583901581 /nfs/dbraw/zinc/90/15/81/583901581.db2.gz OTTHXWRMHKKPEA-BDAKNGLRSA-N -1 3 331.254 -0.061 20 0 EBADHM O=C(NC[C@@H](O)C(F)(F)F)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432892 583901584 /nfs/dbraw/zinc/90/15/84/583901584.db2.gz OTTHXWRMHKKPEA-BDAKNGLRSA-N -1 3 331.254 -0.061 20 0 EBADHM O=C(NCCOc1ccc(-c2nnn[n-]2)cc1)NC[C@]1(O)CCOC1 ZINC000826438512 583902236 /nfs/dbraw/zinc/90/22/36/583902236.db2.gz GKMOYZQSYKDKLL-OAHLLOKOSA-N -1 3 348.363 -0.304 20 0 EBADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@]1(O)CCOC1 ZINC000826438512 583902239 /nfs/dbraw/zinc/90/22/39/583902239.db2.gz GKMOYZQSYKDKLL-OAHLLOKOSA-N -1 3 348.363 -0.304 20 0 EBADHM O=C(NCCOc1ccc(-c2nnn[n-]2)cc1)NCC1(CO)COC1 ZINC000826438412 583902399 /nfs/dbraw/zinc/90/23/99/583902399.db2.gz BQCOKGYYWPIYCK-UHFFFAOYSA-N -1 3 348.363 -0.446 20 0 EBADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NCC1(CO)COC1 ZINC000826438412 583902401 /nfs/dbraw/zinc/90/24/01/583902401.db2.gz BQCOKGYYWPIYCK-UHFFFAOYSA-N -1 3 348.363 -0.446 20 0 EBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000826468933 583903110 /nfs/dbraw/zinc/90/31/10/583903110.db2.gz NPYPWBLAFIQFNX-LLVKDONJSA-N -1 3 331.380 -0.011 20 0 EBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000826468933 583903112 /nfs/dbraw/zinc/90/31/12/583903112.db2.gz NPYPWBLAFIQFNX-LLVKDONJSA-N -1 3 331.380 -0.011 20 0 EBADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826471557 583903250 /nfs/dbraw/zinc/90/32/50/583903250.db2.gz DRDKJCWXWKUXFD-STQMWFEESA-N -1 3 331.380 -0.134 20 0 EBADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826471557 583903252 /nfs/dbraw/zinc/90/32/52/583903252.db2.gz DRDKJCWXWKUXFD-STQMWFEESA-N -1 3 331.380 -0.134 20 0 EBADHM O=C1C[C@@H](O)CN1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826478760 583903544 /nfs/dbraw/zinc/90/35/44/583903544.db2.gz JCNLEZJALNEWIF-KGLIPLIRSA-N -1 3 344.375 -0.209 20 0 EBADHM O=C1C[C@@H](O)CN1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826478760 583903546 /nfs/dbraw/zinc/90/35/46/583903546.db2.gz JCNLEZJALNEWIF-KGLIPLIRSA-N -1 3 344.375 -0.209 20 0 EBADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCC(=O)NC1=O ZINC000826479774 583903757 /nfs/dbraw/zinc/90/37/57/583903757.db2.gz IBBIXZLJODMYBP-VIFPVBQESA-N -1 3 333.283 -0.068 20 0 EBADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCC(=O)NC1=O ZINC000826479774 583903761 /nfs/dbraw/zinc/90/37/61/583903761.db2.gz IBBIXZLJODMYBP-VIFPVBQESA-N -1 3 333.283 -0.068 20 0 EBADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCC(=O)NC1=O ZINC000826479773 583904065 /nfs/dbraw/zinc/90/40/65/583904065.db2.gz IBBIXZLJODMYBP-SECBINFHSA-N -1 3 333.283 -0.068 20 0 EBADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCC(=O)NC1=O ZINC000826479773 583904066 /nfs/dbraw/zinc/90/40/66/583904066.db2.gz IBBIXZLJODMYBP-SECBINFHSA-N -1 3 333.283 -0.068 20 0 EBADHM O=C1NC[C@H]2CN(c3nc4ccccn4c3-c3nnn[n-]3)CCN12 ZINC000826482414 583904633 /nfs/dbraw/zinc/90/46/33/583904633.db2.gz DCLDDVQPJVRNFP-VIFPVBQESA-N -1 3 325.336 -0.272 20 0 EBADHM O=C1NC[C@H]2CN(c3nc4ccccn4c3-c3nn[n-]n3)CCN12 ZINC000826482414 583904634 /nfs/dbraw/zinc/90/46/34/583904634.db2.gz DCLDDVQPJVRNFP-VIFPVBQESA-N -1 3 325.336 -0.272 20 0 EBADHM O=C1NC[C@@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCN2C1=O ZINC000826482357 583904750 /nfs/dbraw/zinc/90/47/50/583904750.db2.gz BRJKRTMOELXCGJ-SECBINFHSA-N -1 3 333.377 -0.929 20 0 EBADHM O=C1NC[C@@H]2CN(Cc3cc(-c4nn[n-]n4)cs3)CCN2C1=O ZINC000826482357 583904751 /nfs/dbraw/zinc/90/47/51/583904751.db2.gz BRJKRTMOELXCGJ-SECBINFHSA-N -1 3 333.377 -0.929 20 0 EBADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NCCn1ccnn1 ZINC000826486496 583905134 /nfs/dbraw/zinc/90/51/34/583905134.db2.gz FDCNSYXYSKOKQY-UHFFFAOYSA-N -1 3 334.365 -0.422 20 0 EBADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCCn1ccnn1 ZINC000826486496 583905136 /nfs/dbraw/zinc/90/51/36/583905136.db2.gz 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C[C@H](C(N)=O)N1CCO[C@H](CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001035403486 731242775 /nfs/dbraw/zinc/24/27/75/731242775.db2.gz BMJVKNNXJPQWHZ-MWLCHTKSSA-N -1 3 349.391 -0.636 20 0 EBADHM Cn1cncc1CN1CCO[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001035409281 731245892 /nfs/dbraw/zinc/24/58/92/731245892.db2.gz YKDYJMWKDGYRAT-GFCCVEGCSA-N -1 3 332.364 -0.454 20 0 EBADHM O=C(NC[C@H]1CN(CCn2cccn2)CCO1)c1cnc[n-]c1=O ZINC001035410957 731246646 /nfs/dbraw/zinc/24/66/46/731246646.db2.gz GSIYUFIHGPCEKZ-LBPRGKRZSA-N -1 3 332.364 -0.491 20 0 EBADHM Cn1nccc1CCN1CCO[C@@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001035411919 731246983 /nfs/dbraw/zinc/24/69/83/731246983.db2.gz PVDVTQQGVGILFF-ZDUSSCGKSA-N -1 3 346.391 -0.411 20 0 EBADHM Cc1nnc([C@@H](C)N2CCO[C@@H](CNC(=O)c3cnc[n-]c3=O)C2)[nH]1 ZINC001035412274 731247318 /nfs/dbraw/zinc/24/73/18/731247318.db2.gz SQLQWLDBHPZFIK-KOLCDFICSA-N -1 3 347.379 -0.199 20 0 EBADHM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001036179954 731257935 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3 334.384 -0.033 20 0 EBADHM CC[C@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001037969494 731275537 /nfs/dbraw/zinc/27/55/37/731275537.db2.gz DSCLGTJVJWSISE-QWRGUYRKSA-N -1 3 334.384 -0.481 20 0 EBADHM CC[C@H]1CN(C(=O)Cn2cncn2)CC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001037969498 731275710 /nfs/dbraw/zinc/27/57/10/731275710.db2.gz DSCLGTJVJWSISE-WDEREUQCSA-N -1 3 334.384 -0.481 20 0 EBADHM O=C(NC[C@H]1CCN1Cc1cnon1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001038929967 731394308 /nfs/dbraw/zinc/39/43/08/731394308.db2.gz APVDDDJSUYSENJ-LLVKDONJSA-N -1 3 341.327 -0.043 20 0 EBADHM O=C(NCc1cnn2c1CN(c1cc(F)ncn1)CC2)c1cn[n-]n1 ZINC001039559930 731443791 /nfs/dbraw/zinc/44/37/91/731443791.db2.gz AJDACVQPKIFEIO-UHFFFAOYSA-N -1 3 343.326 -0.120 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 ZINC001039664159 731481043 /nfs/dbraw/zinc/48/10/43/731481043.db2.gz KQGJNEZYSZMRHF-OAHLLOKOSA-N -1 3 346.347 -0.779 20 0 EBADHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(N)=O 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346.347 -0.779 20 0 EBADHM O=C(NC[C@]1(O)CCN(C(=O)c2cc[nH]c2)C1)c1cnc[n-]c1=O ZINC001040164426 731629127 /nfs/dbraw/zinc/62/91/27/731629127.db2.gz RREWAEHMAXOQDG-OAHLLOKOSA-N -1 3 331.332 -0.483 20 0 EBADHM O=C(NC[C@@]1(O)CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1)c1cnc[n-]c1=O ZINC001040164241 731629237 /nfs/dbraw/zinc/62/92/37/731629237.db2.gz PSTLCIFUJGJIMC-AEMSQSNESA-N -1 3 346.387 -0.079 20 0 EBADHM O=C(NC[C@@]1(O)CCN(C(=O)c2ccco2)C1)c1cnc[n-]c1=O ZINC001040165049 731629587 /nfs/dbraw/zinc/62/95/87/731629587.db2.gz LMVINFYWALOUCN-HNNXBMFYSA-N -1 3 332.316 -0.218 20 0 EBADHM CC1CC(C(=O)N2CC[C@@](O)(CNC(=O)c3cnc[n-]c3=O)C2)C1 ZINC001040164813 731629727 /nfs/dbraw/zinc/62/97/27/731629727.db2.gz YYPLEGQIMUDJPI-CLIRUNRCSA-N -1 3 334.376 -0.079 20 0 EBADHM O=C(NC[C@]1(O)CCN(C(=O)[C@H]2CC23CC3)C1)c1cnc[n-]c1=O ZINC001040164698 731629738 /nfs/dbraw/zinc/62/97/38/731629738.db2.gz VXNVKPBFHLOYRY-BDJLRTHQSA-N -1 3 332.360 -0.325 20 0 EBADHM O=C(NC[C@@]1(O)CCN(C(=O)c2cnc[n-]c2=O)C1)c1cc(F)c[nH]1 ZINC001040327591 731698264 /nfs/dbraw/zinc/69/82/64/731698264.db2.gz IZEUUVNZNAQSSH-HNNXBMFYSA-N -1 3 349.322 -0.344 20 0 EBADHM CCOCCC(=O)NC[C@H]1COCCN1C(=O)c1cnc[n-]c1=O ZINC001061421679 738533499 /nfs/dbraw/zinc/53/34/99/738533499.db2.gz SGAGOFGRATZYQP-NSHDSACASA-N -1 3 338.364 -0.434 20 0 EBADHM CCOCCC(=O)NC[C@@H]1COCCN1C(=O)c1cnc[n-]c1=O ZINC001061421678 738533654 /nfs/dbraw/zinc/53/36/54/738533654.db2.gz SGAGOFGRATZYQP-LLVKDONJSA-N -1 3 338.364 -0.434 20 0 EBADHM Cc1n[nH]cc1C(=O)NC[C@]1(O)CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001040459969 731743159 /nfs/dbraw/zinc/74/31/59/731743159.db2.gz AXKJLNFGBZDRSF-OAHLLOKOSA-N -1 3 346.347 -0.779 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@](O)(CNC(=O)CCCF)C1 ZINC001040567611 731782025 /nfs/dbraw/zinc/78/20/25/731782025.db2.gz HQOKDKYSRSVYRP-HNNXBMFYSA-N -1 3 340.355 -0.066 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@]1(O)CCN(C(=O)c2ncc[nH]2)C1 ZINC001040638329 731800436 /nfs/dbraw/zinc/80/04/36/731800436.db2.gz DZVOHLVJVMWBTM-HNNXBMFYSA-N -1 3 346.347 -0.779 20 0 EBADHM CSCC(=O)N1CC[C@](O)(CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001040638803 731800508 /nfs/dbraw/zinc/80/05/08/731800508.db2.gz IJMQKGGCVYDBIA-AWEZNQCLSA-N -1 3 340.405 -0.453 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC23CC3)C1 ZINC001040638860 731801076 /nfs/dbraw/zinc/80/10/76/731801076.db2.gz ISSNKULOLQIOLI-PIGZYNQJSA-N -1 3 346.387 -0.016 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@]1(O)CCN(C(=O)CCCF)C1 ZINC001040639658 731801438 /nfs/dbraw/zinc/80/14/38/731801438.db2.gz QYDONZWEEHZIJX-HNNXBMFYSA-N -1 3 340.355 -0.066 20 0 EBADHM NC(=O)C1(C(=O)NC[C@@]2(O)CCN(C(=O)c3ccccc3[O-])C2)CC1 ZINC001040738666 731850978 /nfs/dbraw/zinc/85/09/78/731850978.db2.gz OPBBRWDRBBVYME-INIZCTEOSA-N -1 3 347.371 -0.649 20 0 EBADHM Cn1[n-]c(CN2CCC3(CCN(C(=O)c4nc[nH]n4)C3)CC2)nc1=O ZINC001040885784 731907739 /nfs/dbraw/zinc/90/77/39/731907739.db2.gz RYXNTQMSTQVVFR-UHFFFAOYSA-N -1 3 346.395 -0.645 20 0 EBADHM O=C(NCC1(O)CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1)C1CC1 ZINC001041093182 731988249 /nfs/dbraw/zinc/98/82/49/731988249.db2.gz AJJDESPZSMEQON-UHFFFAOYSA-N -1 3 332.360 -0.227 20 0 EBADHM O=C(N[C@@H]1CN(c2ncccn2)C[C@H]1O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001041211787 732033607 /nfs/dbraw/zinc/03/36/07/732033607.db2.gz ADKZPPLPRICGPP-VXGBXAGGSA-N -1 3 342.359 -0.171 20 0 EBADHM CC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccccc2[O-])C1 ZINC001041334454 732088189 /nfs/dbraw/zinc/08/81/89/732088189.db2.gz BNUJOKDMYXDKPJ-SNVBAGLBSA-N -1 3 335.360 -0.780 20 0 EBADHM Cc1noc(C)c1C(=O)NCC1(O)CN(C(=O)c2cnc[n-]c2=O)C1 ZINC001041418018 732120157 /nfs/dbraw/zinc/12/01/57/732120157.db2.gz WGHHVLYIQQRZCF-UHFFFAOYSA-N -1 3 347.331 -0.596 20 0 EBADHM CC(C)Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001041434471 732125500 /nfs/dbraw/zinc/12/55/00/732125500.db2.gz IRAFVXKOLHSKTM-NXEZZACHSA-N -1 3 337.409 -0.166 20 0 EBADHM COC(=O)[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccccc2[O-])C1 ZINC001041541770 732152086 /nfs/dbraw/zinc/15/20/86/732152086.db2.gz BCLZYLOICMGRBR-VXGBXAGGSA-N -1 3 348.355 -0.496 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O=C(CN1CCN(C(=O)c2cccc([O-])c2)CC1)N1CCNC(=O)C1 ZINC000266887142 154358430 /nfs/dbraw/zinc/35/84/30/154358430.db2.gz BOUSSXGPNQMHJE-UHFFFAOYSA-N -1 3 346.387 -0.892 20 0 EBADHM COc1ccc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)c([O-])c1 ZINC000267030114 154361152 /nfs/dbraw/zinc/36/11/52/154361152.db2.gz AYVUJVSGTNOFNI-UHFFFAOYSA-N -1 3 343.405 -0.553 20 0 EBADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(=O)OC ZINC000267322800 154371180 /nfs/dbraw/zinc/37/11/80/154371180.db2.gz ZFJVWXLDPQHTPD-JTQLQIEISA-N -1 3 347.393 -0.078 20 0 EBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)NC)c(C)o1 ZINC000267557392 154380491 /nfs/dbraw/zinc/38/04/91/154380491.db2.gz FQTWNSJJYOFUTL-JTQLQIEISA-N -1 3 329.378 -0.153 20 0 EBADHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)NC(C)(C)C ZINC000268041031 154397375 /nfs/dbraw/zinc/39/73/75/154397375.db2.gz PYIICODXHBRLER-SECBINFHSA-N -1 3 345.425 -0.882 20 0 EBADHM COC(=O)[C@]1(NC(=O)C[N-]S(=O)(=O)c2cccs2)CCOC1 ZINC000268029889 154397710 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COC[C@H](O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000826151800 583884659 /nfs/dbraw/zinc/88/46/59/583884659.db2.gz JXLPENOQOQHDJR-LLVKDONJSA-N -1 3 348.363 -0.373 20 0 EBADHM COC[C@H](O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000826151800 583884660 /nfs/dbraw/zinc/88/46/60/583884660.db2.gz JXLPENOQOQHDJR-LLVKDONJSA-N -1 3 348.363 -0.373 20 0 EBADHM COC[C@@H](O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826151614 583884734 /nfs/dbraw/zinc/88/47/34/583884734.db2.gz GBDRCVCOKKQQBP-JTQLQIEISA-N -1 3 327.366 -0.458 20 0 EBADHM COC[C@@H](O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826151614 583884736 /nfs/dbraw/zinc/88/47/36/583884736.db2.gz GBDRCVCOKKQQBP-JTQLQIEISA-N -1 3 327.366 -0.458 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1CN1CC[C@H](S(N)(=O)=O)C1 ZINC000826169584 583886821 /nfs/dbraw/zinc/88/68/21/583886821.db2.gz XJYKWMBWYWJMGF-NSHDSACASA-N -1 3 338.393 -0.262 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1CN1CC[C@H](S(N)(=O)=O)C1 ZINC000826169584 583886823 /nfs/dbraw/zinc/88/68/23/583886823.db2.gz XJYKWMBWYWJMGF-NSHDSACASA-N -1 3 338.393 -0.262 20 0 EBADHM COc1ccc(CNC(=O)N2CCNC(=O)C2)cc1-c1nnn[n-]1 ZINC000826198419 583887674 /nfs/dbraw/zinc/88/76/74/583887674.db2.gz XEBLTFCOZDAHGN-UHFFFAOYSA-N -1 3 331.336 -0.483 20 0 EBADHM COc1ccc(CNC(=O)N2CCNC(=O)C2)cc1-c1nn[n-]n1 ZINC000826198419 583887675 /nfs/dbraw/zinc/88/76/75/583887675.db2.gz XEBLTFCOZDAHGN-UHFFFAOYSA-N -1 3 331.336 -0.483 20 0 EBADHM COc1ccc(CNC(=O)Cn2cccnc2=O)cc1-c1nnn[n-]1 ZINC000826197115 583887772 /nfs/dbraw/zinc/88/77/72/583887772.db2.gz AEDLROKUMSKJNN-UHFFFAOYSA-N -1 3 341.331 -0.252 20 0 EBADHM COc1ccc(CNC(=O)Cn2cccnc2=O)cc1-c1nn[n-]n1 ZINC000826197115 583887773 /nfs/dbraw/zinc/88/77/73/583887773.db2.gz AEDLROKUMSKJNN-UHFFFAOYSA-N -1 3 341.331 -0.252 20 0 EBADHM COc1ccc(CNC(=O)CN2CCCNC2=O)cc1-c1nnn[n-]1 ZINC000826196407 583887781 /nfs/dbraw/zinc/88/77/81/583887781.db2.gz AMMURYVRSRQZPU-UHFFFAOYSA-N -1 3 345.363 -0.093 20 0 EBADHM COc1ccc(CNC(=O)CN2CCCNC2=O)cc1-c1nn[n-]n1 ZINC000826196407 583887784 /nfs/dbraw/zinc/88/77/84/583887784.db2.gz AMMURYVRSRQZPU-UHFFFAOYSA-N -1 3 345.363 -0.093 20 0 EBADHM CS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000826223617 583888440 /nfs/dbraw/zinc/88/84/40/583888440.db2.gz TXRAMINDVXEPBY-UHFFFAOYSA-N -1 3 339.381 -0.651 20 0 EBADHM CS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000826223617 583888442 /nfs/dbraw/zinc/88/84/42/583888442.db2.gz TXRAMINDVXEPBY-UHFFFAOYSA-N -1 3 339.381 -0.651 20 0 EBADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000826223470 583888495 /nfs/dbraw/zinc/88/84/95/583888495.db2.gz NUERMCMZJGOEQJ-QMMMGPOBSA-N -1 3 339.381 -0.651 20 0 EBADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000826223470 583888497 /nfs/dbraw/zinc/88/84/97/583888497.db2.gz NUERMCMZJGOEQJ-QMMMGPOBSA-N -1 3 339.381 -0.651 20 0 EBADHM CS(=O)(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826223524 583888665 /nfs/dbraw/zinc/88/86/65/583888665.db2.gz POUDWGRUGHNISS-VIFPVBQESA-N -1 3 326.382 -0.027 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)N1CCNC1=O ZINC000826251173 583890046 /nfs/dbraw/zinc/89/00/46/583890046.db2.gz HQEPBSBLDPIIME-UHFFFAOYSA-N -1 3 330.304 -0.116 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)N1CCNC1=O ZINC000826251173 583890048 /nfs/dbraw/zinc/89/00/48/583890048.db2.gz HQEPBSBLDPIIME-UHFFFAOYSA-N -1 3 330.304 -0.116 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC000826255783 583890121 /nfs/dbraw/zinc/89/01/21/583890121.db2.gz KLLLECIAFURXAX-ZDUSSCGKSA-N -1 3 339.377 -0.395 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC000826255783 583890122 /nfs/dbraw/zinc/89/01/22/583890122.db2.gz KLLLECIAFURXAX-ZDUSSCGKSA-N -1 3 339.377 -0.395 20 0 EBADHM Cc1cccc(S(=O)(=O)N2CCCNC(=O)C2)c1-c1nnn[n-]1 ZINC000826301818 583890835 /nfs/dbraw/zinc/89/08/35/583890835.db2.gz QMXZXOFNUNFFJN-UHFFFAOYSA-N -1 3 336.377 -0.314 20 0 EBADHM Cc1cccc(S(=O)(=O)N2CCCNC(=O)C2)c1-c1nn[n-]n1 ZINC000826301818 583890836 /nfs/dbraw/zinc/89/08/36/583890836.db2.gz QMXZXOFNUNFFJN-UHFFFAOYSA-N -1 3 336.377 -0.314 20 0 EBADHM Cc1cccc(S(=O)(=O)NCCOCCO)c1-c1nnn[n-]1 ZINC000826303547 583890868 /nfs/dbraw/zinc/89/08/68/583890868.db2.gz UPTMZHJERIVDPM-UHFFFAOYSA-N -1 3 327.366 -0.538 20 0 EBADHM Cc1cccc(S(=O)(=O)NCCOCCO)c1-c1nn[n-]n1 ZINC000826303547 583890869 /nfs/dbraw/zinc/89/08/69/583890869.db2.gz UPTMZHJERIVDPM-UHFFFAOYSA-N -1 3 327.366 -0.538 20 0 EBADHM Cc1cccc(S(=O)(=O)NCC(=O)NC(C)C)c1-c1nnn[n-]1 ZINC000826302926 583890877 /nfs/dbraw/zinc/89/08/77/583890877.db2.gz WMRHOMJGLYDUKO-UHFFFAOYSA-N -1 3 338.393 -0.022 20 0 EBADHM Cc1cccc(S(=O)(=O)NCC(=O)NC(C)C)c1-c1nn[n-]n1 ZINC000826302926 583890878 /nfs/dbraw/zinc/89/08/78/583890878.db2.gz WMRHOMJGLYDUKO-UHFFFAOYSA-N -1 3 338.393 -0.022 20 0 EBADHM Cc1cccc(S(=O)(=O)N(C)[C@@H]2CCNC2=O)c1-c1nnn[n-]1 ZINC000826301194 583890910 /nfs/dbraw/zinc/89/09/10/583890910.db2.gz VYTFKBBGIOYGKN-SECBINFHSA-N -1 3 336.377 -0.316 20 0 EBADHM Cc1cccc(S(=O)(=O)N(C)[C@@H]2CCNC2=O)c1-c1nn[n-]n1 ZINC000826301194 583890911 /nfs/dbraw/zinc/89/09/11/583890911.db2.gz VYTFKBBGIOYGKN-SECBINFHSA-N -1 3 336.377 -0.316 20 0 EBADHM Cc1nn(CCCN2C(=O)NC(C)(C)C2=O)c(N)c1-c1nnn[n-]1 ZINC000826334610 583891812 /nfs/dbraw/zinc/89/18/12/583891812.db2.gz BPOQOIZHMLKPHS-UHFFFAOYSA-N -1 3 333.356 -0.326 20 0 EBADHM Cc1nn(CCCN2C(=O)NC(C)(C)C2=O)c(N)c1-c1nn[n-]n1 ZINC000826334610 583891814 /nfs/dbraw/zinc/89/18/14/583891814.db2.gz BPOQOIZHMLKPHS-UHFFFAOYSA-N -1 3 333.356 -0.326 20 0 EBADHM Cn1cc(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)nn1 ZINC000826361445 583894321 /nfs/dbraw/zinc/89/43/21/583894321.db2.gz XJHSZOVEWJHBST-UHFFFAOYSA-N -1 3 326.368 -0.288 20 0 EBADHM Cn1cc(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)nn1 ZINC000826361445 583894323 /nfs/dbraw/zinc/89/43/23/583894323.db2.gz XJHSZOVEWJHBST-UHFFFAOYSA-N -1 3 326.368 -0.288 20 0 EBADHM Cn1cc(C[S@](=O)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000826362092 583894526 /nfs/dbraw/zinc/89/45/26/583894526.db2.gz CMPUJHLERZHUOY-DEOSSOPVSA-N -1 3 346.376 -0.117 20 0 EBADHM Cn1cc(C[S@](=O)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000826362092 583894527 /nfs/dbraw/zinc/89/45/27/583894527.db2.gz CMPUJHLERZHUOY-DEOSSOPVSA-N -1 3 346.376 -0.117 20 0 EBADHM Cn1cc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826359191 583894538 /nfs/dbraw/zinc/89/45/38/583894538.db2.gz ZKTREENOWKIZJG-GFCCVEGCSA-N -1 3 349.376 -0.388 20 0 EBADHM Cn1cc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826359191 583894539 /nfs/dbraw/zinc/89/45/39/583894539.db2.gz ZKTREENOWKIZJG-GFCCVEGCSA-N -1 3 349.376 -0.388 20 0 EBADHM Cn1cc(CCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826360711 583894550 /nfs/dbraw/zinc/89/45/50/583894550.db2.gz VBBJOUBSLRAPJN-ZDUSSCGKSA-N -1 3 327.348 -0.008 20 0 EBADHM Cn1cc(CCNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826360711 583894551 /nfs/dbraw/zinc/89/45/51/583894551.db2.gz VBBJOUBSLRAPJN-ZDUSSCGKSA-N -1 3 327.348 -0.008 20 0 EBADHM Cn1nnnc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826367180 583895184 /nfs/dbraw/zinc/89/51/84/583895184.db2.gz ORYMOIPQDCNMFR-GFCCVEGCSA-N -1 3 327.352 -0.036 20 0 EBADHM Cn1nnnc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826367180 583895185 /nfs/dbraw/zinc/89/51/85/583895185.db2.gz ORYMOIPQDCNMFR-GFCCVEGCSA-N -1 3 327.352 -0.036 20 0 EBADHM NC(=O)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826389781 583896099 /nfs/dbraw/zinc/89/60/99/583896099.db2.gz IFJYPEJQSRDZAP-LBPRGKRZSA-N -1 3 330.348 -0.376 20 0 EBADHM NC(=O)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826389781 583896101 /nfs/dbraw/zinc/89/61/01/583896101.db2.gz IFJYPEJQSRDZAP-LBPRGKRZSA-N -1 3 330.348 -0.376 20 0 EBADHM NC(=O)[C@@H](OC(=O)CN1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389314 583896200 /nfs/dbraw/zinc/89/62/00/583896200.db2.gz VIOWUNUIRVXROI-ZDUSSCGKSA-N -1 3 346.347 -0.732 20 0 EBADHM NC(=O)[C@@H](OC(=O)CN1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389314 583896201 /nfs/dbraw/zinc/89/62/01/583896201.db2.gz VIOWUNUIRVXROI-ZDUSSCGKSA-N -1 3 346.347 -0.732 20 0 EBADHM NC(=O)[C@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000826390401 583896704 /nfs/dbraw/zinc/89/67/04/583896704.db2.gz YOBGAGQFBXIEEB-GFCCVEGCSA-N -1 3 329.364 -0.169 20 0 EBADHM NC(=O)[C@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CCO1 ZINC000826390401 583896707 /nfs/dbraw/zinc/89/67/07/583896707.db2.gz YOBGAGQFBXIEEB-GFCCVEGCSA-N -1 3 329.364 -0.169 20 0 EBADHM NC(=O)CCCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826390939 583896885 /nfs/dbraw/zinc/89/68/85/583896885.db2.gz RPXJYELMJMHNCZ-UHFFFAOYSA-N -1 3 342.356 -0.060 20 0 EBADHM NC(=O)CCCCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826390799 583896947 /nfs/dbraw/zinc/89/69/47/583896947.db2.gz MFNYYULJYPWVMQ-UHFFFAOYSA-N -1 3 338.393 -0.058 20 0 EBADHM NC(=O)CCCCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826390799 583896950 /nfs/dbraw/zinc/89/69/50/583896950.db2.gz MFNYYULJYPWVMQ-UHFFFAOYSA-N -1 3 338.393 -0.058 20 0 EBADHM NC(=O)CC1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826390908 583897066 /nfs/dbraw/zinc/89/70/66/583897066.db2.gz 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/nfs/dbraw/zinc/81/58/85/583815885.db2.gz SBSSWVWXBVOSEN-JTQLQIEISA-N -1 3 334.336 -0.343 20 0 EBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NC[C@@H]1CCCO1 ZINC000822659944 583815886 /nfs/dbraw/zinc/81/58/86/583815886.db2.gz SBSSWVWXBVOSEN-JTQLQIEISA-N -1 3 334.336 -0.343 20 0 EBADHM Cn1cc([C@H](O)CNC(=O)CNc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822669010 583815924 /nfs/dbraw/zinc/81/59/24/583815924.db2.gz FPILVAJKVDIBFK-CYBMUJFWSA-N -1 3 342.363 -0.138 20 0 EBADHM Cn1cc([C@H](O)CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822669010 583815925 /nfs/dbraw/zinc/81/59/25/583815925.db2.gz FPILVAJKVDIBFK-CYBMUJFWSA-N -1 3 342.363 -0.138 20 0 EBADHM Cn1cc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000822679981 583816396 /nfs/dbraw/zinc/81/63/96/583816396.db2.gz LBFGGWJFQWCDOZ-UHFFFAOYSA-N -1 3 339.363 -0.042 20 0 EBADHM Cn1cc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000822679981 583816398 /nfs/dbraw/zinc/81/63/98/583816398.db2.gz LBFGGWJFQWCDOZ-UHFFFAOYSA-N -1 3 339.363 -0.042 20 0 EBADHM Cn1ccnc1CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000822699206 583816723 /nfs/dbraw/zinc/81/67/23/583816723.db2.gz SBUBAZDLZNLKPK-UHFFFAOYSA-N -1 3 344.310 -0.006 20 0 EBADHM Cn1ccnc1CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000822699206 583816725 /nfs/dbraw/zinc/81/67/25/583816725.db2.gz SBUBAZDLZNLKPK-UHFFFAOYSA-N -1 3 344.310 -0.006 20 0 EBADHM NC(=O)C1(NC(=O)CNc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000822859920 583819519 /nfs/dbraw/zinc/81/95/19/583819519.db2.gz KATXKRSKZIJYLN-UHFFFAOYSA-N -1 3 345.363 -0.571 20 0 EBADHM NC(=O)C1(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000822859920 583819521 /nfs/dbraw/zinc/81/95/21/583819521.db2.gz KATXKRSKZIJYLN-UHFFFAOYSA-N -1 3 345.363 -0.571 20 0 EBADHM NC(=O)c1cc(CNC(=O)COc2cccc(-c3nnn[n-]3)c2)on1 ZINC000822880343 583820503 /nfs/dbraw/zinc/82/05/03/583820503.db2.gz NLRVFNMPXDVFGS-UHFFFAOYSA-N -1 3 343.303 -0.351 20 0 EBADHM NC(=O)c1cc(CNC(=O)COc2cccc(-c3nn[n-]n3)c2)on1 ZINC000822880343 583820505 /nfs/dbraw/zinc/82/05/05/583820505.db2.gz NLRVFNMPXDVFGS-UHFFFAOYSA-N -1 3 343.303 -0.351 20 0 EBADHM Nc1n[nH]c(CCCNc2nccn3nnnc23)c1-c1nnn[n-]1 ZINC000822899538 583821119 /nfs/dbraw/zinc/82/11/19/583821119.db2.gz KFZLXMMBNLIKLW-UHFFFAOYSA-N -1 3 327.316 -0.951 20 0 EBADHM NS(=O)(=O)CCCOC(=O)CNc1ccc(-c2nnn[n-]2)cc1 ZINC000822895419 583821193 /nfs/dbraw/zinc/82/11/93/583821193.db2.gz RGVWXOWDTJREEY-UHFFFAOYSA-N -1 3 340.365 -0.500 20 0 EBADHM NS(=O)(=O)CCCOC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822895419 583821196 /nfs/dbraw/zinc/82/11/96/583821196.db2.gz RGVWXOWDTJREEY-UHFFFAOYSA-N -1 3 340.365 -0.500 20 0 EBADHM O=C(CN1CCN2C(=O)NC[C@@H]2C1)Nc1sccc1-c1nnn[n-]1 ZINC000822997939 583822236 /nfs/dbraw/zinc/82/22/36/583822236.db2.gz XPCZBXQBTIKLSV-MRVPVSSYSA-N -1 3 348.392 -0.424 20 0 EBADHM O=C(CN1CCN2C(=O)NC[C@@H]2C1)Nc1sccc1-c1nn[n-]n1 ZINC000822997939 583822237 /nfs/dbraw/zinc/82/22/37/583822237.db2.gz XPCZBXQBTIKLSV-MRVPVSSYSA-N -1 3 348.392 -0.424 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCc1ncc[nH]1 ZINC000823005555 583822920 /nfs/dbraw/zinc/82/29/20/583822920.db2.gz WIDUYGSCDZAHBH-UHFFFAOYSA-N -1 3 340.347 -0.322 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCc1ncc[nH]1 ZINC000823005555 583822921 /nfs/dbraw/zinc/82/29/21/583822921.db2.gz WIDUYGSCDZAHBH-UHFFFAOYSA-N -1 3 340.347 -0.322 20 0 EBADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCCCn1cccn1 ZINC000823022774 583823219 /nfs/dbraw/zinc/82/32/19/583823219.db2.gz OEJAYLFBOPBDHO-UHFFFAOYSA-N -1 3 344.335 -0.245 20 0 EBADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCCCn1cccn1 ZINC000823022774 583823220 /nfs/dbraw/zinc/82/32/20/583823220.db2.gz OEJAYLFBOPBDHO-UHFFFAOYSA-N -1 3 344.335 -0.245 20 0 EBADHM O=C(Cn1ccnc1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823123057 583824228 /nfs/dbraw/zinc/82/42/28/583824228.db2.gz MEFZXWIDZHUAIS-UHFFFAOYSA-N -1 3 339.363 -0.193 20 0 EBADHM O=C(Cn1ccnc1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823123057 583824229 /nfs/dbraw/zinc/82/42/29/583824229.db2.gz MEFZXWIDZHUAIS-UHFFFAOYSA-N -1 3 339.363 -0.193 20 0 EBADHM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H](N2CCCCC2)C1 ZINC000823122816 583824467 /nfs/dbraw/zinc/82/44/67/583824467.db2.gz ISXXAPJEYRTNTB-NSHDSACASA-N -1 3 331.384 -0.455 20 0 EBADHM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@H](N2CCCCC2)C1 ZINC000823122816 583824468 /nfs/dbraw/zinc/82/44/68/583824468.db2.gz ISXXAPJEYRTNTB-NSHDSACASA-N -1 3 331.384 -0.455 20 0 EBADHM O=C(NC[C@H](O)C1CC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823167090 583826240 /nfs/dbraw/zinc/82/62/40/583826240.db2.gz WJQOMYURLUQWPT-NSHDSACASA-N -1 3 334.311 -0.169 20 0 EBADHM O=C(NC[C@H](O)C1CC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823167090 583826242 /nfs/dbraw/zinc/82/62/42/583826242.db2.gz WJQOMYURLUQWPT-NSHDSACASA-N -1 3 334.311 -0.169 20 0 EBADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000823257857 583827318 /nfs/dbraw/zinc/82/73/18/583827318.db2.gz WCYREGGJDWKYSU-GFCCVEGCSA-N -1 3 342.363 -0.214 20 0 EBADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000823257857 583827321 /nfs/dbraw/zinc/82/73/21/583827321.db2.gz WCYREGGJDWKYSU-GFCCVEGCSA-N -1 3 342.363 -0.214 20 0 EBADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000823460754 583829444 /nfs/dbraw/zinc/82/94/44/583829444.db2.gz TUXCVSYTMXKFBN-SNVBAGLBSA-N -1 3 330.352 -0.175 20 0 EBADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000823460754 583829446 /nfs/dbraw/zinc/82/94/46/583829446.db2.gz TUXCVSYTMXKFBN-SNVBAGLBSA-N -1 3 330.352 -0.175 20 0 EBADHM O=C1[C@@H](N2CCO[C@@H](CO)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823504428 583830283 /nfs/dbraw/zinc/83/02/83/583830283.db2.gz QBOPYLMIKGYDPN-KGLIPLIRSA-N -1 3 344.375 -0.335 20 0 EBADHM O=C1[C@@H](N2CCO[C@@H](CO)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823504428 583830286 /nfs/dbraw/zinc/83/02/86/583830286.db2.gz QBOPYLMIKGYDPN-KGLIPLIRSA-N -1 3 344.375 -0.335 20 0 EBADHM O=C1C[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CN1C1CC1 ZINC000823518900 583830889 /nfs/dbraw/zinc/83/08/89/583830889.db2.gz BIDDKMWJYNBTLQ-JTQLQIEISA-N -1 3 348.388 -0.092 20 0 EBADHM O=C1C[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CN1C1CC1 ZINC000823518900 583830890 /nfs/dbraw/zinc/83/08/90/583830890.db2.gz BIDDKMWJYNBTLQ-JTQLQIEISA-N -1 3 348.388 -0.092 20 0 EBADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCC(=O)NC1=O ZINC000823526132 583831153 /nfs/dbraw/zinc/83/11/53/583831153.db2.gz ZQQYHLUGXFKYBE-LLVKDONJSA-N -1 3 328.332 -0.279 20 0 EBADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCC(=O)NC1=O ZINC000823526132 583831155 /nfs/dbraw/zinc/83/11/55/583831155.db2.gz ZQQYHLUGXFKYBE-LLVKDONJSA-N -1 3 328.332 -0.279 20 0 EBADHM CC(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000823980388 583839540 /nfs/dbraw/zinc/83/95/40/583839540.db2.gz BVDKPEALYIIXEQ-YGRLFVJLSA-N -1 3 344.375 -0.021 20 0 EBADHM CC(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000823980388 583839542 /nfs/dbraw/zinc/83/95/42/583839542.db2.gz BVDKPEALYIIXEQ-YGRLFVJLSA-N -1 3 344.375 -0.021 20 0 EBADHM C[C@@H](C(=O)NC(N)=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824041003 583840456 /nfs/dbraw/zinc/84/04/56/583840456.db2.gz WNIIJISTUWCDPQ-JOYOIKCWSA-N -1 3 345.363 -0.177 20 0 EBADHM C[C@@H](C(=O)NC(N)=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824041003 583840458 /nfs/dbraw/zinc/84/04/58/583840458.db2.gz WNIIJISTUWCDPQ-JOYOIKCWSA-N -1 3 345.363 -0.177 20 0 EBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@H](NC(N)=O)C1 ZINC000824045219 583840646 /nfs/dbraw/zinc/84/06/46/583840646.db2.gz JFZCWJGGTITRSZ-ZJUUUORDSA-N -1 3 344.379 -0.064 20 0 EBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@H](NC(N)=O)C1 ZINC000824045219 583840647 /nfs/dbraw/zinc/84/06/47/583840647.db2.gz JFZCWJGGTITRSZ-ZJUUUORDSA-N -1 3 344.379 -0.064 20 0 EBADHM CC(C)CN(CC(N)=O)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255542 583842902 /nfs/dbraw/zinc/84/29/02/583842902.db2.gz NKOKPRLJNFLDGP-ZDUSSCGKSA-N -1 3 332.364 -0.130 20 0 EBADHM CC(C)CN(CC(N)=O)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255542 583842904 /nfs/dbraw/zinc/84/29/04/583842904.db2.gz NKOKPRLJNFLDGP-ZDUSSCGKSA-N -1 3 332.364 -0.130 20 0 EBADHM CC(C)N(C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824284192 583843318 /nfs/dbraw/zinc/84/33/18/583843318.db2.gz DARHEVYQLHVLBY-UHFFFAOYSA-N -1 3 335.416 -0.097 20 0 EBADHM CC(C)N(C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824284192 583843321 /nfs/dbraw/zinc/84/33/21/583843321.db2.gz DARHEVYQLHVLBY-UHFFFAOYSA-N -1 3 335.416 -0.097 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CN1CCN(C)CC1 ZINC000824420923 583845285 /nfs/dbraw/zinc/84/52/85/583845285.db2.gz QGMJLTZZXGDVTN-LLVKDONJSA-N -1 3 332.412 -0.192 20 0 EBADHM C[C@H](CNC(=O)COc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC000824422177 583845791 /nfs/dbraw/zinc/84/57/91/583845791.db2.gz YFBFTCGBRNZYGW-SECBINFHSA-N -1 3 339.377 -0.205 20 0 EBADHM C[C@H](CNC(=O)COc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC000824422177 583845792 /nfs/dbraw/zinc/84/57/92/583845792.db2.gz YFBFTCGBRNZYGW-SECBINFHSA-N -1 3 339.377 -0.205 20 0 EBADHM C[C@H](CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)S(N)(=O)=O ZINC000824422121 583845851 /nfs/dbraw/zinc/84/58/51/583845851.db2.gz XHAQVYQLWOZDAU-RXMQYKEDSA-N -1 3 346.319 -0.448 20 0 EBADHM C[C@H](CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)S(N)(=O)=O ZINC000824422121 583845854 /nfs/dbraw/zinc/84/58/54/583845854.db2.gz XHAQVYQLWOZDAU-RXMQYKEDSA-N -1 3 346.319 -0.448 20 0 EBADHM C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824450743 583846579 /nfs/dbraw/zinc/84/65/79/583846579.db2.gz ZEDBINHEWVLTMV-JRSYYBBYSA-N -1 3 336.377 -0.312 20 0 EBADHM C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824450743 583846581 /nfs/dbraw/zinc/84/65/81/583846581.db2.gz ZEDBINHEWVLTMV-JRSYYBBYSA-N -1 3 336.377 -0.312 20 0 EBADHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C(N)=O ZINC000824640421 583848111 /nfs/dbraw/zinc/84/81/11/583848111.db2.gz IIKLFBQMPHHWMP-YFKPBYRVSA-N -1 3 330.757 -0.328 20 0 EBADHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C(N)=O ZINC000824640421 583848112 /nfs/dbraw/zinc/84/81/12/583848112.db2.gz IIKLFBQMPHHWMP-YFKPBYRVSA-N -1 3 330.757 -0.328 20 0 EBADHM C[C@@H](O)C(=O)N1CCN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824680010 583848552 /nfs/dbraw/zinc/84/85/52/583848552.db2.gz XTVVPYOGXNQRDY-BXUZGUMPSA-N -1 3 346.391 -0.575 20 0 EBADHM C[C@@H](O)C(=O)N1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824680010 583848553 /nfs/dbraw/zinc/84/85/53/583848553.db2.gz XTVVPYOGXNQRDY-BXUZGUMPSA-N -1 3 346.391 -0.575 20 0 EBADHM C[C@@H](OC(=O)C(C)(CO)CO)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824706205 583849158 /nfs/dbraw/zinc/84/91/58/583849158.db2.gz HLZBSMDDXVYVBB-SECBINFHSA-N -1 3 349.347 -0.272 20 0 EBADHM C[C@@H](OC(=O)C(C)(CO)CO)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824706205 583849159 /nfs/dbraw/zinc/84/91/59/583849159.db2.gz HLZBSMDDXVYVBB-SECBINFHSA-N -1 3 349.347 -0.272 20 0 EBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(CO)COC1 ZINC000824745298 583849924 /nfs/dbraw/zinc/84/99/24/583849924.db2.gz QSLJSHFROMEJLH-JTQLQIEISA-N -1 3 333.348 -0.241 20 0 EBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(CO)COC1 ZINC000824745298 583849925 /nfs/dbraw/zinc/84/99/25/583849925.db2.gz QSLJSHFROMEJLH-JTQLQIEISA-N -1 3 333.348 -0.241 20 0 EBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@]1(O)CCOC1 ZINC000824745568 583849929 /nfs/dbraw/zinc/84/99/29/583849929.db2.gz RXGTUIGUVJNEIM-BONVTDFDSA-N -1 3 333.348 -0.098 20 0 EBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@]1(O)CCOC1 ZINC000824745568 583849930 /nfs/dbraw/zinc/84/99/30/583849930.db2.gz RXGTUIGUVJNEIM-BONVTDFDSA-N -1 3 333.348 -0.098 20 0 EBADHM C[C@H]1CC(=O)NCCN1C[C@H](O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000824864592 583851364 /nfs/dbraw/zinc/85/13/64/583851364.db2.gz CTNHWWLCTXEHIZ-AAEUAGOBSA-N -1 3 346.391 -0.183 20 0 EBADHM C[C@H]1CC(=O)NCCN1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824864592 583851367 /nfs/dbraw/zinc/85/13/67/583851367.db2.gz CTNHWWLCTXEHIZ-AAEUAGOBSA-N -1 3 346.391 -0.183 20 0 EBADHM C[C@@](CNC(=O)[O-])(NCC(=O)NCC(=O)N1CCCC1)C1CC1 ZINC000824952235 583852881 /nfs/dbraw/zinc/85/28/81/583852881.db2.gz LJMBTPFBEKZEJU-HNNXBMFYSA-N -1 3 326.397 -0.249 20 0 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EBADHM COCC[C@](C)(O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826154053 583885185 /nfs/dbraw/zinc/88/51/85/583885185.db2.gz HBPDSOCZXKINMN-ZDUSSCGKSA-N -1 3 341.393 -0.068 20 0 EBADHM COCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826154236 583885603 /nfs/dbraw/zinc/88/56/03/583885603.db2.gz KYRSSRDGQRZTNZ-JTQLQIEISA-N -1 3 340.365 -0.965 20 0 EBADHM COCC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826154236 583885605 /nfs/dbraw/zinc/88/56/05/583885605.db2.gz KYRSSRDGQRZTNZ-JTQLQIEISA-N -1 3 340.365 -0.965 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)Cn1ncn(C)c1=O ZINC000826174133 583886840 /nfs/dbraw/zinc/88/68/40/583886840.db2.gz JOCJRNOPFPFENE-UHFFFAOYSA-N -1 3 331.292 -0.624 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)Cn1ncn(C)c1=O ZINC000826174133 583886842 /nfs/dbraw/zinc/88/68/42/583886842.db2.gz JOCJRNOPFPFENE-UHFFFAOYSA-N -1 3 331.292 -0.624 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CS(C)(=O)=O ZINC000826171871 583886854 /nfs/dbraw/zinc/88/68/54/583886854.db2.gz BNADNSMLXMNGSC-UHFFFAOYSA-N -1 3 326.334 -0.037 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CS(C)(=O)=O ZINC000826171871 583886856 /nfs/dbraw/zinc/88/68/56/583886856.db2.gz BNADNSMLXMNGSC-UHFFFAOYSA-N -1 3 326.334 -0.037 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)C[C@H](O)CO ZINC000826174229 583886897 /nfs/dbraw/zinc/88/68/97/583886897.db2.gz OKTZUIQDZZSHIN-JTQLQIEISA-N -1 3 337.336 -0.934 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)C[C@H](O)CO ZINC000826174229 583886898 /nfs/dbraw/zinc/88/68/98/583886898.db2.gz OKTZUIQDZZSHIN-JTQLQIEISA-N -1 3 337.336 -0.934 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCn2c(CO)nnc2C1 ZINC000826184213 583887031 /nfs/dbraw/zinc/88/70/31/583887031.db2.gz OLZPQGBGBOWKJF-UHFFFAOYSA-N -1 3 342.363 -0.025 20 0 EBADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCn2c(CO)nnc2C1 ZINC000826184213 583887033 /nfs/dbraw/zinc/88/70/33/583887033.db2.gz OLZPQGBGBOWKJF-UHFFFAOYSA-N -1 3 342.363 -0.025 20 0 EBADHM COc1ccc(CNC(=O)N2CCO[C@H](CO)C2)cc1-c1nnn[n-]1 ZINC000826197722 583887766 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Cc1c(C(=O)n2ncc(-c3nnn[n-]3)c2N)cccc1S(N)(=O)=O ZINC000826235582 583888848 /nfs/dbraw/zinc/88/88/48/583888848.db2.gz MNXLZXHKAVFAIT-UHFFFAOYSA-N -1 3 348.348 -0.710 20 0 EBADHM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1S(C)(=O)=O ZINC000826232369 583888996 /nfs/dbraw/zinc/88/89/96/583888996.db2.gz GCYQXJRDOMTTNO-QMMMGPOBSA-N -1 3 339.381 -0.699 20 0 EBADHM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1S(C)(=O)=O ZINC000826232369 583888999 /nfs/dbraw/zinc/88/89/99/583888999.db2.gz GCYQXJRDOMTTNO-QMMMGPOBSA-N -1 3 339.381 -0.699 20 0 EBADHM Cc1c(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cccc1-c1nnn[n-]1 ZINC000826240831 583889424 /nfs/dbraw/zinc/88/94/24/583889424.db2.gz ILUUBXXLLKQEID-HNNXBMFYSA-N -1 3 346.347 -0.619 20 0 EBADHM Cc1c(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cccc1-c1nn[n-]n1 ZINC000826240831 583889426 /nfs/dbraw/zinc/88/94/26/583889426.db2.gz ILUUBXXLLKQEID-HNNXBMFYSA-N -1 3 346.347 -0.619 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000826244689 583889436 /nfs/dbraw/zinc/88/94/36/583889436.db2.gz ANGXRYWSRJWBAZ-JTQLQIEISA-N -1 3 336.377 -0.322 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000826244689 583889438 /nfs/dbraw/zinc/88/94/38/583889438.db2.gz ANGXRYWSRJWBAZ-JTQLQIEISA-N -1 3 336.377 -0.322 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000826248832 583889788 /nfs/dbraw/zinc/88/97/88/583889788.db2.gz YSFXKAYZFRFCOJ-ZDUSSCGKSA-N -1 3 327.392 -0.095 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000826248832 583889790 /nfs/dbraw/zinc/88/97/90/583889790.db2.gz YSFXKAYZFRFCOJ-ZDUSSCGKSA-N -1 3 327.392 -0.095 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCOCCO ZINC000826255834 583890081 /nfs/dbraw/zinc/89/00/81/583890081.db2.gz LZXZBYYUSPXXKV-UHFFFAOYSA-N -1 3 327.366 -0.538 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCOCCO ZINC000826255834 583890083 /nfs/dbraw/zinc/89/00/83/583890083.db2.gz LZXZBYYUSPXXKV-UHFFFAOYSA-N -1 3 327.366 -0.538 20 0 EBADHM Cc1cccc(S(=O)(=O)N2CCn3cnnc3C2)c1-c1nnn[n-]1 ZINC000826301534 583890775 /nfs/dbraw/zinc/89/07/75/583890775.db2.gz HUPQSYJSUBVCIS-UHFFFAOYSA-N -1 3 346.376 -0.029 20 0 EBADHM Cc1cccc(S(=O)(=O)N2CCn3cnnc3C2)c1-c1nn[n-]n1 ZINC000826301534 583890777 /nfs/dbraw/zinc/89/07/77/583890777.db2.gz HUPQSYJSUBVCIS-UHFFFAOYSA-N -1 3 346.376 -0.029 20 0 EBADHM Cc1nnc(NCCNC(=O)c2ccn[nH]2)c(-c2nnn[n-]2)c1C ZINC000826336870 583891585 /nfs/dbraw/zinc/89/15/85/583891585.db2.gz RNOWYNNVOVHMSV-UHFFFAOYSA-N -1 3 328.340 -0.161 20 0 EBADHM Cc1nnc(NCCNC(=O)c2ccn[nH]2)c(-c2nn[n-]n2)c1C ZINC000826336870 583891586 /nfs/dbraw/zinc/89/15/86/583891586.db2.gz RNOWYNNVOVHMSV-UHFFFAOYSA-N -1 3 328.340 -0.161 20 0 EBADHM Cc1nnc(SCCNS(C)(=O)=O)c(-c2nnn[n-]2)c1C ZINC000826336608 583891684 /nfs/dbraw/zinc/89/16/84/583891684.db2.gz FVEWLTCPEHSCHS-UHFFFAOYSA-N -1 3 329.411 -0.085 20 0 EBADHM Cc1nnc(SCCNS(C)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000826336608 583891687 /nfs/dbraw/zinc/89/16/87/583891687.db2.gz FVEWLTCPEHSCHS-UHFFFAOYSA-N -1 3 329.411 -0.085 20 0 EBADHM Cc1nn(CC(=O)N2CCOC[C@H]2C2CC2)c(N)c1-c1nnn[n-]1 ZINC000826334076 583891817 /nfs/dbraw/zinc/89/18/17/583891817.db2.gz GXEJISWHOSDVMU-JTQLQIEISA-N -1 3 332.368 -0.409 20 0 EBADHM Cc1nn(CC(=O)N2CCOC[C@H]2C2CC2)c(N)c1-c1nn[n-]n1 ZINC000826334076 583891819 /nfs/dbraw/zinc/89/18/19/583891819.db2.gz GXEJISWHOSDVMU-JTQLQIEISA-N -1 3 332.368 -0.409 20 0 EBADHM Cc1onc(CC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826345414 583892669 /nfs/dbraw/zinc/89/26/69/583892669.db2.gz KPGINHASYIXDBR-VHSXEESVSA-N -1 3 349.395 -0.069 20 0 EBADHM Cc1onc(CC(=O)N[C@H](C)[C@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826345415 583892676 /nfs/dbraw/zinc/89/26/76/583892676.db2.gz KPGINHASYIXDBR-ZJUUUORDSA-N -1 3 349.395 -0.069 20 0 EBADHM Cn1c2cc(C(=O)n3ncc(-c4nnn[n-]4)c3N)ccc2[nH]c1=O ZINC000826354489 583893427 /nfs/dbraw/zinc/89/34/27/583893427.db2.gz GYQSIRSBMWCZBM-UHFFFAOYSA-N -1 3 325.292 -0.074 20 0 EBADHM Cn1cc(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC000826361416 583894544 /nfs/dbraw/zinc/89/45/44/583894544.db2.gz WRSQJNSETRDPEX-UHFFFAOYSA-N -1 3 326.368 -0.288 20 0 EBADHM Cn1cc(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC000826361416 583894545 /nfs/dbraw/zinc/89/45/45/583894545.db2.gz WRSQJNSETRDPEX-UHFFFAOYSA-N -1 3 326.368 -0.288 20 0 EBADHM Cn1ccc(CC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000826362992 583895022 /nfs/dbraw/zinc/89/50/22/583895022.db2.gz RIAFSZOHHDHZEI-UHFFFAOYSA-N -1 3 327.352 -0.234 20 0 EBADHM Cn1ccc(CC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000826362992 583895025 /nfs/dbraw/zinc/89/50/25/583895025.db2.gz RIAFSZOHHDHZEI-UHFFFAOYSA-N -1 3 327.352 -0.234 20 0 EBADHM Cn1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000826362747 583895031 /nfs/dbraw/zinc/89/50/31/583895031.db2.gz HJVCPFNLLZIGBX-UHFFFAOYSA-N -1 3 344.310 -0.006 20 0 EBADHM Cn1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000826362747 583895034 /nfs/dbraw/zinc/89/50/34/583895034.db2.gz HJVCPFNLLZIGBX-UHFFFAOYSA-N -1 3 344.310 -0.006 20 0 EBADHM 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ZINC000826160975 583886311 /nfs/dbraw/zinc/88/63/11/583886311.db2.gz OPHYPTFYLJEGQR-UHFFFAOYSA-N -1 3 335.368 -0.157 20 0 EBADHM COCCOCCCNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826160975 583886314 /nfs/dbraw/zinc/88/63/14/583886314.db2.gz OPHYPTFYLJEGQR-UHFFFAOYSA-N -1 3 335.368 -0.157 20 0 EBADHM COCCN1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1=O ZINC000826159900 583886443 /nfs/dbraw/zinc/88/64/43/583886443.db2.gz XCXICYSRFJIKDS-UHFFFAOYSA-N -1 3 336.377 -0.141 20 0 EBADHM COCCN1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1=O ZINC000826159900 583886445 /nfs/dbraw/zinc/88/64/45/583886445.db2.gz XCXICYSRFJIKDS-UHFFFAOYSA-N -1 3 336.377 -0.141 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CC[C@@H](NC(N)=O)C1 ZINC000826175488 583886641 /nfs/dbraw/zinc/88/66/41/583886641.db2.gz HATKCZCOCHYBGU-LLVKDONJSA-N -1 3 347.379 -0.003 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CC[C@@H](NC(N)=O)C1 ZINC000826175488 583886643 /nfs/dbraw/zinc/88/66/43/583886643.db2.gz HATKCZCOCHYBGU-LLVKDONJSA-N -1 3 347.379 -0.003 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCCn1c(=O)ccn(C)c1=O ZINC000826176428 583887399 /nfs/dbraw/zinc/88/73/99/583887399.db2.gz OYEIZNRTIXDLPH-UHFFFAOYSA-N -1 3 344.331 -0.185 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCCn1c(=O)ccn(C)c1=O ZINC000826176428 583887401 /nfs/dbraw/zinc/88/74/01/583887401.db2.gz OYEIZNRTIXDLPH-UHFFFAOYSA-N -1 3 344.331 -0.185 20 0 EBADHM COc1ccc(Cn2nnc3c(cnn3C)c2=O)cc1-c1nnn[n-]1 ZINC000826209062 583888199 /nfs/dbraw/zinc/88/81/99/583888199.db2.gz LBPUGOIYXLFRMJ-UHFFFAOYSA-N -1 3 339.319 -0.238 20 0 EBADHM COc1ccc(Cn2nnc3c(cnn3C)c2=O)cc1-c1nn[n-]n1 ZINC000826209062 583888201 /nfs/dbraw/zinc/88/82/01/583888201.db2.gz LBPUGOIYXLFRMJ-UHFFFAOYSA-N -1 3 339.319 -0.238 20 0 EBADHM C[S@@](=O)c1ncn(C[C@H](O)COc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826224582 583888623 /nfs/dbraw/zinc/88/86/23/583888623.db2.gz IFPPXXZNPOBGLN-CCGUKBGLSA-N -1 3 349.376 -0.365 20 0 EBADHM C[S@@](=O)c1ncn(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826224582 583888624 /nfs/dbraw/zinc/88/86/24/583888624.db2.gz 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ZINC000826244690 583889639 /nfs/dbraw/zinc/88/96/39/583889639.db2.gz ANGXRYWSRJWBAZ-SNVBAGLBSA-N -1 3 336.377 -0.322 20 0 EBADHM Cc1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc(=O)[nH]1 ZINC000826261690 583889810 /nfs/dbraw/zinc/88/98/10/583889810.db2.gz NYDKSCRRWJINPX-UHFFFAOYSA-N -1 3 330.308 -0.089 20 0 EBADHM Cc1cc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc(=O)[nH]1 ZINC000826261690 583889811 /nfs/dbraw/zinc/88/98/11/583889811.db2.gz NYDKSCRRWJINPX-UHFFFAOYSA-N -1 3 330.308 -0.089 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCN1C(=O)CNC1=O ZINC000826248731 583890094 /nfs/dbraw/zinc/89/00/94/583890094.db2.gz UYWCADFSMJCYHW-UHFFFAOYSA-N -1 3 329.320 -0.543 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCN1C(=O)CNC1=O ZINC000826248731 583890096 /nfs/dbraw/zinc/89/00/96/583890096.db2.gz UYWCADFSMJCYHW-UHFFFAOYSA-N -1 3 329.320 -0.543 20 0 EBADHM Cc1cccc(S(=O)(=O)NCCS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826303284 583890832 /nfs/dbraw/zinc/89/08/32/583890832.db2.gz IJQDATNFGQIDKK-UHFFFAOYSA-N -1 3 345.406 -0.502 20 0 EBADHM Cc1cccc(S(=O)(=O)NCCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826303284 583890833 /nfs/dbraw/zinc/89/08/33/583890833.db2.gz IJQDATNFGQIDKK-UHFFFAOYSA-N -1 3 345.406 -0.502 20 0 EBADHM Cc1nnc(N2CCN3C(=O)NC(=O)[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826336073 583891865 /nfs/dbraw/zinc/89/18/65/583891865.db2.gz MEZFORWBPSGNLY-QMMMGPOBSA-N -1 3 329.324 -0.986 20 0 EBADHM Cc1onc(CC(=O)N2CC[C@H](N3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826344046 583892100 /nfs/dbraw/zinc/89/21/00/583892100.db2.gz VXAFBEBUBXCCTI-NSHDSACASA-N -1 3 347.379 -0.361 20 0 EBADHM Cc1onc(CC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826344506 583892696 /nfs/dbraw/zinc/89/26/96/583892696.db2.gz KBJMPYXBYSPREJ-NXEZZACHSA-N -1 3 349.395 -0.381 20 0 EBADHM Cc1onc(CC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826344506 583892697 /nfs/dbraw/zinc/89/26/97/583892697.db2.gz KBJMPYXBYSPREJ-NXEZZACHSA-N -1 3 349.395 -0.381 20 0 EBADHM Cn1cc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000826362425 583894407 /nfs/dbraw/zinc/89/44/07/583894407.db2.gz RRFKHWZNSWCYQK-JTQLQIEISA-N -1 3 341.335 -0.536 20 0 EBADHM Cn1cc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000826362425 583894410 /nfs/dbraw/zinc/89/44/10/583894410.db2.gz RRFKHWZNSWCYQK-JTQLQIEISA-N -1 3 341.335 -0.536 20 0 EBADHM Cn1nnnc1CCNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826366999 583895178 /nfs/dbraw/zinc/89/51/78/583895178.db2.gz HIZLTBIMPRMWPE-UHFFFAOYSA-N -1 3 328.340 -0.568 20 0 EBADHM Cn1nnnc1CCNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826366999 583895179 /nfs/dbraw/zinc/89/51/79/583895179.db2.gz HIZLTBIMPRMWPE-UHFFFAOYSA-N -1 3 328.340 -0.568 20 0 EBADHM Cn1nccc1NC(=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826367111 583895201 /nfs/dbraw/zinc/89/52/01/583895201.db2.gz MGYDRBJNQLTSLM-UHFFFAOYSA-N -1 3 344.310 -0.006 20 0 EBADHM Cn1nccc1NC(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826367111 583895202 /nfs/dbraw/zinc/89/52/02/583895202.db2.gz MGYDRBJNQLTSLM-UHFFFAOYSA-N -1 3 344.310 -0.006 20 0 EBADHM Cn1nncc1CN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826367453 583895682 /nfs/dbraw/zinc/89/56/82/583895682.db2.gz ZMZKLRMOFDDUDY-UHFFFAOYSA-N -1 3 326.368 -0.288 20 0 EBADHM Cn1nncc1CN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826367453 583895685 /nfs/dbraw/zinc/89/56/85/583895685.db2.gz ZMZKLRMOFDDUDY-UHFFFAOYSA-N -1 3 326.368 -0.288 20 0 EBADHM NC(=O)[C@H]1COCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826390263 583896433 /nfs/dbraw/zinc/89/64/33/583896433.db2.gz VJCBSNDCXGEZJR-LLVKDONJSA-N -1 3 348.388 -0.329 20 0 EBADHM NC(=O)[C@H]1COCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826390263 583896436 /nfs/dbraw/zinc/89/64/36/583896436.db2.gz VJCBSNDCXGEZJR-LLVKDONJSA-N -1 3 348.388 -0.329 20 0 EBADHM NC(=O)[C@H]1COCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826390272 583896518 /nfs/dbraw/zinc/89/65/18/583896518.db2.gz VRFIMRJQZPZVTR-GFCCVEGCSA-N -1 3 330.348 -0.488 20 0 EBADHM NC(=O)[C@H]1COCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826390272 583896519 /nfs/dbraw/zinc/89/65/19/583896519.db2.gz 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ZINC001026532487 730149028 /nfs/dbraw/zinc/14/90/28/730149028.db2.gz IZKWBQAVZHVYJA-UHFFFAOYSA-N -1 3 348.411 -0.119 20 0 EBADHM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CCC(NCc2ccon2)CC1 ZINC001026598697 730152016 /nfs/dbraw/zinc/15/20/16/730152016.db2.gz URVCSMAYCFXZCM-UHFFFAOYSA-N -1 3 336.352 -0.106 20 0 EBADHM COc1nc(C)ncc1C(=O)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026877978 730166196 /nfs/dbraw/zinc/16/61/96/730166196.db2.gz TUGRLDGCWWODBM-JTQLQIEISA-N -1 3 347.379 -0.131 20 0 EBADHM O=C(c1ccnc2ccnn21)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026882877 730166746 /nfs/dbraw/zinc/16/67/46/730166746.db2.gz MXFNNRRSIYFBRT-SNVBAGLBSA-N -1 3 342.363 -0.195 20 0 EBADHM Cc1nn(C)cc1CC(=O)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026889583 730167260 /nfs/dbraw/zinc/16/72/60/730167260.db2.gz BDJLNJUOCNIQKR-LLVKDONJSA-N -1 3 333.396 -0.267 20 0 EBADHM CCc1c[nH]c(CC(=O)N2CC[C@H](CNCc3n[nH]c(=O)[n-]3)C2)n1 ZINC001026895053 730168783 /nfs/dbraw/zinc/16/87/83/730168783.db2.gz VSHVPFKAIIXRAM-SNVBAGLBSA-N -1 3 333.396 -0.023 20 0 EBADHM O=C([C@H]1CCc2cncn2C1)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026926746 730171330 /nfs/dbraw/zinc/17/13/30/730171330.db2.gz CBVMRGAGKMXXIC-NEPJUHHUSA-N -1 3 345.407 -0.093 20 0 EBADHM O=C([C@@H]1CCc2cncn2C1)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026926749 730171340 /nfs/dbraw/zinc/17/13/40/730171340.db2.gz CBVMRGAGKMXXIC-VXGBXAGGSA-N -1 3 345.407 -0.093 20 0 EBADHM O=C([C@H]1CCc2nccn2C1)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026929434 730172382 /nfs/dbraw/zinc/17/23/82/730172382.db2.gz SHDAEMCUTZGJEW-NEPJUHHUSA-N -1 3 345.407 -0.093 20 0 EBADHM O=C(c1cnc2nccn2c1)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026956255 730176075 /nfs/dbraw/zinc/17/60/75/730176075.db2.gz DFPVUVQFIOGXGI-JTQLQIEISA-N -1 3 342.363 -0.195 20 0 EBADHM O=C([C@H]1CCNC(=O)CC1)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026974453 730177981 /nfs/dbraw/zinc/17/79/81/730177981.db2.gz ZCWFNKJVCHNKNT-GHMZBOCLSA-N -1 3 336.396 -0.635 20 0 EBADHM 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3 344.379 -0.201 20 0 EBADHM CC(=O)NCC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573503837 946399109 /nfs/dbraw/zinc/39/91/09/946399109.db2.gz BXIPLFZGZBSPJS-UHFFFAOYSA-N -1 3 344.379 -0.199 20 0 EBADHM CC(=O)NCC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573503837 946399117 /nfs/dbraw/zinc/39/91/17/946399117.db2.gz BXIPLFZGZBSPJS-UHFFFAOYSA-N -1 3 344.379 -0.199 20 0 EBADHM CC(=O)NCC(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573504143 946407022 /nfs/dbraw/zinc/40/70/22/946407022.db2.gz GFKSTBGOXWNACC-LBPRGKRZSA-N -1 3 344.379 -0.565 20 0 EBADHM CC(=O)NCC(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573504143 946407029 /nfs/dbraw/zinc/40/70/29/946407029.db2.gz GFKSTBGOXWNACC-LBPRGKRZSA-N -1 3 344.379 -0.565 20 0 EBADHM CC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573510242 946473284 /nfs/dbraw/zinc/47/32/84/946473284.db2.gz CMDGKALNAGYVFW-HNNXBMFYSA-N -1 3 344.379 -0.517 20 0 EBADHM CC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573510242 946473289 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EBADHM CC(=O)NCC(=O)NCC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001573514772 946532073 /nfs/dbraw/zinc/53/20/73/946532073.db2.gz CRMNXZOLUZARKD-UHFFFAOYSA-N -1 3 345.363 -0.956 20 0 EBADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573516136 946555704 /nfs/dbraw/zinc/55/57/04/946555704.db2.gz VCPCIFWIBDXGNQ-GFCCVEGCSA-N -1 3 344.379 -0.517 20 0 EBADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573516136 946555715 /nfs/dbraw/zinc/55/57/15/946555715.db2.gz VCPCIFWIBDXGNQ-GFCCVEGCSA-N -1 3 344.379 -0.517 20 0 EBADHM CC(=O)NCC(=O)NC[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573516023 946557733 /nfs/dbraw/zinc/55/77/33/946557733.db2.gz UOFSAGVLJBYQJQ-LURJTMIESA-N -1 3 338.397 -0.316 20 0 EBADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573516225 946560296 /nfs/dbraw/zinc/56/02/96/946560296.db2.gz WTCBXGLLYGERRL-LLVKDONJSA-N -1 3 344.379 -0.517 20 0 EBADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573516225 946560302 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EBADHM CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573521490 946609379 /nfs/dbraw/zinc/60/93/79/946609379.db2.gz XYLVKCFNPNFQQF-XYPYZODXSA-N -1 3 344.379 -0.296 20 0 EBADHM CC(=O)NCC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573521727 946610554 /nfs/dbraw/zinc/61/05/54/946610554.db2.gz CQWRBTPBXWMFID-UMSPYCQHSA-N -1 3 344.379 -0.296 20 0 EBADHM CC(=O)NCC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573521727 946610560 /nfs/dbraw/zinc/61/05/60/946610560.db2.gz CQWRBTPBXWMFID-UMSPYCQHSA-N -1 3 344.379 -0.296 20 0 EBADHM CC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573521845 946613871 /nfs/dbraw/zinc/61/38/71/946613871.db2.gz KQRDYLJHAQVKBQ-SNVBAGLBSA-N -1 3 349.420 -0.245 20 0 EBADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001573521920 946616781 /nfs/dbraw/zinc/61/67/81/946616781.db2.gz ORSLOSVZNMKYLM-SKDRFNHKSA-N -1 3 344.379 -0.519 20 0 EBADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001573521920 946616787 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332.368 -0.390 20 0 EBADHM CC(=O)N(C)CC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573389590 947926782 /nfs/dbraw/zinc/92/67/82/947926782.db2.gz UJBRHXJMCVTQAK-UHFFFAOYSA-N -1 3 332.368 -0.390 20 0 EBADHM CC(=O)N(C)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573390193 947928356 /nfs/dbraw/zinc/92/83/56/947928356.db2.gz XDPKOHNWGWFMGR-SNVBAGLBSA-N -1 3 346.395 -0.001 20 0 EBADHM CC(=O)N(C)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573390193 947928360 /nfs/dbraw/zinc/92/83/60/947928360.db2.gz XDPKOHNWGWFMGR-SNVBAGLBSA-N -1 3 346.395 -0.001 20 0 EBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573403437 948010446 /nfs/dbraw/zinc/01/04/46/948010446.db2.gz MQVFUMVBDLDUGB-LBPRGKRZSA-N -1 3 344.379 -0.565 20 0 EBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573403437 948010456 /nfs/dbraw/zinc/01/04/56/948010456.db2.gz MQVFUMVBDLDUGB-LBPRGKRZSA-N -1 3 344.379 -0.565 20 0 EBADHM CC(=O)N(C)CC(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573404780 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Cc1nonc1CN1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001570941837 949248153 /nfs/dbraw/zinc/24/81/53/949248153.db2.gz AAAAJTHUIVQPAB-UHFFFAOYSA-N -1 3 343.351 -0.157 20 0 EBADHM C[C@@H](CNC(=O)Cc1c[nH]cn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574941106 949290052 /nfs/dbraw/zinc/29/00/52/949290052.db2.gz AJVKZJIWHGPXPP-VIFPVBQESA-N -1 3 342.367 -0.437 20 0 EBADHM C[C@@H](CNC(=O)Cc1c[nH]cn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574941106 949290066 /nfs/dbraw/zinc/29/00/66/949290066.db2.gz AJVKZJIWHGPXPP-VIFPVBQESA-N -1 3 342.367 -0.437 20 0 EBADHM O=C(NC1CN(Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1COC(=O)N1 ZINC001570942558 949293254 /nfs/dbraw/zinc/29/32/54/949293254.db2.gz OGFDOMIIFFZTQL-GFCCVEGCSA-N -1 3 343.347 -0.725 20 0 EBADHM O=C(NC1CN(Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1COC(=O)N1 ZINC001570942558 949293275 /nfs/dbraw/zinc/29/32/75/949293275.db2.gz OGFDOMIIFFZTQL-GFCCVEGCSA-N -1 3 343.347 -0.725 20 0 EBADHM CC(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574110036 949343581 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CN1Cc2ccccc2[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000826044801 583875218 /nfs/dbraw/zinc/87/52/18/583875218.db2.gz KSOIEOZTOSKVLT-LBPRGKRZSA-N -1 3 339.363 -0.239 20 0 EBADHM CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826053719 583875787 /nfs/dbraw/zinc/87/57/87/583875787.db2.gz YKXZDBGZKVABEC-UHFFFAOYSA-N -1 3 330.283 -0.124 20 0 EBADHM CNC(=O)[C@@H]1CN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000826060389 583876296 /nfs/dbraw/zinc/87/62/96/583876296.db2.gz LXKMWJLYNLEQKR-OLZOCXBDSA-N -1 3 332.364 -0.653 20 0 EBADHM CNC(=O)[C@@H]1CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826060389 583876297 /nfs/dbraw/zinc/87/62/97/583876297.db2.gz LXKMWJLYNLEQKR-OLZOCXBDSA-N -1 3 332.364 -0.653 20 0 EBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000826083000 583877135 /nfs/dbraw/zinc/87/71/35/583877135.db2.gz DSJHPKCDFBHQBZ-ZETCQYMHSA-N -1 3 342.406 -0.308 20 0 EBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000826083000 583877137 /nfs/dbraw/zinc/87/71/37/583877137.db2.gz DSJHPKCDFBHQBZ-ZETCQYMHSA-N -1 3 342.406 -0.308 20 0 EBADHM COC(=O)[C@@H](NCc1ncn(C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111347 583879364 /nfs/dbraw/zinc/87/93/64/583879364.db2.gz DCKRXAFGQXZGRZ-LBPRGKRZSA-N -1 3 328.336 -0.001 20 0 EBADHM COC(=O)[C@@H](NCc1ncn(C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111347 583879366 /nfs/dbraw/zinc/87/93/66/583879366.db2.gz DCKRXAFGQXZGRZ-LBPRGKRZSA-N -1 3 328.336 -0.001 20 0 EBADHM COC(=O)[C@]1(NC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC000826123638 583880199 /nfs/dbraw/zinc/88/01/99/583880199.db2.gz IFQYOCGQLMDAJV-WFASDCNBSA-N -1 3 333.348 -0.178 20 0 EBADHM COC(=O)[C@]1(NC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC000826123638 583880201 /nfs/dbraw/zinc/88/02/01/583880201.db2.gz IFQYOCGQLMDAJV-WFASDCNBSA-N -1 3 333.348 -0.178 20 0 EBADHM COC(=O)[C@H]1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826133030 583881794 /nfs/dbraw/zinc/88/17/94/583881794.db2.gz ISCMWWPJRSHVOD-RYUDHWBXSA-N -1 3 331.332 -0.078 20 0 EBADHM COC(=O)[C@H]1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826133030 583881796 /nfs/dbraw/zinc/88/17/96/583881796.db2.gz ISCMWWPJRSHVOD-RYUDHWBXSA-N -1 3 331.332 -0.078 20 0 EBADHM COC[C@@](C)(O)CNS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826148197 583883234 /nfs/dbraw/zinc/88/32/34/583883234.db2.gz BSKHINCCCYGBDW-ZDUSSCGKSA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@@](C)(O)CNS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826148197 583883237 /nfs/dbraw/zinc/88/32/37/583883237.db2.gz BSKHINCCCYGBDW-ZDUSSCGKSA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@](C)(O)CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826148808 583883603 /nfs/dbraw/zinc/88/36/03/583883603.db2.gz RGCLAQRYOAVHJN-GFCCVEGCSA-N -1 3 345.356 -0.319 20 0 EBADHM COC[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)OC ZINC000826149676 583883999 /nfs/dbraw/zinc/88/39/99/583883999.db2.gz MPIXAHGZZQATDM-MRVPVSSYSA-N -1 3 342.381 -0.413 20 0 EBADHM COC[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)OC ZINC000826149676 583884001 /nfs/dbraw/zinc/88/40/01/583884001.db2.gz MPIXAHGZZQATDM-MRVPVSSYSA-N -1 3 342.381 -0.413 20 0 EBADHM COC[C@H](O)CCNS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826151531 583884128 /nfs/dbraw/zinc/88/41/28/583884128.db2.gz CTRGOLXSQLAFFT-SNVBAGLBSA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@H](O)CCNS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826151531 583884129 /nfs/dbraw/zinc/88/41/29/583884129.db2.gz CTRGOLXSQLAFFT-SNVBAGLBSA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C(=O)OC ZINC000826150980 583884311 /nfs/dbraw/zinc/88/43/11/583884311.db2.gz QMAFZFNSAFWYTN-JTQLQIEISA-N -1 3 335.320 -0.450 20 0 EBADHM COC[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C(=O)OC ZINC000826150980 583884313 /nfs/dbraw/zinc/88/43/13/583884313.db2.gz QMAFZFNSAFWYTN-JTQLQIEISA-N -1 3 335.320 -0.450 20 0 EBADHM COC[C@H](O)C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826152113 583884772 /nfs/dbraw/zinc/88/47/72/583884772.db2.gz RDKYRDGCWFKGGT-NWDGAFQWSA-N -1 3 347.331 -0.478 20 0 EBADHM COC[C@H](O)C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826152113 583884774 /nfs/dbraw/zinc/88/47/74/583884774.db2.gz RDKYRDGCWFKGGT-NWDGAFQWSA-N -1 3 347.331 -0.478 20 0 EBADHM COCC[C@@](C)(O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826154052 583884932 /nfs/dbraw/zinc/88/49/32/583884932.db2.gz HBPDSOCZXKINMN-CYBMUJFWSA-N -1 3 341.393 -0.068 20 0 EBADHM COCC[C@@](C)(O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826154052 583884934 /nfs/dbraw/zinc/88/49/34/583884934.db2.gz HBPDSOCZXKINMN-CYBMUJFWSA-N -1 3 341.393 -0.068 20 0 EBADHM COCCOCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826160856 583886197 /nfs/dbraw/zinc/88/61/97/583886197.db2.gz JTPSSFOLLKQEAT-UHFFFAOYSA-N -1 3 327.366 -0.192 20 0 EBADHM COCCOCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826160856 583886200 /nfs/dbraw/zinc/88/62/00/583886200.db2.gz JTPSSFOLLKQEAT-UHFFFAOYSA-N -1 3 327.366 -0.192 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1C[C@@H](O)C[C@@H]1CO ZINC000826175950 583886909 /nfs/dbraw/zinc/88/69/09/583886909.db2.gz VWLZFHMXCIMNCX-NEPJUHHUSA-N -1 3 335.364 -0.318 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1C[C@@H](O)C[C@@H]1CO ZINC000826175950 583886910 /nfs/dbraw/zinc/88/69/10/583886910.db2.gz VWLZFHMXCIMNCX-NEPJUHHUSA-N -1 3 335.364 -0.318 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1nnnn1C ZINC000826186220 583887220 /nfs/dbraw/zinc/88/72/20/583887220.db2.gz JXOYQNNHJVIBKF-UHFFFAOYSA-N -1 3 344.339 -0.237 20 0 EBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1nnnn1C ZINC000826186220 583887222 /nfs/dbraw/zinc/88/72/22/583887222.db2.gz JXOYQNNHJVIBKF-UHFFFAOYSA-N -1 3 344.339 -0.237 20 0 EBADHM COc1ccc(CNC(=O)N(C)[C@@H]2CCNC2=O)cc1-c1nnn[n-]1 ZINC000826197592 583887699 /nfs/dbraw/zinc/88/76/99/583887699.db2.gz VUXLZENWFXBKGM-LLVKDONJSA-N -1 3 345.363 -0.095 20 0 EBADHM COc1ccc(CNC(=O)N(C)[C@@H]2CCNC2=O)cc1-c1nn[n-]n1 ZINC000826197592 583887700 /nfs/dbraw/zinc/88/77/00/583887700.db2.gz VUXLZENWFXBKGM-LLVKDONJSA-N -1 3 345.363 -0.095 20 0 EBADHM CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000826223741 583888508 /nfs/dbraw/zinc/88/85/08/583888508.db2.gz YKGHKYBRDGEDKX-MRVPVSSYSA-N -1 3 339.381 -0.794 20 0 EBADHM CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000826223741 583888510 /nfs/dbraw/zinc/88/85/10/583888510.db2.gz YKGHKYBRDGEDKX-MRVPVSSYSA-N -1 3 339.381 -0.794 20 0 EBADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826223359 583888715 /nfs/dbraw/zinc/88/87/15/583888715.db2.gz KIGOXVUPDGUTHH-SECBINFHSA-N -1 3 339.381 -0.651 20 0 EBADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826223359 583888717 /nfs/dbraw/zinc/88/87/17/583888717.db2.gz KIGOXVUPDGUTHH-SECBINFHSA-N -1 3 339.381 -0.651 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1CCN(CC(N)=O)CC1 ZINC000826248048 583889595 /nfs/dbraw/zinc/88/95/95/583889595.db2.gz UYHLSQFPEPYSCA-UHFFFAOYSA-N -1 3 343.391 -0.145 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1CCN(CC(N)=O)CC1 ZINC000826248048 583889597 /nfs/dbraw/zinc/88/95/97/583889597.db2.gz UYHLSQFPEPYSCA-UHFFFAOYSA-N -1 3 343.391 -0.145 20 0 EBADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000826262414 583889932 /nfs/dbraw/zinc/88/99/32/583889932.db2.gz NYUFZYDCYNSLMH-UHFFFAOYSA-N -1 3 337.409 -0.040 20 0 EBADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000826262414 583889934 /nfs/dbraw/zinc/88/99/34/583889934.db2.gz NYUFZYDCYNSLMH-UHFFFAOYSA-N -1 3 337.409 -0.040 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCO[C@@H](CO)C1 ZINC000826279649 583890282 /nfs/dbraw/zinc/89/02/82/583890282.db2.gz XGWGWVIKVCZMBS-LLVKDONJSA-N -1 3 339.377 -0.443 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCO[C@@H](CO)C1 ZINC000826279649 583890284 /nfs/dbraw/zinc/89/02/84/583890284.db2.gz XGWGWVIKVCZMBS-LLVKDONJSA-N -1 3 339.377 -0.443 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)[C@@H]1CCNC1=O ZINC000826279155 583890299 /nfs/dbraw/zinc/89/02/99/583890299.db2.gz HNNFKYUHEGROBQ-SNVBAGLBSA-N -1 3 336.377 -0.316 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)[C@@H]1CCNC1=O ZINC000826279155 583890301 /nfs/dbraw/zinc/89/03/01/583890301.db2.gz HNNFKYUHEGROBQ-SNVBAGLBSA-N -1 3 336.377 -0.316 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCOCCO ZINC000826280381 583890376 /nfs/dbraw/zinc/89/03/76/583890376.db2.gz ZTUNDUISDKQTJC-UHFFFAOYSA-N -1 3 327.366 -0.538 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCOCCO ZINC000826280381 583890379 /nfs/dbraw/zinc/89/03/79/583890379.db2.gz ZTUNDUISDKQTJC-UHFFFAOYSA-N -1 3 327.366 -0.538 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCn1ccnn1 ZINC000826280029 583890512 /nfs/dbraw/zinc/89/05/12/583890512.db2.gz LHOSHKWTUKNVHC-UHFFFAOYSA-N -1 3 334.365 -0.255 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCn1ccnn1 ZINC000826280029 583890513 /nfs/dbraw/zinc/89/05/13/583890513.db2.gz LHOSHKWTUKNVHC-UHFFFAOYSA-N -1 3 334.365 -0.255 20 0 EBADHM Cc1cccc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)c1-c1nnn[n-]1 ZINC000826301709 583890883 /nfs/dbraw/zinc/89/08/83/583890883.db2.gz NDODVSDNPCXIAB-AOOOYVTPSA-N -1 3 339.377 -0.709 20 0 EBADHM Cc1cccc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)c1-c1nn[n-]n1 ZINC000826301709 583890884 /nfs/dbraw/zinc/89/08/84/583890884.db2.gz NDODVSDNPCXIAB-AOOOYVTPSA-N -1 3 339.377 -0.709 20 0 EBADHM Cc1ccnc(N2CCN(CC(=O)NC3CC3)CC2)c1-c1nnn[n-]1 ZINC000826310691 583891213 /nfs/dbraw/zinc/89/12/13/583891213.db2.gz FDDARFVYYIDFHZ-UHFFFAOYSA-N -1 3 342.407 -0.029 20 0 EBADHM Cc1ccnc(N2CCN(CC(=O)NC3CC3)CC2)c1-c1nn[n-]n1 ZINC000826310691 583891216 /nfs/dbraw/zinc/89/12/16/583891216.db2.gz FDDARFVYYIDFHZ-UHFFFAOYSA-N -1 3 342.407 -0.029 20 0 EBADHM Cc1nc(CN2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)no1 ZINC000826325994 583891534 /nfs/dbraw/zinc/89/15/34/583891534.db2.gz UTSNTIJPAOVWET-UHFFFAOYSA-N -1 3 343.351 -0.156 20 0 EBADHM Cc1nc(CN2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)no1 ZINC000826325994 583891535 /nfs/dbraw/zinc/89/15/35/583891535.db2.gz UTSNTIJPAOVWET-UHFFFAOYSA-N -1 3 343.351 -0.156 20 0 EBADHM Cc1nnc(N2CCN3C(=O)NC(=O)[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826336072 583891612 /nfs/dbraw/zinc/89/16/12/583891612.db2.gz MEZFORWBPSGNLY-MRVPVSSYSA-N -1 3 329.324 -0.986 20 0 EBADHM Cc1oc(NC(=O)CN2CCOC[C@@H]2C(N)=O)c(-c2nnn[n-]2)c1C ZINC000826341712 583892115 /nfs/dbraw/zinc/89/21/15/583892115.db2.gz OLMIGFZPRROVOU-SECBINFHSA-N -1 3 349.351 -0.799 20 0 EBADHM Cc1onc(CC(=O)NCC(C)(C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826346230 583892919 /nfs/dbraw/zinc/89/29/19/583892919.db2.gz HBYVZGYDTXKXJW-UHFFFAOYSA-N -1 3 349.395 -0.067 20 0 EBADHM Cc1onc(CC(=O)NC[C@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826346512 583892924 /nfs/dbraw/zinc/89/29/24/583892924.db2.gz OBWBMWNEOIOSPW-VIFPVBQESA-N -1 3 335.368 -0.457 20 0 EBADHM Cc1onc(CC(=O)NCCN2CCO[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826347406 583892942 /nfs/dbraw/zinc/89/29/42/583892942.db2.gz PYDLNUSDINPCBR-VIFPVBQESA-N -1 3 335.368 -0.457 20 0 EBADHM Cn1c(=O)[nH]cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1=O ZINC000826354479 583893508 /nfs/dbraw/zinc/89/35/08/583893508.db2.gz GMCAVEKXYXNOBT-UHFFFAOYSA-N -1 3 339.315 -0.131 20 0 EBADHM Cn1c(=O)[nH]cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1=O ZINC000826354479 583893509 /nfs/dbraw/zinc/89/35/09/583893509.db2.gz GMCAVEKXYXNOBT-UHFFFAOYSA-N -1 3 339.315 -0.131 20 0 EBADHM Cn1cc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cn1 ZINC000826361042 583894387 /nfs/dbraw/zinc/89/43/87/583894387.db2.gz JFZKQQHLPXXNRW-UHFFFAOYSA-N -1 3 341.379 -0.114 20 0 EBADHM Cn1cc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cn1 ZINC000826361042 583894388 /nfs/dbraw/zinc/89/43/88/583894388.db2.gz JFZKQQHLPXXNRW-UHFFFAOYSA-N -1 3 341.379 -0.114 20 0 EBADHM Cn1cc([C@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826359192 583894529 /nfs/dbraw/zinc/89/45/29/583894529.db2.gz ZKTREENOWKIZJG-LBPRGKRZSA-N -1 3 349.376 -0.388 20 0 EBADHM Cn1cc([C@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826359192 583894530 /nfs/dbraw/zinc/89/45/30/583894530.db2.gz ZKTREENOWKIZJG-LBPRGKRZSA-N -1 3 349.376 -0.388 20 0 EBADHM Cn1cnc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000826364648 583894976 /nfs/dbraw/zinc/89/49/76/583894976.db2.gz FBNDGEBEBXXXPO-UHFFFAOYSA-N -1 3 338.328 -0.387 20 0 EBADHM Cn1cnn(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1=O ZINC000826365110 583895175 /nfs/dbraw/zinc/89/51/75/583895175.db2.gz BSCVCHHAXWSBHH-UHFFFAOYSA-N -1 3 325.292 -0.140 20 0 EBADHM Cn1cnn(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1=O ZINC000826365110 583895176 /nfs/dbraw/zinc/89/51/76/583895176.db2.gz BSCVCHHAXWSBHH-UHFFFAOYSA-N -1 3 325.292 -0.140 20 0 EBADHM Cn1nnnc1CCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826366862 583895291 /nfs/dbraw/zinc/89/52/91/583895291.db2.gz AZJCITHZWQGRIO-UHFFFAOYSA-N -1 3 328.340 -0.568 20 0 EBADHM Cn1nnnc1CCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826366862 583895293 /nfs/dbraw/zinc/89/52/93/583895293.db2.gz AZJCITHZWQGRIO-UHFFFAOYSA-N -1 3 328.340 -0.568 20 0 EBADHM Cn1cnn(CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1=O ZINC000826365404 583895419 /nfs/dbraw/zinc/89/54/19/583895419.db2.gz MOSRELRGKOJPAJ-UHFFFAOYSA-N -1 3 332.299 -0.783 20 0 EBADHM 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Cc1n[nH]cc1C(=O)N[C@@H]1CCCC[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001085290796 816036830 /nfs/dbraw/zinc/03/68/30/816036830.db2.gz BHNVFCCLYHDCQL-VXGBXAGGSA-N -1 3 333.396 -0.029 20 0 EBADHM CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCc2nc(=O)n(C)[n-]2)nn1 ZINC001085377937 816044987 /nfs/dbraw/zinc/04/49/87/816044987.db2.gz XRGBRQHJHUYLFV-GHMZBOCLSA-N -1 3 348.411 -0.449 20 0 EBADHM CC(C)[C@H](O)C(=O)N1CCc2[nH]nc(C(=O)[N-]c3nnco3)c2C1 ZINC001271308163 816071589 /nfs/dbraw/zinc/07/15/89/816071589.db2.gz NGMPISBUJBSANE-NSHDSACASA-N -1 3 334.336 -0.053 20 0 EBADHM CN1C[C@H](C(=O)N2Cc3[nH]nc(C(=O)[N-]c4nnco4)c3C2)CC1=O ZINC001271357008 816085869 /nfs/dbraw/zinc/08/58/69/816085869.db2.gz PUIHGFLECNWOSB-SSDOTTSWSA-N -1 3 345.319 -0.635 20 0 EBADHM C[C@@H](C(=O)NC1CC1)N1CC[C@H]1CN(C)C(=O)c1cnc[n-]c1=O ZINC001085662615 816103817 /nfs/dbraw/zinc/10/38/17/816103817.db2.gz HDTOSJJGFGLLDU-JQWIXIFHSA-N -1 3 333.392 -0.004 20 0 EBADHM CCN1CC[C@H](N2CC[C@H]2CN(C)C(=O)c2cnc[n-]c2=O)C1=O ZINC001085662906 816104504 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NC(=O)[C@H]1CCSC12CN(C(=O)CNC(=O)c1ccccc1[O-])C2 ZINC001271954012 816271075 /nfs/dbraw/zinc/27/10/75/816271075.db2.gz PSQFDRHXQLOQOE-LLVKDONJSA-N -1 3 349.412 -0.059 20 0 EBADHM Cn1[n-]c(CN[C@H]2C[C@@H](CNC(=O)c3ncccc3F)C2)nc1=O ZINC001086233770 816275337 /nfs/dbraw/zinc/27/53/37/816275337.db2.gz MWLCJLXQFYBIBV-AOOOYVTPSA-N -1 3 334.355 -0.059 20 0 EBADHM COc1ccc(C(=O)NC[C@H]2C[C@@H](NCc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001086245970 816277255 /nfs/dbraw/zinc/27/72/55/816277255.db2.gz HNSQDYWBGNSUGX-DTORHVGOSA-N -1 3 333.352 -0.393 20 0 EBADHM CN1CCO[C@@]2(CCCN(C(=O)Cn3cc(F)c(=O)[n-]c3=O)C2)C1 ZINC001272000605 816286664 /nfs/dbraw/zinc/28/66/64/816286664.db2.gz OCTGGTGRKLCDJK-HNNXBMFYSA-N -1 3 340.355 -0.589 20 0 EBADHM Cc1ncncc1C(=O)NC[C@H]1C[C@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001086312830 816295472 /nfs/dbraw/zinc/29/54/72/816295472.db2.gz RFPBLZRWKCKIMS-XYPYZODXSA-N -1 3 331.380 -0.495 20 0 EBADHM Cn1nnc(CN[C@H]2C[C@H](CNC(=O)c3cccc4n[n-]nc43)C2)n1 ZINC001086374579 816311477 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CN1C(=O)COCC12CN(C(=O)c1ccccc1-c1nn[n-]n1)C2 ZINC001272292531 816389219 /nfs/dbraw/zinc/38/92/19/816389219.db2.gz QNKOPCORBXWOLD-UHFFFAOYSA-N -1 3 328.332 -0.450 20 0 EBADHM C[C@@H](C(=O)N(CCO)CCNCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC001272295586 816390026 /nfs/dbraw/zinc/39/00/26/816390026.db2.gz WEQXQYGVDJVXCB-CYBMUJFWSA-N -1 3 347.419 -0.177 20 0 EBADHM Cn1nnnc1CN[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001086678801 816392082 /nfs/dbraw/zinc/39/20/82/816392082.db2.gz LCVIFCMVWNUPBO-WDEREUQCSA-N -1 3 331.380 -0.001 20 0 EBADHM O=C(NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCC(=O)N1 ZINC001086726495 816397096 /nfs/dbraw/zinc/39/70/96/816397096.db2.gz ICOSIDPGIZLUJM-HBNTYKKESA-N -1 3 336.396 -0.447 20 0 EBADHM O=C(NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)c1c[nH]c(=O)cn1 ZINC001086788775 816405453 /nfs/dbraw/zinc/40/54/53/816405453.db2.gz DLYHAPBFPZKVTK-DTWKUNHWSA-N -1 3 333.352 -0.718 20 0 EBADHM CCO[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001087038104 816452250 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CC[C@@H](C(N)=O)N1CC(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC001032135399 730817882 /nfs/dbraw/zinc/81/78/82/730817882.db2.gz SSYZTMPYYZGSES-ZDUSSCGKSA-N -1 3 344.371 -0.504 20 0 EBADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1C[C@@H]2C[C@H]1CN2[C@H]1CCNC1=O ZINC001032465208 730867633 /nfs/dbraw/zinc/86/76/33/730867633.db2.gz VBRGOSYBJRNXDH-GVXVVHGQSA-N -1 3 343.387 -0.153 20 0 EBADHM CCc1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cnc[n-]c2=O)n1C ZINC001032466903 730868179 /nfs/dbraw/zinc/86/81/79/730868179.db2.gz INYNSXKGFQGNNR-QWRGUYRKSA-N -1 3 343.391 -0.028 20 0 EBADHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H](C)C(N)=O ZINC001032495040 730874401 /nfs/dbraw/zinc/87/44/01/730874401.db2.gz CFFSUWSUVHUCHI-WOPDTQHZSA-N -1 3 333.392 -0.418 20 0 EBADHM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC001032499886 730877259 /nfs/dbraw/zinc/87/72/59/730877259.db2.gz IMVYMEWPVKCCRM-QWRGUYRKSA-N -1 3 335.364 -0.392 20 0 EBADHM CNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)nc(C)[n-]c1=O 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EBADHM C[C@@H](C(=O)NCc1nc(CNCCF)cc(=O)[n-]1)[C@@H]1CCC(=O)N1 ZINC001691421406 1125859491 /nfs/dbraw/zinc/85/94/91/1125859491.db2.gz BNAPMJVEWPASHE-KOLCDFICSA-N -1 3 339.371 -0.228 20 0 EBADHM Cc1ccnn1CC(=O)NCCN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001408572473 1125868785 /nfs/dbraw/zinc/86/87/85/1125868785.db2.gz XUPJXOXHESESJF-UHFFFAOYSA-N -1 3 332.364 -0.116 20 0 EBADHM Cc1nc(C)c(CC(=O)NCCN(C)C(=O)c2cnn(C)n2)c(=O)[n-]1 ZINC001408574251 1125869226 /nfs/dbraw/zinc/86/92/26/1125869226.db2.gz IHCAPYVIHPRBIV-UHFFFAOYSA-N -1 3 347.379 -0.642 20 0 EBADHM Cc1nc(C)c(CC(=O)NCCN(C)C(=O)[C@H]2CCC(=O)N2)c(=O)[n-]1 ZINC001408574522 1125869628 /nfs/dbraw/zinc/86/96/28/1125869628.db2.gz RZMGGYGZYFGPFF-GFCCVEGCSA-N -1 3 349.391 -0.805 20 0 EBADHM CC[C@@H](C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O)N(C)C ZINC001408635049 1125896698 /nfs/dbraw/zinc/89/66/98/1125896698.db2.gz OCYZBSLTZWXTIC-NSHDSACASA-N -1 3 339.396 -0.986 20 0 EBADHM CCCN(CCNC(=O)c1cnn(C)c1N)Cc1nc(=O)n(C)[n-]1 ZINC001481134997 1125929415 /nfs/dbraw/zinc/92/94/15/1125929415.db2.gz ZVLNEENGDVKABK-UHFFFAOYSA-N -1 3 336.400 -0.934 20 0 EBADHM CCN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)c1c(C)nc[n-]c1=O ZINC001408737730 1125939144 /nfs/dbraw/zinc/93/91/44/1125939144.db2.gz LTZOZXXMAQZHFN-SECBINFHSA-N -1 3 337.336 -0.823 20 0 EBADHM CCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1CCCN1C(C)=O ZINC001408757419 1125942031 /nfs/dbraw/zinc/94/20/31/1125942031.db2.gz FAIUDRNLJRHROJ-ZDUSSCGKSA-N -1 3 349.391 -0.229 20 0 EBADHM CCN(CC)CC(=O)N(CC)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408773917 1125945134 /nfs/dbraw/zinc/94/51/34/1125945134.db2.gz XLMWLJHMENWNBI-UHFFFAOYSA-N -1 3 340.384 -0.797 20 0 EBADHM CC[C@@H](C)NC(=O)CNCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001481288528 1125966275 /nfs/dbraw/zinc/96/62/75/1125966275.db2.gz ALPNAELWWXTJLQ-LLVKDONJSA-N -1 3 348.407 -0.401 20 0 EBADHM CC(=O)N[C@@H](C)C(=O)N1CCC([C@H](C)NCc2n[nH]c(=O)[n-]2)CC1 ZINC001481326624 1125976575 /nfs/dbraw/zinc/97/65/75/1125976575.db2.gz JFXOCLRQGBFOBQ-UWVGGRQHSA-N -1 3 338.412 -0.248 20 0 EBADHM Cc1cncn1CC(=O)NCC[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001481440289 1125990198 /nfs/dbraw/zinc/99/01/98/1125990198.db2.gz QXFDUSSGHWOCDJ-CYBMUJFWSA-N -1 3 347.423 -0.358 20 0 EBADHM Cc1cnn(C)c1C(=O)NCC[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001481444870 1125990946 /nfs/dbraw/zinc/99/09/46/1125990946.db2.gz DQJYJDWNPODCLS-GFCCVEGCSA-N -1 3 347.423 -0.208 20 0 EBADHM CCNC(=O)CN1CC(CNC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001481648530 1126031216 /nfs/dbraw/zinc/03/12/16/1126031216.db2.gz UHRWJLOKKFISSA-UHFFFAOYSA-N -1 3 333.392 -0.143 20 0 EBADHM COC(=O)NCC(=O)N1CCC(CCNCc2n[nH]c(=O)[n-]2)CC1 ZINC001481994467 1126071097 /nfs/dbraw/zinc/07/10/97/1126071097.db2.gz NELYMSLMBQDLJZ-UHFFFAOYSA-N -1 3 340.384 -0.415 20 0 EBADHM CO[C@H](C(=O)NC[C@H](C)CNCc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001482128548 1126081185 /nfs/dbraw/zinc/08/11/85/1126081185.db2.gz UKRMOWPQVBNZBV-SKDRFNHKSA-N -1 3 337.384 -0.527 20 0 EBADHM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC001363839122 1126127794 /nfs/dbraw/zinc/12/77/94/1126127794.db2.gz MJRSGISTJFFWAU-QMMMGPOBSA-N -1 3 325.289 -0.214 20 0 EBADHM Cc1nn[nH]c1C(=O)N[C@H](CNCc1nc(=O)n(C)[n-]1)CC(C)C ZINC001482390769 1126143360 /nfs/dbraw/zinc/14/33/60/1126143360.db2.gz LYPUJQIBDOQZID-JTQLQIEISA-N -1 3 336.400 -0.531 20 0 EBADHM COC[C@H](C)C(=O)NC1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001409038369 1126160216 /nfs/dbraw/zinc/16/02/16/1126160216.db2.gz WKVKQQRLVJLLDC-VIFPVBQESA-N -1 3 336.392 -0.049 20 0 EBADHM CCOCCC(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)CC2 ZINC001280383303 1126177296 /nfs/dbraw/zinc/17/72/96/1126177296.db2.gz RRLKVAKWFPBVFS-UHFFFAOYSA-N -1 3 337.424 -0.041 20 0 EBADHM Cc1nc[n-]c(=O)c1CCC(=O)NC1CN(C(=O)c2cn[nH]n2)C1 ZINC001409075232 1126180491 /nfs/dbraw/zinc/18/04/91/1126180491.db2.gz MQTUJYAXZQGKDZ-UHFFFAOYSA-N -1 3 331.336 -0.818 20 0 EBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CN(C(=O)c2cnc[n-]c2=O)C1 ZINC001409088391 1126191775 /nfs/dbraw/zinc/19/17/75/1126191775.db2.gz GXXOTOGMEMUEQN-VIFPVBQESA-N -1 3 349.391 -0.326 20 0 EBADHM CCCn1nnnc1CN(C)CCN(C)C(=O)c1cnc[n-]c1=O ZINC001482605100 1126234685 /nfs/dbraw/zinc/23/46/85/1126234685.db2.gz UBRXDWBKEXVSLX-UHFFFAOYSA-N -1 3 334.384 -0.217 20 0 EBADHM CO[C@]1(C[N-]S(=O)(=O)c2ccc(C)nn2)CCS(=O)(=O)C1 ZINC001414340566 1126236005 /nfs/dbraw/zinc/23/60/05/1126236005.db2.gz CXXQMAFXLYUOLH-NSHDSACASA-N -1 3 335.407 -0.733 20 0 EBADHM CN(CCCNC(=O)CC(N)=O)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001687419593 1126251517 /nfs/dbraw/zinc/25/15/17/1126251517.db2.gz FZIGBOZCJXFDLZ-UHFFFAOYSA-N -1 3 335.364 -0.487 20 0 EBADHM Cc1ccc(C(=O)NC[C@H](O)CNCc2nc(=O)n(C)[n-]2)nc1C ZINC001482751384 1126270879 /nfs/dbraw/zinc/27/08/79/1126270879.db2.gz MECUVSMWJLOUGG-LLVKDONJSA-N -1 3 334.380 -0.999 20 0 EBADHM CCC1(C(=O)NC[C@@H](O)CNCc2nc(=O)n(C)[n-]2)CCCC1 ZINC001482780820 1126282523 /nfs/dbraw/zinc/28/25/23/1126282523.db2.gz IJMGQSOTKYUNRG-NSHDSACASA-N -1 3 325.413 -0.355 20 0 EBADHM CCN(CCNCc1nc(=O)n(C)[n-]1)C(=O)c1cn2c(n1)CCC2 ZINC001482924015 1126302919 /nfs/dbraw/zinc/30/29/19/1126302919.db2.gz CFTSBKBSVCHGGT-UHFFFAOYSA-N -1 3 333.396 -0.497 20 0 EBADHM CCN(CCNCc1nc(=O)n(C)[n-]1)C(=O)c1cc(OC)ns1 ZINC001482925420 1126303194 /nfs/dbraw/zinc/30/31/94/1126303194.db2.gz QAQWSPXSHQWXII-UHFFFAOYSA-N -1 3 340.409 -0.175 20 0 EBADHM Cn1[n-]c(CNC/C=C/CNC(=O)c2ccc3nncn3c2)nc1=O ZINC001483073244 1126329451 /nfs/dbraw/zinc/32/94/51/1126329451.db2.gz YGHRFLAAAZBXRY-NSCUHMNNSA-N -1 3 342.363 -0.773 20 0 EBADHM CCNC(=O)CCC(=O)N[C@H](C)CNCc1cc(=O)n2[n-]ccc2n1 ZINC001483114214 1126334164 /nfs/dbraw/zinc/33/41/64/1126334164.db2.gz FHTGQPGYJYPZBX-LLVKDONJSA-N -1 3 348.407 -0.467 20 0 EBADHM CC[C@H](CNC(=O)c1cc2n(n1)CCO2)NC(=O)c1cnc[n-]c1=O ZINC001409324538 1126343386 /nfs/dbraw/zinc/34/33/86/1126343386.db2.gz SWPIWSYCRDNMCB-SECBINFHSA-N -1 3 346.347 -0.291 20 0 EBADHM CCc1nn(C)cc1C(=O)N[C@@H](C)[C@H](C)NCc1nc(=O)n(C)[n-]1 ZINC001409350526 1126357056 /nfs/dbraw/zinc/35/70/56/1126357056.db2.gz DLYUZZLWOWQMAK-UWVGGRQHSA-N -1 3 335.412 -0.299 20 0 EBADHM CCc1nn(C)cc1C(=O)N[C@H](C)[C@H](C)NCc1nc(=O)n(C)[n-]1 ZINC001409350545 1126357103 /nfs/dbraw/zinc/35/71/03/1126357103.db2.gz DLYUZZLWOWQMAK-VHSXEESVSA-N -1 3 335.412 -0.299 20 0 EBADHM C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)NCc1nc(=O)n(C)[n-]1 ZINC001409380312 1126361230 /nfs/dbraw/zinc/36/12/30/1126361230.db2.gz FNLYDOQXXRHRNZ-WDEREUQCSA-N -1 3 348.407 -0.175 20 0 EBADHM CC[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)NC(=O)c1cnc[n-]c1=O ZINC001409399432 1126363055 /nfs/dbraw/zinc/36/30/55/1126363055.db2.gz QFWBOWPVAWOBSP-CMPLNLGQSA-N -1 3 349.391 -0.182 20 0 EBADHM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)CNC(=O)c1cnc[n-]c1=O ZINC001409724149 1126400383 /nfs/dbraw/zinc/40/03/83/1126400383.db2.gz FHPTUBHNSAFMJQ-SNVBAGLBSA-N -1 3 345.359 -0.323 20 0 EBADHM C[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)CNC(=O)c1cnc[n-]c1=O ZINC001409743558 1126405315 /nfs/dbraw/zinc/40/53/15/1126405315.db2.gz UVXHLTOPIWYHQY-MNOVXSKESA-N -1 3 349.391 -0.467 20 0 EBADHM C[C@H](CN(C)Cc1nnn(C)n1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001483353152 1126419402 /nfs/dbraw/zinc/41/94/02/1126419402.db2.gz VKLKPSARVIDDHE-SECBINFHSA-N -1 3 346.395 -0.167 20 0 EBADHM Cn1[n-]c(CNC[C@H](NC(=O)c2cnc3n2CCC3)C2CC2)nc1=O ZINC001483567749 1126435484 /nfs/dbraw/zinc/43/54/84/1126435484.db2.gz RFQQEBBQCUPVFM-NSHDSACASA-N -1 3 345.407 -0.451 20 0 EBADHM CCCC[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CCOC1 ZINC001409840247 1126445644 /nfs/dbraw/zinc/44/56/44/1126445644.db2.gz YCMAAFASNSQXOQ-NWDGAFQWSA-N -1 3 325.413 -0.091 20 0 EBADHM C[C@H](CN1CC[C@@H]1CNC(=O)c1cnc[n-]c1=O)CS(C)(=O)=O ZINC001483657629 1126453432 /nfs/dbraw/zinc/45/34/32/1126453432.db2.gz BGKVVFRICPEOGU-GHMZBOCLSA-N -1 3 342.421 -0.333 20 0 EBADHM CC[C@H](CN1CC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)OC ZINC001483663015 1126454806 /nfs/dbraw/zinc/45/48/06/1126454806.db2.gz QKWSMSLZSFPAKR-WDEREUQCSA-N -1 3 339.396 -0.169 20 0 EBADHM CC[C@H](CN1CC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)OC ZINC001483663012 1126454835 /nfs/dbraw/zinc/45/48/35/1126454835.db2.gz QKWSMSLZSFPAKR-GHMZBOCLSA-N -1 3 339.396 -0.169 20 0 EBADHM CC(C)[C@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001409893017 1126470197 /nfs/dbraw/zinc/47/01/97/1126470197.db2.gz SUESRPBHFIGETB-MEDUHNTESA-N -1 3 349.391 -0.421 20 0 EBADHM Cn1[n-]c(CNC2(CNC(=O)c3cc(C(F)F)n[nH]3)CC2)nc1=O ZINC001483767818 1126474490 /nfs/dbraw/zinc/47/44/90/1126474490.db2.gz CYHPMVMRQKLBEK-UHFFFAOYSA-N -1 3 341.322 -0.179 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](NC(=O)c1ncn(C)n1)C(C)C ZINC001409911896 1126480895 /nfs/dbraw/zinc/48/08/95/1126480895.db2.gz ROMQAEWCEVJHNB-SNVBAGLBSA-N -1 3 347.379 -0.196 20 0 EBADHM C[C@]1(CNCc2n[nH]c(=O)[n-]2)CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001484109586 1126507205 /nfs/dbraw/zinc/50/72/05/1126507205.db2.gz WRCRFEJEOSGDHR-CQSZACIVSA-N -1 3 333.352 -0.764 20 0 EBADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](C)C1CN([C@H](C)C(N)=O)C1 ZINC001409913588 1126505682 /nfs/dbraw/zinc/50/56/82/1126505682.db2.gz MDWNNNHKBNYNMR-MWLCHTKSSA-N -1 3 335.408 -0.266 20 0 EBADHM 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ZWEQJEXWLWUQTF-VIFPVBQESA-N -1 3 326.353 -0.008 20 0 EBADHM NC(=O)Cn1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)nn1 ZINC001363915693 1132128459 /nfs/dbraw/zinc/12/84/59/1132128459.db2.gz ZHMPNXZIUQYTPH-UHFFFAOYSA-N -1 3 344.375 -0.573 20 0 EBADHM CC1(C)C[C@](C)([N-]S(=O)(=O)CCCS(C)(=O)=O)C(=O)O1 ZINC001363916136 1132128706 /nfs/dbraw/zinc/12/87/06/1132128706.db2.gz AMSHAGJCPYSEAY-NSHDSACASA-N -1 3 327.424 -0.175 20 0 EBADHM COCCn1cc(C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)cn1 ZINC001363961535 1132144189 /nfs/dbraw/zinc/14/41/89/1132144189.db2.gz DBMIVQUKQJUPKJ-HXUWFJFHSA-N -1 3 339.443 -0.562 20 0 EBADHM COC(=O)C1(S(=O)(=O)[N-]C[C@H]2COC3(CCOCC3)O2)CCC1 ZINC001363981281 1132152362 /nfs/dbraw/zinc/15/23/62/1132152362.db2.gz XNSNRXVXUKRRCB-NSHDSACASA-N -1 3 349.405 -0.076 20 0 EBADHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC001363996548 1132159042 /nfs/dbraw/zinc/15/90/42/1132159042.db2.gz JFKCJKOEPXODND-QWHCGFSZSA-N -1 3 349.430 -0.077 20 0 EBADHM Cn1cnnc1[C@@H](CO)[N-]S(=O)(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001364043634 1132180530 /nfs/dbraw/zinc/18/05/30/1132180530.db2.gz HVLLZNBFVMCMGM-WDEREUQCSA-N -1 3 330.410 -0.130 20 0 EBADHM Cc1nc(C[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)sc1C(N)=O ZINC001364048299 1132182991 /nfs/dbraw/zinc/18/29/91/1132182991.db2.gz UTIFHMYGUHILKG-ZETCQYMHSA-N -1 3 334.423 -0.553 20 0 EBADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)C2)n1 ZINC001364059577 1132189475 /nfs/dbraw/zinc/18/94/75/1132189475.db2.gz RTYQKMXIKOBYRE-SNVBAGLBSA-N -1 3 330.348 -0.074 20 0 EBADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](O)CS(C)(=O)=O ZINC001364062335 1132191412 /nfs/dbraw/zinc/19/14/12/1132191412.db2.gz SIAJQDMJNKTFDP-SSDOTTSWSA-N -1 3 345.830 -0.934 20 0 EBADHM COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)N1CCCC[C@H]1C ZINC001364177104 1132226754 /nfs/dbraw/zinc/22/67/54/1132226754.db2.gz JKXWNMUWITUXSO-MNOVXSKESA-N -1 3 336.410 0.000 20 0 EBADHM NC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1COC[C@H]1O)c1ccc(Cl)cc1 ZINC001364186504 1132229868 /nfs/dbraw/zinc/22/98/68/1132229868.db2.gz QTBIQUCTFBFCKT-GMTAPVOTSA-N -1 3 334.781 -0.455 20 0 EBADHM C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1nc(C(F)(F)F)n[n-]1 ZINC001364313104 1132271980 /nfs/dbraw/zinc/27/19/80/1132271980.db2.gz RALUNBVFQVABCJ-UHNVWZDZSA-N -1 3 327.288 -0.308 20 0 EBADHM C[C@@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)c1nc(C(F)(F)F)n[n-]1 ZINC001364314356 1132272983 /nfs/dbraw/zinc/27/29/83/1132272983.db2.gz YFAWLOOXNHWJKE-RXMQYKEDSA-N -1 3 346.269 -0.288 20 0 EBADHM NS(=O)(=O)CC1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001364384353 1132300427 /nfs/dbraw/zinc/30/04/27/1132300427.db2.gz XYBDZJJJJGEZSV-UHFFFAOYSA-N -1 3 342.421 -0.245 20 0 EBADHM Cn1cnnc1S(=O)(=O)[N-]Cc1ccc(S(C)(=O)=O)cc1 ZINC001364786725 1132426194 /nfs/dbraw/zinc/42/61/94/1132426194.db2.gz UIRJMEZNHXWSCC-UHFFFAOYSA-N -1 3 330.391 -0.303 20 0 EBADHM NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)Cc2noc(C3CC3)n2)O1 ZINC001364798931 1132431479 /nfs/dbraw/zinc/43/14/79/1132431479.db2.gz ZUAKXICQPMXEHJ-RKDXNWHRSA-N -1 3 330.366 -0.601 20 0 EBADHM CCOC(=O)C1(S(=O)(=O)[N-]Cc2nnc3n2CCOC3)CCC1 ZINC001364823980 1132441485 /nfs/dbraw/zinc/44/14/85/1132441485.db2.gz BGOGQPOAGVGYMX-UHFFFAOYSA-N -1 3 344.393 -0.287 20 0 EBADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]C[C@H](C)S(C)(=O)=O ZINC001364830213 1132445950 /nfs/dbraw/zinc/44/59/50/1132445950.db2.gz NIYJGXIQDNFVDF-QMMMGPOBSA-N -1 3 332.407 -0.251 20 0 EBADHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC001364832639 1132446683 /nfs/dbraw/zinc/44/66/83/1132446683.db2.gz MLFRNVSFLNRBCO-SNVBAGLBSA-N -1 3 341.393 -0.959 20 0 EBADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@]1(OC)CCOC1 ZINC001364835105 1132447482 /nfs/dbraw/zinc/44/74/82/1132447482.db2.gz DRRJEDXPNCBTLB-GFCCVEGCSA-N -1 3 333.366 -0.411 20 0 EBADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)[C@@H]1COC[C@H]1O)c1cccnc1 ZINC001364850660 1132453890 /nfs/dbraw/zinc/45/38/90/1132453890.db2.gz JIRLKTIECSRDEL-JHJVBQTASA-N -1 3 330.406 -0.180 20 0 EBADHM O=C(CCS(=O)(=O)[N-][C@@H]1COC[C@@H]1O)OCc1ccccc1 ZINC001364918368 1132485250 /nfs/dbraw/zinc/48/52/50/1132485250.db2.gz GFRGELYPHFAPTL-OLZOCXBDSA-N -1 3 329.374 -0.201 20 0 EBADHM C[C@H]1CS(=O)(=O)CCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001364919447 1132485329 /nfs/dbraw/zinc/48/53/29/1132485329.db2.gz MPJMFLJCPBBDMI-VIFPVBQESA-N -1 3 336.377 -0.089 20 0 EBADHM C[C@H]1CS(=O)(=O)CCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001364919447 1132485332 /nfs/dbraw/zinc/48/53/32/1132485332.db2.gz MPJMFLJCPBBDMI-VIFPVBQESA-N -1 3 336.377 -0.089 20 0 EBADHM Cc1nc(S(=O)(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1C ZINC001364928091 1132489373 /nfs/dbraw/zinc/48/93/73/1132489373.db2.gz OWNDIZFTBOHWHH-UHFFFAOYSA-N -1 3 339.377 -0.225 20 0 EBADHM COC(=O)C1(S(=O)(=O)[N-]C[C@@]23COC(=O)N2CCOC3)CCC1 ZINC001364934757 1132492798 /nfs/dbraw/zinc/49/27/98/1132492798.db2.gz YNCKXSGBOKRRNC-GFCCVEGCSA-N -1 3 348.377 -0.777 20 0 EBADHM C[C@H](NC(=O)CN1CCN(C)C(=O)C1)c1nc(C(F)(F)F)n[n-]1 ZINC001365028907 1132522961 /nfs/dbraw/zinc/52/29/61/1132522961.db2.gz SLBHQZABSIHMAJ-ZETCQYMHSA-N -1 3 334.302 -0.225 20 0 EBADHM O=C(CNC(=O)c1ccc([O-])cc1)NCCS(=O)(=O)C1CC1 ZINC001365196917 1132576398 /nfs/dbraw/zinc/57/63/98/1132576398.db2.gz AAIVIHZKKYPRPQ-UHFFFAOYSA-N -1 3 326.374 -0.185 20 0 EBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC001365212858 1132580461 /nfs/dbraw/zinc/58/04/61/1132580461.db2.gz FNLWJZWUPZRIPP-PHIMTYICSA-N -1 3 329.378 -0.325 20 0 EBADHM CC[C@@H]1CN(Cc2cc(=O)n3nc(N)[n-]c3n2)C[C@@H](C)S1(=O)=O ZINC001365298102 1132610173 /nfs/dbraw/zinc/61/01/73/1132610173.db2.gz DWZZBUKPLVJVPS-PSASIEDQSA-N -1 3 340.409 -0.603 20 0 EBADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001365382051 1132643715 /nfs/dbraw/zinc/64/37/15/1132643715.db2.gz YLHLHODKWQMPRD-RNFRBKRXSA-N -1 3 348.285 -0.378 20 0 EBADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]C[C@]1(O)CCO[C@H]1C ZINC001365404835 1132653998 /nfs/dbraw/zinc/65/39/98/1132653998.db2.gz JROOWPBAFUGZEO-GXFFZTMASA-N -1 3 326.378 -0.144 20 0 EBADHM CN1CC[C@@H](CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC001365415678 1132659701 /nfs/dbraw/zinc/65/97/01/1132659701.db2.gz OBFIKDYDSASBNW-QMMMGPOBSA-N -1 3 339.377 -0.334 20 0 EBADHM CNC(=O)c1ccc(CS(=O)(=O)[N-][C@H]2COC[C@H]2OC)cc1 ZINC001365416435 1132659987 /nfs/dbraw/zinc/65/99/87/1132659987.db2.gz RZCHVSMUPUHZEU-QWHCGFSZSA-N -1 3 328.390 -0.121 20 0 EBADHM Cc1cc(=O)[n-]c(N2CCC(NS(=O)(=O)C3COC3)CC2)n1 ZINC001365467598 1132697070 /nfs/dbraw/zinc/69/70/70/1132697070.db2.gz UXGRPFZYZIYTKG-UHFFFAOYSA-N -1 3 328.394 -0.222 20 0 EBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC001365537349 1132713114 /nfs/dbraw/zinc/71/31/14/1132713114.db2.gz FMKFRRAIXRDCAQ-ZETCQYMHSA-N -1 3 344.397 -0.406 20 0 EBADHM CS(=O)(=O)C[C@@H](O)CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001365581648 1132727897 /nfs/dbraw/zinc/72/78/97/1132727897.db2.gz RXSSCLRPZVLQHD-YFKPBYRVSA-N -1 3 345.303 -0.972 20 0 EBADHM C[C@H](O)[C@H]1CN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCO1 ZINC001365676965 1132759210 /nfs/dbraw/zinc/75/92/10/1132759210.db2.gz PLPSYOWHBGLNKB-QJPTWQEYSA-N -1 3 337.380 -0.448 20 0 EBADHM COC(=O)C1([N-]S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCC1 ZINC001365683043 1132761817 /nfs/dbraw/zinc/76/18/17/1132761817.db2.gz KSHIOQMKWGGTNP-JTQLQIEISA-N -1 3 339.435 -0.174 20 0 EBADHM CS(=O)(=O)C[C@H]([N-]S(=O)(=O)[C@@H]1COC[C@H]1O)c1ccccc1 ZINC001365683390 1132762145 /nfs/dbraw/zinc/76/21/45/1132762145.db2.gz VNISBYUVJFWOBK-YNEHKIRRSA-N -1 3 349.430 -0.549 20 0 EBADHM Cc1nc(CS(=O)(=O)[N-]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)no1 ZINC001365690457 1132763926 /nfs/dbraw/zinc/76/39/26/1132763926.db2.gz VYRUHFGELYNETN-VHSXEESVSA-N -1 3 332.382 -0.567 20 0 EBADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H](CO)[C@@H]1CCOC1 ZINC001365691735 1132764957 /nfs/dbraw/zinc/76/49/57/1132764957.db2.gz YONAMJVHBBECGZ-MNOVXSKESA-N -1 3 326.378 -0.287 20 0 EBADHM Cc1cc(N2CCC([N-]S(=O)(=O)c3nncn3C)CC2)n[nH]1 ZINC001365700960 1132767123 /nfs/dbraw/zinc/76/71/23/1132767123.db2.gz AVYIUUCNMVTADA-UHFFFAOYSA-N -1 3 325.398 -0.206 20 0 EBADHM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1nnc2n1CCCC2 ZINC001365704232 1132768518 /nfs/dbraw/zinc/76/85/18/1132768518.db2.gz GBQFECDXPCXTSO-FQEVSTJZSA-N -1 3 336.443 -0.477 20 0 EBADHM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@@H](C(N)=O)c1ccccn1 ZINC001365708378 1132770405 /nfs/dbraw/zinc/77/04/05/1132770405.db2.gz NZSMILUYNHDKHC-SNVBAGLBSA-N -1 3 329.378 -0.273 20 0 EBADHM CO[C@H](CS(=O)(=O)N1CCc2c(=O)[n-]cnc2C1)[C@H]1CCOC1 ZINC001365718034 1132774397 /nfs/dbraw/zinc/77/43/97/1132774397.db2.gz KEEMNQAZGDIUIN-GXFFZTMASA-N -1 3 343.405 -0.078 20 0 EBADHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC001365720594 1132775839 /nfs/dbraw/zinc/77/58/39/1132775839.db2.gz VEWOKVTXSVBHDJ-FIQHERPVSA-N -1 3 337.394 -0.712 20 0 EBADHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC001365720595 1132776052 /nfs/dbraw/zinc/77/60/52/1132776052.db2.gz VEWOKVTXSVBHDJ-NNYUYHANSA-N -1 3 337.394 -0.712 20 0 EBADHM COC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cnc(C)s1 ZINC001365724366 1132777203 /nfs/dbraw/zinc/77/72/03/1132777203.db2.gz FYYWLKUSMAFVOP-BQBZGAKWSA-N 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CC(=O)N[C@H](C)C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001573483392 946208494 /nfs/dbraw/zinc/20/84/94/946208494.db2.gz FSXVFARCFKCGQT-SECBINFHSA-N -1 3 332.368 -0.661 20 0 EBADHM CC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573487264 946248179 /nfs/dbraw/zinc/24/81/79/946248179.db2.gz LDBXCRVGZBDCKB-UFBFGSQYSA-N -1 3 333.352 -0.440 20 0 EBADHM CC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573487264 946248187 /nfs/dbraw/zinc/24/81/87/946248187.db2.gz LDBXCRVGZBDCKB-UFBFGSQYSA-N -1 3 333.352 -0.440 20 0 EBADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573487884 946262788 /nfs/dbraw/zinc/26/27/88/946262788.db2.gz VGIKDTQDMNCWNP-KPXOXKRLSA-N -1 3 344.379 -0.155 20 0 EBADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573487884 946262793 /nfs/dbraw/zinc/26/27/93/946262793.db2.gz VGIKDTQDMNCWNP-KPXOXKRLSA-N -1 3 344.379 -0.155 20 0 EBADHM CC(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573492485 946291661 /nfs/dbraw/zinc/29/16/61/946291661.db2.gz DHQLCZKLPPCFBM-CQSZACIVSA-N -1 3 333.352 -0.702 20 0 EBADHM CC(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573492485 946291666 /nfs/dbraw/zinc/29/16/66/946291666.db2.gz DHQLCZKLPPCFBM-CQSZACIVSA-N -1 3 333.352 -0.702 20 0 EBADHM CC(=O)NCC(=O)N(C)C[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573500969 946377777 /nfs/dbraw/zinc/37/77/77/946377777.db2.gz MBSYNDIFFNJTGX-SNVBAGLBSA-N -1 3 346.395 -0.035 20 0 EBADHM CC(=O)NCC(=O)N(C)C[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573500969 946377785 /nfs/dbraw/zinc/37/77/85/946377785.db2.gz MBSYNDIFFNJTGX-SNVBAGLBSA-N -1 3 346.395 -0.035 20 0 EBADHM CC(=O)NCC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573501408 946379971 /nfs/dbraw/zinc/37/99/71/946379971.db2.gz OIKXIKMPXZAOJA-VIFPVBQESA-N -1 3 346.395 -0.035 20 0 EBADHM CC(=O)NCC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573501408 946379984 /nfs/dbraw/zinc/37/99/84/946379984.db2.gz OIKXIKMPXZAOJA-VIFPVBQESA-N -1 3 346.395 -0.035 20 0 EBADHM CC(=O)NCC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573501407 946380361 /nfs/dbraw/zinc/38/03/61/946380361.db2.gz OIKXIKMPXZAOJA-SECBINFHSA-N -1 3 346.395 -0.035 20 0 EBADHM CC(=O)NCC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573501407 946380375 /nfs/dbraw/zinc/38/03/75/946380375.db2.gz OIKXIKMPXZAOJA-SECBINFHSA-N -1 3 346.395 -0.035 20 0 EBADHM CC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573510307 946475269 /nfs/dbraw/zinc/47/52/69/946475269.db2.gz DUTUCQOGNUOGES-IUCAKERBSA-N -1 3 332.368 -0.297 20 0 EBADHM CC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573510307 946475274 /nfs/dbraw/zinc/47/52/74/946475274.db2.gz DUTUCQOGNUOGES-IUCAKERBSA-N -1 3 332.368 -0.297 20 0 EBADHM CC(=O)NCC(=O)N[C@]1(C)CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573513944 946518139 /nfs/dbraw/zinc/51/81/39/946518139.db2.gz RNVPQGYVIKYIOT-OAHLLOKOSA-N -1 3 344.379 -0.517 20 0 EBADHM CC(=O)NCC(=O)N[C@]1(C)CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573513944 946518143 /nfs/dbraw/zinc/51/81/43/946518143.db2.gz RNVPQGYVIKYIOT-OAHLLOKOSA-N -1 3 344.379 -0.517 20 0 EBADHM CC(=O)NCC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573516418 946562625 /nfs/dbraw/zinc/56/26/25/946562625.db2.gz ZCFMAEMSKDPEHH-UHFFFAOYSA-N -1 3 347.354 -0.558 20 0 EBADHM CC(=O)NCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573516418 946562633 /nfs/dbraw/zinc/56/26/33/946562633.db2.gz ZCFMAEMSKDPEHH-UHFFFAOYSA-N -1 3 347.354 -0.558 20 0 EBADHM CC(=O)NCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001573518052 946586788 /nfs/dbraw/zinc/58/67/88/946586788.db2.gz WTNXCJQPJFNOGL-UHFFFAOYSA-N -1 3 344.379 -0.151 20 0 EBADHM CC(=O)NCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001573518052 946586797 /nfs/dbraw/zinc/58/67/97/946586797.db2.gz WTNXCJQPJFNOGL-UHFFFAOYSA-N -1 3 344.379 -0.151 20 0 EBADHM CC(=O)NCC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573518132 946587598 /nfs/dbraw/zinc/58/75/98/946587598.db2.gz YDCOLNSIHHZJOP-CYBMUJFWSA-N -1 3 344.379 -0.296 20 0 EBADHM CC(=O)NCC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573518132 946587607 /nfs/dbraw/zinc/58/76/07/946587607.db2.gz YDCOLNSIHHZJOP-CYBMUJFWSA-N -1 3 344.379 -0.296 20 0 EBADHM CC(=O)NCC(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573520272 946594801 /nfs/dbraw/zinc/59/48/01/946594801.db2.gz GQJYNBZXXJUJGL-UHFFFAOYSA-N -1 3 349.370 -0.310 20 0 EBADHM CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573521689 946608688 /nfs/dbraw/zinc/60/86/88/946608688.db2.gz AJRQHZPCEMZKDY-PHIMTYICSA-N -1 3 330.352 -0.543 20 0 EBADHM CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573521689 946608696 /nfs/dbraw/zinc/60/86/96/946608696.db2.gz AJRQHZPCEMZKDY-PHIMTYICSA-N -1 3 330.352 -0.543 20 0 EBADHM CC(=O)NCC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001573521837 946613271 /nfs/dbraw/zinc/61/32/71/946613271.db2.gz JVGQZVKVXCFWNR-BXKDBHETSA-N -1 3 344.379 -0.661 20 0 EBADHM CC(=O)NCC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001573521837 946613282 /nfs/dbraw/zinc/61/32/82/946613282.db2.gz JVGQZVKVXCFWNR-BXKDBHETSA-N -1 3 344.379 -0.661 20 0 EBADHM CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001573530800 946703123 /nfs/dbraw/zinc/70/31/23/946703123.db2.gz ZAJDQPJUDIPBNT-UHFFFAOYSA-N -1 3 333.352 -0.390 20 0 EBADHM CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001573530800 946703134 /nfs/dbraw/zinc/70/31/34/946703134.db2.gz ZAJDQPJUDIPBNT-UHFFFAOYSA-N -1 3 333.352 -0.390 20 0 EBADHM CC(=O)N[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)C(N)=O ZINC001573537935 946760681 /nfs/dbraw/zinc/76/06/81/946760681.db2.gz NIWDSQHVSNWITR-NSHDSACASA-N -1 3 349.326 -0.998 20 0 EBADHM CC(=O)N[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)C(N)=O ZINC001573537935 946760688 /nfs/dbraw/zinc/76/06/88/946760688.db2.gz NIWDSQHVSNWITR-NSHDSACASA-N -1 3 349.326 -0.998 20 0 EBADHM C[C@@H](C(=O)N(C)C)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573594544 947398114 /nfs/dbraw/zinc/39/81/14/947398114.db2.gz PYVSVTTVPNCGGI-JTQLQIEISA-N -1 3 346.395 -0.571 20 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ZINC001570945852 949504044 /nfs/dbraw/zinc/50/40/44/949504044.db2.gz JQJNCGLUCMFLHG-VXGBXAGGSA-N -1 3 344.379 -0.641 20 0 EBADHM NC(=O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001570945852 949504058 /nfs/dbraw/zinc/50/40/58/949504058.db2.gz JQJNCGLUCMFLHG-VXGBXAGGSA-N -1 3 344.379 -0.641 20 0 EBADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574949795 949510152 /nfs/dbraw/zinc/51/01/52/949510152.db2.gz DJWOKMYDSMGYHQ-SKDRFNHKSA-N -1 3 344.379 -0.519 20 0 EBADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574949795 949510169 /nfs/dbraw/zinc/51/01/69/949510169.db2.gz DJWOKMYDSMGYHQ-SKDRFNHKSA-N -1 3 344.379 -0.519 20 0 EBADHM CN1CC[C@@H](N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1=O ZINC001570945901 949511001 /nfs/dbraw/zinc/51/10/01/949511001.db2.gz KMZAOSIWYPAZOM-ZYHUDNBSSA-N -1 3 344.379 -0.770 20 0 EBADHM CN1CC[C@@H](N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1=O ZINC001570945901 949511024 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20 0 EBADHM C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711849 949562516 /nfs/dbraw/zinc/56/25/16/949562516.db2.gz NERFHXDKBPFQOG-PSASIEDQSA-N -1 3 346.351 -0.371 20 0 EBADHM C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574712708 949585038 /nfs/dbraw/zinc/58/50/38/949585038.db2.gz TVRJODJMRJSJKK-GZMMTYOYSA-N -1 3 345.367 -0.798 20 0 EBADHM C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574712708 949585052 /nfs/dbraw/zinc/58/50/52/949585052.db2.gz TVRJODJMRJSJKK-GZMMTYOYSA-N -1 3 345.367 -0.798 20 0 EBADHM COc1ccc(NC(=O)[C@H](CO)NC(=O)C(C)C)cc1-c1nnn[n-]1 ZINC001570948778 949615645 /nfs/dbraw/zinc/61/56/45/949615645.db2.gz IECPWVAPENBKSZ-NSHDSACASA-N -1 3 348.363 -0.053 20 0 EBADHM COc1ccc(NC(=O)[C@H](CO)NC(=O)C(C)C)cc1-c1nn[n-]n1 ZINC001570948778 949615660 /nfs/dbraw/zinc/61/56/60/949615660.db2.gz IECPWVAPENBKSZ-NSHDSACASA-N -1 3 348.363 -0.053 20 0 EBADHM C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1ncccc1-c1nnn[n-]1 ZINC001574714048 949619856 /nfs/dbraw/zinc/61/98/56/949619856.db2.gz ZWCPLUCFQGOGKD-SCZZXKLOSA-N -1 3 346.351 -0.371 20 0 EBADHM C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1ncccc1-c1nn[n-]n1 ZINC001574714048 949619869 /nfs/dbraw/zinc/61/98/69/949619869.db2.gz ZWCPLUCFQGOGKD-SCZZXKLOSA-N -1 3 346.351 -0.371 20 0 EBADHM C[C@@H](CNC(=O)[C@H](C)NC(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574958124 949653360 /nfs/dbraw/zinc/65/33/60/949653360.db2.gz LFSFXLWPRWLRSU-YUMQZZPRSA-N -1 3 333.356 -0.765 20 0 EBADHM C[C@@H](CNC(=O)[C@H](C)NC(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574958124 949653372 /nfs/dbraw/zinc/65/33/72/949653372.db2.gz LFSFXLWPRWLRSU-YUMQZZPRSA-N -1 3 333.356 -0.765 20 0 EBADHM C[C@@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575273586 949670022 /nfs/dbraw/zinc/67/00/22/949670022.db2.gz WYJHZKLHYKEJRP-RKDXNWHRSA-N -1 3 347.383 -0.375 20 0 EBADHM C[C@@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575273586 949670031 /nfs/dbraw/zinc/67/00/31/949670031.db2.gz WYJHZKLHYKEJRP-RKDXNWHRSA-N -1 3 347.383 -0.375 20 0 EBADHM COCC(COC)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001570950478 949683171 /nfs/dbraw/zinc/68/31/71/949683171.db2.gz ISOJUNYARZTPQI-UHFFFAOYSA-N -1 3 349.395 -0.386 20 0 EBADHM COCC(COC)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001570950478 949683189 /nfs/dbraw/zinc/68/31/89/949683189.db2.gz ISOJUNYARZTPQI-UHFFFAOYSA-N -1 3 349.395 -0.386 20 0 EBADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575558462 949738705 /nfs/dbraw/zinc/73/87/05/949738705.db2.gz PVGYGQQGPMLSKX-VIFPVBQESA-N -1 3 333.352 -0.798 20 0 EBADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575558462 949738720 /nfs/dbraw/zinc/73/87/20/949738720.db2.gz PVGYGQQGPMLSKX-VIFPVBQESA-N -1 3 333.352 -0.798 20 0 EBADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574964359 949774581 /nfs/dbraw/zinc/77/45/81/949774581.db2.gz UUGNPCJDHODUJQ-MWLCHTKSSA-N -1 3 344.379 -0.153 20 0 EBADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574964359 949774591 /nfs/dbraw/zinc/77/45/91/949774591.db2.gz UUGNPCJDHODUJQ-MWLCHTKSSA-N -1 3 344.379 -0.153 20 0 EBADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1CC(N)=O ZINC001575882487 949778992 /nfs/dbraw/zinc/77/89/92/949778992.db2.gz LTTFMFBXHSGQQN-WPRPVWTQSA-N -1 3 332.368 -0.737 20 0 EBADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1CC(N)=O ZINC001575882487 949779006 /nfs/dbraw/zinc/77/90/06/949779006.db2.gz LTTFMFBXHSGQQN-WPRPVWTQSA-N -1 3 332.368 -0.737 20 0 EBADHM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574965292 949795614 /nfs/dbraw/zinc/79/56/14/949795614.db2.gz FNUSALUYAXUIFB-QNSHHTMESA-N -1 3 330.352 -0.700 20 0 EBADHM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574965292 949795624 /nfs/dbraw/zinc/79/56/24/949795624.db2.gz FNUSALUYAXUIFB-QNSHHTMESA-N -1 3 330.352 -0.700 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1ccon1 ZINC001574966645 949853204 /nfs/dbraw/zinc/85/32/04/949853204.db2.gz AXUBSYQQUHATIE-MRVPVSSYSA-N -1 3 344.335 -0.021 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1ccon1 ZINC001574966645 949853223 /nfs/dbraw/zinc/85/32/23/949853223.db2.gz AXUBSYQQUHATIE-MRVPVSSYSA-N -1 3 344.335 -0.021 20 0 EBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC001575572311 949974196 /nfs/dbraw/zinc/97/41/96/949974196.db2.gz FMALQQHDVDIDJM-SECBINFHSA-N -1 3 347.379 -0.408 20 0 EBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001575572311 949974214 /nfs/dbraw/zinc/97/42/14/949974214.db2.gz FMALQQHDVDIDJM-SECBINFHSA-N -1 3 347.379 -0.408 20 0 EBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC001575572868 949985339 /nfs/dbraw/zinc/98/53/39/949985339.db2.gz IPYSIZRPCBBCGU-SNVBAGLBSA-N -1 3 347.379 -0.408 20 0 EBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001575572868 949985357 /nfs/dbraw/zinc/98/53/57/949985357.db2.gz IPYSIZRPCBBCGU-SNVBAGLBSA-N -1 3 347.379 -0.408 20 0 EBADHM C[C@H](CN(C)C(=O)Cc1cnc[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574728571 949994243 /nfs/dbraw/zinc/99/42/43/949994243.db2.gz DJEBSQDXGSBFNK-SECBINFHSA-N -1 3 342.367 -0.119 20 0 EBADHM C[C@H](CN(C)C(=O)Cc1cnc[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574728571 949994259 /nfs/dbraw/zinc/99/42/59/949994259.db2.gz DJEBSQDXGSBFNK-SECBINFHSA-N -1 3 342.367 -0.119 20 0 EBADHM C[C@@]1(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)CCOC1 ZINC001575574564 950021173 /nfs/dbraw/zinc/02/11/73/950021173.db2.gz WVLQDIILULTKEV-IAQYHMDHSA-N -1 3 347.379 -0.423 20 0 EBADHM C[C@@]1(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)CCOC1 ZINC001575574564 950021196 /nfs/dbraw/zinc/02/11/96/950021196.db2.gz WVLQDIILULTKEV-IAQYHMDHSA-N -1 3 347.379 -0.423 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cnon1 ZINC001574975706 950042273 /nfs/dbraw/zinc/04/22/73/950042273.db2.gz YSWLWRNASVBDMP-SSDOTTSWSA-N -1 3 345.323 -0.532 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cnon1 ZINC001574975706 950042293 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583797894 /nfs/dbraw/zinc/79/78/94/583797894.db2.gz HIFUCTWQRMZCKG-UHFFFAOYSA-N -1 3 329.364 -0.107 20 0 EBADHM CNC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821633099 583797950 /nfs/dbraw/zinc/79/79/50/583797950.db2.gz YHJFZCDFUAGYEQ-UHFFFAOYSA-N -1 3 335.299 -0.803 20 0 EBADHM CNC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821633099 583797953 /nfs/dbraw/zinc/79/79/53/583797953.db2.gz YHJFZCDFUAGYEQ-UHFFFAOYSA-N -1 3 335.299 -0.803 20 0 EBADHM CNC(=O)N1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821633851 583797958 /nfs/dbraw/zinc/79/79/58/583797958.db2.gz HDFSJJNWBKCLLZ-UHFFFAOYSA-N -1 3 344.379 -0.238 20 0 EBADHM CNC(=O)N1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821633851 583797961 /nfs/dbraw/zinc/79/79/61/583797961.db2.gz HDFSJJNWBKCLLZ-UHFFFAOYSA-N -1 3 344.379 -0.238 20 0 EBADHM CNC(=O)CCCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821633086 583798192 /nfs/dbraw/zinc/79/81/92/583798192.db2.gz XVUFVIPEDIGWCP-UHFFFAOYSA-N -1 3 345.363 -0.244 20 0 EBADHM CNC(=O)CCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821633086 583798194 /nfs/dbraw/zinc/79/81/94/583798194.db2.gz XVUFVIPEDIGWCP-UHFFFAOYSA-N -1 3 345.363 -0.244 20 0 EBADHM COC(=O)[C@H](N[C@@H]1CCN(C)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821642048 583798434 /nfs/dbraw/zinc/79/84/34/583798434.db2.gz CQTCXYIWXCTRID-VXGBXAGGSA-N -1 3 330.348 -0.099 20 0 EBADHM COC(=O)[C@H](N[C@@H]1CCN(C)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821642048 583798436 /nfs/dbraw/zinc/79/84/36/583798436.db2.gz CQTCXYIWXCTRID-VXGBXAGGSA-N -1 3 330.348 -0.099 20 0 EBADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(C)C(=O)C1 ZINC000821652683 583799028 /nfs/dbraw/zinc/79/90/28/583799028.db2.gz XVYFRRITUNZCOY-CYBMUJFWSA-N -1 3 330.348 -0.145 20 0 EBADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(C)C(=O)C1 ZINC000821652683 583799029 /nfs/dbraw/zinc/79/90/29/583799029.db2.gz XVYFRRITUNZCOY-CYBMUJFWSA-N -1 3 330.348 -0.145 20 0 EBADHM COC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821657886 583799171 /nfs/dbraw/zinc/79/91/71/583799171.db2.gz YEVNLQYOJNJJPF-LBPRGKRZSA-N -1 3 346.347 -0.321 20 0 EBADHM COC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821657886 583799172 /nfs/dbraw/zinc/79/91/72/583799172.db2.gz YEVNLQYOJNJJPF-LBPRGKRZSA-N -1 3 346.347 -0.321 20 0 EBADHM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821662665 583800131 /nfs/dbraw/zinc/80/01/31/583800131.db2.gz MOPPZVNWXLKBBS-SSDOTTSWSA-N -1 3 336.308 -0.960 20 0 EBADHM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821662665 583800133 /nfs/dbraw/zinc/80/01/33/583800133.db2.gz MOPPZVNWXLKBBS-SSDOTTSWSA-N -1 3 336.308 -0.960 20 0 EBADHM O=C([N-]c1nnnn1C1CC1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000821666248 583800432 /nfs/dbraw/zinc/80/04/32/583800432.db2.gz HRDRMBNPWNFFCQ-UHFFFAOYSA-N -1 3 335.349 -0.556 20 0 EBADHM COC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000821680441 583800832 /nfs/dbraw/zinc/80/08/32/583800832.db2.gz JJWIRAYTSUEDOF-CQSZACIVSA-N -1 3 334.336 -0.040 20 0 EBADHM COC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000821680441 583800834 /nfs/dbraw/zinc/80/08/34/583800834.db2.gz JJWIRAYTSUEDOF-CQSZACIVSA-N -1 3 334.336 -0.040 20 0 EBADHM COC[C@@](C)(O)C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821681773 583801233 /nfs/dbraw/zinc/80/12/33/583801233.db2.gz RRANZXQBNUGOPB-OAHLLOKOSA-N -1 3 349.347 -0.577 20 0 EBADHM COC[C@@](C)(O)C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821681773 583801235 /nfs/dbraw/zinc/80/12/35/583801235.db2.gz RRANZXQBNUGOPB-OAHLLOKOSA-N -1 3 349.347 -0.577 20 0 EBADHM COC[C@@H](O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821684354 583801350 /nfs/dbraw/zinc/80/13/50/583801350.db2.gz ZFMRPDQEDSLGAW-QWRGUYRKSA-N -1 3 334.384 -0.826 20 0 EBADHM COC[C@@H](O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821684354 583801352 /nfs/dbraw/zinc/80/13/52/583801352.db2.gz ZFMRPDQEDSLGAW-QWRGUYRKSA-N -1 3 334.384 -0.826 20 0 EBADHM COCCN(C)S(=O)(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821689346 583801597 /nfs/dbraw/zinc/80/15/97/583801597.db2.gz WXZFCNBRVTXVDS-UHFFFAOYSA-N -1 3 344.372 -0.082 20 0 EBADHM COCCN(C)S(=O)(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821689346 583801600 /nfs/dbraw/zinc/80/16/00/583801600.db2.gz WXZFCNBRVTXVDS-UHFFFAOYSA-N -1 3 344.372 -0.082 20 0 EBADHM COCCOC1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821691776 583802079 /nfs/dbraw/zinc/80/20/79/583802079.db2.gz DJJJRPUDJGFNSI-UHFFFAOYSA-N -1 3 339.377 -0.097 20 0 EBADHM COCCOC1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691776 583802080 /nfs/dbraw/zinc/80/20/80/583802080.db2.gz DJJJRPUDJGFNSI-UHFFFAOYSA-N -1 3 339.377 -0.097 20 0 EBADHM COCCNC(=O)CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821691464 583802190 /nfs/dbraw/zinc/80/21/90/583802190.db2.gz VKGNMZISJAISAK-UHFFFAOYSA-N -1 3 340.290 -0.363 20 0 EBADHM COCCNC(=O)CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821691464 583802193 /nfs/dbraw/zinc/80/21/93/583802193.db2.gz VKGNMZISJAISAK-UHFFFAOYSA-N -1 3 340.290 -0.363 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C1CC(=O)NC(=O)C1 ZINC000821736826 583803039 /nfs/dbraw/zinc/80/30/39/583803039.db2.gz OVQMCUDGAGXGSV-UHFFFAOYSA-N -1 3 345.315 -0.029 20 0 EBADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C1CC(=O)NC(=O)C1 ZINC000821736826 583803041 /nfs/dbraw/zinc/80/30/41/583803041.db2.gz OVQMCUDGAGXGSV-UHFFFAOYSA-N -1 3 345.315 -0.029 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)CO ZINC000821757434 583803760 /nfs/dbraw/zinc/80/37/60/583803760.db2.gz XFLPHAADSXTEJT-DTWKUNHWSA-N -1 3 348.363 -0.053 20 0 EBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)CO ZINC000821757434 583803762 /nfs/dbraw/zinc/80/37/62/583803762.db2.gz XFLPHAADSXTEJT-DTWKUNHWSA-N -1 3 348.363 -0.053 20 0 EBADHM COc1ccc(CNCC(=O)N2CCN(C)CC2)cc1-c1nnn[n-]1 ZINC000821809857 583804557 /nfs/dbraw/zinc/80/45/57/583804557.db2.gz SVUPWXAVGYLLIE-UHFFFAOYSA-N -1 3 345.407 -0.261 20 0 EBADHM COc1ccc(CNCC(=O)N2CCN(C)CC2)cc1-c1nn[n-]n1 ZINC000821809857 583804559 /nfs/dbraw/zinc/80/45/59/583804559.db2.gz SVUPWXAVGYLLIE-UHFFFAOYSA-N -1 3 345.407 -0.261 20 0 EBADHM CS(=O)(=O)N1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821931496 583805919 /nfs/dbraw/zinc/80/59/19/583805919.db2.gz DLZYDZRGKUIRHS-UHFFFAOYSA-N -1 3 336.377 -0.416 20 0 EBADHM CS(=O)(=O)N1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821931496 583805922 /nfs/dbraw/zinc/80/59/22/583805922.db2.gz DLZYDZRGKUIRHS-UHFFFAOYSA-N -1 3 336.377 -0.416 20 0 EBADHM CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821931701 583806235 /nfs/dbraw/zinc/80/62/35/583806235.db2.gz GKMBVMJZQOTZAW-UHFFFAOYSA-N -1 3 336.377 -0.416 20 0 EBADHM CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821931701 583806237 /nfs/dbraw/zinc/80/62/37/583806237.db2.gz GKMBVMJZQOTZAW-UHFFFAOYSA-N -1 3 336.377 -0.416 20 0 EBADHM Cc1c(NC(=O)C(=O)NCC(C)(C)C(N)=O)cccc1-c1nnn[n-]1 ZINC000822054454 583807588 /nfs/dbraw/zinc/80/75/88/583807588.db2.gz ZNKHKAMRBQWPDM-UHFFFAOYSA-N -1 3 345.363 -0.259 20 0 EBADHM Cc1c(NC(=O)C(=O)NCC(C)(C)C(N)=O)cccc1-c1nn[n-]n1 ZINC000822054454 583807589 /nfs/dbraw/zinc/80/75/89/583807589.db2.gz ZNKHKAMRBQWPDM-UHFFFAOYSA-N -1 3 345.363 -0.259 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)CC(N)=O ZINC000822216549 583808381 /nfs/dbraw/zinc/80/83/81/583808381.db2.gz RVMUISBSUUDVNK-MRVPVSSYSA-N -1 3 331.336 -0.506 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)CC(N)=O ZINC000822216549 583808384 /nfs/dbraw/zinc/80/83/84/583808384.db2.gz RVMUISBSUUDVNK-MRVPVSSYSA-N -1 3 331.336 -0.506 20 0 EBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)c1-c1nnn[n-]1 ZINC000822309385 583809362 /nfs/dbraw/zinc/80/93/62/583809362.db2.gz WQTPPIXOOVASCI-SECBINFHSA-N -1 3 343.347 -0.553 20 0 EBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)c1-c1nn[n-]n1 ZINC000822309385 583809363 /nfs/dbraw/zinc/80/93/63/583809363.db2.gz WQTPPIXOOVASCI-SECBINFHSA-N -1 3 343.347 -0.553 20 0 EBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](CO)C2)c1-c1nnn[n-]1 ZINC000822308506 583809398 /nfs/dbraw/zinc/80/93/98/583809398.db2.gz FXTNYERAZQTQNH-SNVBAGLBSA-N -1 3 330.348 -0.046 20 0 EBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC000822308506 583809400 /nfs/dbraw/zinc/80/94/00/583809400.db2.gz FXTNYERAZQTQNH-SNVBAGLBSA-N -1 3 330.348 -0.046 20 0 EBADHM Cc1nnc(NCCOCCS(C)(=O)=O)c(-c2nnn[n-]2)c1C ZINC000822516431 583811578 /nfs/dbraw/zinc/81/15/78/583811578.db2.gz ZICVBPMGNXMGFP-UHFFFAOYSA-N -1 3 341.397 -0.253 20 0 EBADHM Cc1nnc(NCCOCCS(C)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000822516431 583811580 /nfs/dbraw/zinc/81/15/80/583811580.db2.gz ZICVBPMGNXMGFP-UHFFFAOYSA-N -1 3 341.397 -0.253 20 0 EBADHM Cc1nnc(N2CC(OCC(=O)N(C)C)C2)c(-c2nnn[n-]2)c1C ZINC000822510111 583811668 /nfs/dbraw/zinc/81/16/68/583811668.db2.gz JKPRJCZSXIKXMC-UHFFFAOYSA-N -1 3 332.368 -0.433 20 0 EBADHM Cc1nnc(N2CC(OCC(=O)N(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000822510111 583811669 /nfs/dbraw/zinc/81/16/69/583811669.db2.gz JKPRJCZSXIKXMC-UHFFFAOYSA-N -1 3 332.368 -0.433 20 0 EBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCCN1C(=O)CCC1=O ZINC000822636921 583815598 /nfs/dbraw/zinc/81/55/98/583815598.db2.gz KRGVZDJNHLWTTQ-UHFFFAOYSA-N -1 3 331.336 -0.526 20 0 EBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCCN1C(=O)CCC1=O ZINC000822636921 583815600 /nfs/dbraw/zinc/81/56/00/583815600.db2.gz KRGVZDJNHLWTTQ-UHFFFAOYSA-N -1 3 331.336 -0.526 20 0 EBADHM Cn1cc(N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2=O)cn1 ZINC000822685327 583816535 /nfs/dbraw/zinc/81/65/35/583816535.db2.gz XKKPZYRKJMMRMJ-UHFFFAOYSA-N -1 3 325.336 -0.152 20 0 EBADHM Cn1cc(N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2=O)cn1 ZINC000822685327 583816538 /nfs/dbraw/zinc/81/65/38/583816538.db2.gz XKKPZYRKJMMRMJ-UHFFFAOYSA-N -1 3 325.336 -0.152 20 0 EBADHM Cn1ccnc1CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822699120 583816643 /nfs/dbraw/zinc/81/66/43/583816643.db2.gz OXHXERNJYHVZQT-UHFFFAOYSA-N -1 3 344.310 -0.006 20 0 EBADHM Cn1ccnc1CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822699120 583816644 /nfs/dbraw/zinc/81/66/44/583816644.db2.gz OXHXERNJYHVZQT-UHFFFAOYSA-N -1 3 344.310 -0.006 20 0 EBADHM Cn1ncc2c1nnn(Cc1ccc(-c3nnn[n-]3)cc1F)c2=O ZINC000822709973 583817059 /nfs/dbraw/zinc/81/70/59/583817059.db2.gz STJICHKCPNUDIF-UHFFFAOYSA-N -1 3 327.283 -0.108 20 0 EBADHM Cn1ncc2c1nnn(Cc1ccc(-c3nn[n-]n3)cc1F)c2=O ZINC000822709973 583817060 /nfs/dbraw/zinc/81/70/60/583817060.db2.gz STJICHKCPNUDIF-UHFFFAOYSA-N -1 3 327.283 -0.108 20 0 EBADHM NC(=O)C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC000822864561 583819713 /nfs/dbraw/zinc/81/97/13/583819713.db2.gz DDVCZXCPJVCIGS-JTQLQIEISA-N -1 3 333.352 -0.405 20 0 EBADHM NC(=O)C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC000822864561 583819715 /nfs/dbraw/zinc/81/97/15/583819715.db2.gz DDVCZXCPJVCIGS-JTQLQIEISA-N -1 3 333.352 -0.405 20 0 EBADHM NC(=O)COc1cccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822869240 583820139 /nfs/dbraw/zinc/82/01/39/583820139.db2.gz RMPGYUUVDNPLAB-UHFFFAOYSA-N -1 3 341.331 -0.011 20 0 EBADHM NC(=O)COc1cccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822869240 583820140 /nfs/dbraw/zinc/82/01/40/583820140.db2.gz RMPGYUUVDNPLAB-UHFFFAOYSA-N -1 3 341.331 -0.011 20 0 EBADHM NC(=O)c1cc(CNC(=O)CNc2ccc(-c3nnn[n-]3)cc2)on1 ZINC000822880570 583820577 /nfs/dbraw/zinc/82/05/77/583820577.db2.gz SFTZHODHQVRDAD-UHFFFAOYSA-N -1 3 342.319 -0.318 20 0 EBADHM NC(=O)c1cc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)on1 ZINC000822880570 583820578 /nfs/dbraw/zinc/82/05/78/583820578.db2.gz SFTZHODHQVRDAD-UHFFFAOYSA-N -1 3 342.319 -0.318 20 0 EBADHM NS(=O)(=O)CCCOC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822894959 583820883 /nfs/dbraw/zinc/82/08/83/583820883.db2.gz IRAJVSUZXAWTFN-UHFFFAOYSA-N -1 3 325.350 -0.369 20 0 EBADHM NS(=O)(=O)CCCOC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822894959 583820885 /nfs/dbraw/zinc/82/08/85/583820885.db2.gz IRAJVSUZXAWTFN-UHFFFAOYSA-N -1 3 325.350 -0.369 20 0 EBADHM NS(=O)(=O)[C@@H]1CCN(CCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822895614 583821368 /nfs/dbraw/zinc/82/13/68/583821368.db2.gz VMWKBVCDFPLBJT-GFCCVEGCSA-N -1 3 338.393 -0.392 20 0 EBADHM NS(=O)(=O)[C@@H]1CCN(CCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822895614 583821370 /nfs/dbraw/zinc/82/13/70/583821370.db2.gz VMWKBVCDFPLBJT-GFCCVEGCSA-N -1 3 338.393 -0.392 20 0 EBADHM O=C(CNc1ccc(-c2nnn[n-]2)cc1)NCc1nnnn1C1CC1 ZINC000823009390 583822757 /nfs/dbraw/zinc/82/27/57/583822757.db2.gz GEXCSUMYFCDWOB-UHFFFAOYSA-N -1 3 340.351 -0.084 20 0 EBADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCc1nnnn1C1CC1 ZINC000823009390 583822760 /nfs/dbraw/zinc/82/27/60/583822760.db2.gz GEXCSUMYFCDWOB-UHFFFAOYSA-N -1 3 340.351 -0.084 20 0 EBADHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCCNC(=O)C1 ZINC000823007201 583822897 /nfs/dbraw/zinc/82/28/97/583822897.db2.gz MBOUGLBYSDZPEM-UHFFFAOYSA-N -1 3 346.318 -0.164 20 0 EBADHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCCNC(=O)C1 ZINC000823007201 583822899 /nfs/dbraw/zinc/82/28/99/583822899.db2.gz MBOUGLBYSDZPEM-UHFFFAOYSA-N -1 3 346.318 -0.164 20 0 EBADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000823043650 583823344 /nfs/dbraw/zinc/82/33/44/583823344.db2.gz DZUJKOJQOYVOFD-LLVKDONJSA-N -1 3 343.347 -0.519 20 0 EBADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000823043650 583823347 /nfs/dbraw/zinc/82/33/47/583823347.db2.gz DZUJKOJQOYVOFD-LLVKDONJSA-N -1 3 343.347 -0.519 20 0 EBADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCN2C(=O)NC[C@H]2C1 ZINC000823043651 583823467 /nfs/dbraw/zinc/82/34/67/583823467.db2.gz DZUJKOJQOYVOFD-NSHDSACASA-N -1 3 343.347 -0.519 20 0 EBADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCN2C(=O)NC[C@H]2C1 ZINC000823043651 583823468 /nfs/dbraw/zinc/82/34/68/583823468.db2.gz DZUJKOJQOYVOFD-NSHDSACASA-N -1 3 343.347 -0.519 20 0 EBADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000823092839 583823983 /nfs/dbraw/zinc/82/39/83/583823983.db2.gz MPZSMNTXATUINX-GFCCVEGCSA-N -1 3 327.348 -0.355 20 0 EBADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000823092839 583823985 /nfs/dbraw/zinc/82/39/85/583823985.db2.gz MPZSMNTXATUINX-GFCCVEGCSA-N -1 3 327.348 -0.355 20 0 EBADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCN1C(=O)CNC1=O ZINC000823111461 583824484 /nfs/dbraw/zinc/82/44/84/583824484.db2.gz JEMJLFMTBBDROI-UHFFFAOYSA-N -1 3 330.304 -0.496 20 0 EBADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCN1C(=O)CNC1=O ZINC000823111461 583824485 /nfs/dbraw/zinc/82/44/85/583824485.db2.gz JEMJLFMTBBDROI-UHFFFAOYSA-N -1 3 330.304 -0.496 20 0 EBADHM O=C(NC1CC1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823145618 583825953 /nfs/dbraw/zinc/82/59/53/583825953.db2.gz SAKBOWJYPXHIAM-UHFFFAOYSA-N -1 3 342.363 -0.811 20 0 EBADHM O=C(NC1CC1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823145618 583825955 /nfs/dbraw/zinc/82/59/55/583825955.db2.gz SAKBOWJYPXHIAM-UHFFFAOYSA-N -1 3 342.363 -0.811 20 0 EBADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCNC1=O ZINC000823332724 583828224 /nfs/dbraw/zinc/82/82/24/583828224.db2.gz PTRDLWFZMFWTRE-JTQLQIEISA-N -1 3 347.310 -0.661 20 0 EBADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCNC1=O ZINC000823332724 583828225 /nfs/dbraw/zinc/82/82/25/583828225.db2.gz PTRDLWFZMFWTRE-JTQLQIEISA-N -1 3 347.310 -0.661 20 0 EBADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(CCO)CCN1CCOCC1 ZINC000823472552 583829877 /nfs/dbraw/zinc/82/98/77/583829877.db2.gz QJJTZXUNXWGFAQ-UHFFFAOYSA-N -1 3 346.391 -0.367 20 0 EBADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(CCO)CCN1CCOCC1 ZINC000823472552 583829878 /nfs/dbraw/zinc/82/98/78/583829878.db2.gz QJJTZXUNXWGFAQ-UHFFFAOYSA-N -1 3 346.391 -0.367 20 0 EBADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCNC(=O)C1 ZINC000823536071 583831282 /nfs/dbraw/zinc/83/12/82/583831282.db2.gz QIZWGAVAIMJRGL-UHFFFAOYSA-N -1 3 349.738 -0.583 20 0 EBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCNC(=O)C1 ZINC000823536071 583831285 /nfs/dbraw/zinc/83/12/85/583831285.db2.gz QIZWGAVAIMJRGL-UHFFFAOYSA-N -1 3 349.738 -0.583 20 0 EBADHM O=C1[C@@H](N2CCCNC(=O)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823536231 583831806 /nfs/dbraw/zinc/83/18/06/583831806.db2.gz XHVFDDIAYZJLMV-JTQLQIEISA-N -1 3 347.404 -0.145 20 0 EBADHM O=C1[C@@H](N2CCCNC(=O)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823536231 583831807 /nfs/dbraw/zinc/83/18/07/583831807.db2.gz XHVFDDIAYZJLMV-JTQLQIEISA-N -1 3 347.404 -0.145 20 0 EBADHM O=C(NCCOc1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)C1 ZINC000823536230 583831838 /nfs/dbraw/zinc/83/18/38/583831838.db2.gz XGYGTWXXYGKWKC-UHFFFAOYSA-N -1 3 331.336 -0.613 20 0 EBADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)C1 ZINC000823536230 583831839 /nfs/dbraw/zinc/83/18/39/583831839.db2.gz XGYGTWXXYGKWKC-UHFFFAOYSA-N -1 3 331.336 -0.613 20 0 EBADHM O=C1NC(=O)N2CCN(CCOc3ccc(-c4nnn[n-]4)cc3)C[C@H]12 ZINC000823541345 583831955 /nfs/dbraw/zinc/83/19/55/583831955.db2.gz PQFMWJZDFJBEHX-GFCCVEGCSA-N -1 3 343.347 -0.519 20 0 EBADHM O=C1NC[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)CCN2C1=O ZINC000823547572 583832367 /nfs/dbraw/zinc/83/23/67/583832367.db2.gz KQKQTYGQPNXMSU-MRVPVSSYSA-N -1 3 348.754 -0.938 20 0 EBADHM O=C1NC[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)CCN2C1=O ZINC000823547572 583832368 /nfs/dbraw/zinc/83/23/68/583832368.db2.gz KQKQTYGQPNXMSU-MRVPVSSYSA-N -1 3 348.754 -0.938 20 0 EBADHM O=C1NC[C@@H]2CN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CCN12 ZINC000823547273 583832476 /nfs/dbraw/zinc/83/24/76/583832476.db2.gz HLSDBGGUCOGKNB-SNVBAGLBSA-N -1 3 326.364 -0.036 20 0 EBADHM O=C1NC[C@@H]2CN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CCN12 ZINC000823547273 583832478 /nfs/dbraw/zinc/83/24/78/583832478.db2.gz HLSDBGGUCOGKNB-SNVBAGLBSA-N -1 3 326.364 -0.036 20 0 EBADHM O=S(=O)(C1CC1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823557052 583833129 /nfs/dbraw/zinc/83/31/29/583833129.db2.gz FNZKSCZNDBESTE-UHFFFAOYSA-N -1 3 335.393 -0.124 20 0 EBADHM O=S(=O)(C1CC1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823557052 583833132 /nfs/dbraw/zinc/83/31/32/583833132.db2.gz FNZKSCZNDBESTE-UHFFFAOYSA-N -1 3 335.393 -0.124 20 0 EBADHM O=S1(=O)CC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC000823614360 583834718 /nfs/dbraw/zinc/83/47/18/583834718.db2.gz PFSDIGGJKVOPPO-GFCCVEGCSA-N -1 3 349.420 -0.429 20 0 EBADHM O=S1(=O)CC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC000823614360 583834719 /nfs/dbraw/zinc/83/47/19/583834719.db2.gz PFSDIGGJKVOPPO-GFCCVEGCSA-N -1 3 349.420 -0.429 20 0 EBADHM OC[C@@H]1CN(C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000823714221 583835808 /nfs/dbraw/zinc/83/58/08/583835808.db2.gz LSESYZRASJKWJS-OCCSQVGLSA-N -1 3 335.364 -0.701 20 0 EBADHM OC[C@@H]1CN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000823714221 583835809 /nfs/dbraw/zinc/83/58/09/583835809.db2.gz LSESYZRASJKWJS-OCCSQVGLSA-N -1 3 335.364 -0.701 20 0 EBADHM C[C@H](C(N)=O)N(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000824052372 583840587 /nfs/dbraw/zinc/84/05/87/583840587.db2.gz NVMLHMXKYAYGHM-MRVPVSSYSA-N -1 3 333.356 -0.811 20 0 EBADHM C[C@H](C(N)=O)N(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000824052372 583840588 /nfs/dbraw/zinc/84/05/88/583840588.db2.gz NVMLHMXKYAYGHM-MRVPVSSYSA-N -1 3 333.356 -0.811 20 0 EBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@@H](NC(N)=O)C1 ZINC000824045216 583840678 /nfs/dbraw/zinc/84/06/78/583840678.db2.gz JFZCWJGGTITRSZ-NXEZZACHSA-N -1 3 344.379 -0.064 20 0 EBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@@H](NC(N)=O)C1 ZINC000824045216 583840680 /nfs/dbraw/zinc/84/06/80/583840680.db2.gz JFZCWJGGTITRSZ-NXEZZACHSA-N -1 3 344.379 -0.064 20 0 EBADHM C[C@@H](C(N)=O)N(C)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000824051807 583840715 /nfs/dbraw/zinc/84/07/15/583840715.db2.gz FNEWHDQARBTILZ-IONNQARKSA-N -1 3 335.393 -0.161 20 0 EBADHM C[C@@H](C(N)=O)N(C)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000824051807 583840716 /nfs/dbraw/zinc/84/07/16/583840716.db2.gz FNEWHDQARBTILZ-IONNQARKSA-N -1 3 335.393 -0.161 20 0 EBADHM CC(C)NC(=O)CN(C)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000824301406 583843751 /nfs/dbraw/zinc/84/37/51/583843751.db2.gz XTXWZPKTEMYRMG-UHFFFAOYSA-N -1 3 332.368 -0.343 20 0 EBADHM CC(C)NC(=O)CN(C)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000824301406 583843752 /nfs/dbraw/zinc/84/37/52/583843752.db2.gz XTXWZPKTEMYRMG-UHFFFAOYSA-N -1 3 332.368 -0.343 20 0 EBADHM CC(C)NC(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000824301417 583843754 /nfs/dbraw/zinc/84/37/54/583843754.db2.gz YPPVFEMOTVMITC-UHFFFAOYSA-N -1 3 344.379 -0.565 20 0 EBADHM CC(C)NC(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000824301417 583843755 /nfs/dbraw/zinc/84/37/55/583843755.db2.gz YPPVFEMOTVMITC-UHFFFAOYSA-N -1 3 344.379 -0.565 20 0 EBADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)CO ZINC000824433671 583845751 /nfs/dbraw/zinc/84/57/51/583845751.db2.gz GPOUDNVUSCPLEC-NXEZZACHSA-N -1 3 332.364 -0.270 20 0 EBADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)CO ZINC000824433671 583845753 /nfs/dbraw/zinc/84/57/53/583845753.db2.gz GPOUDNVUSCPLEC-NXEZZACHSA-N -1 3 332.364 -0.270 20 0 EBADHM C[C@@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)NC(=O)[O-] ZINC000824592686 583847744 /nfs/dbraw/zinc/84/77/44/583847744.db2.gz VKYBZTOQMWUPDU-LBPRGKRZSA-N -1 3 326.397 -0.201 20 0 EBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000824745233 583849901 /nfs/dbraw/zinc/84/99/01/583849901.db2.gz PINOYICCMVXSOK-ZJUUUORDSA-N -1 3 345.363 -0.097 20 0 EBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000824745233 583849902 /nfs/dbraw/zinc/84/99/02/583849902.db2.gz PINOYICCMVXSOK-ZJUUUORDSA-N -1 3 345.363 -0.097 20 0 EBADHM CC[C@@H]1C(=O)NCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825176429 583855923 /nfs/dbraw/zinc/85/59/23/583855923.db2.gz STDNNVVEIGIHCS-VXGBXAGGSA-N -1 3 330.348 -0.363 20 0 EBADHM CC[C@@H]1C(=O)NCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825176429 583855925 /nfs/dbraw/zinc/85/59/25/583855925.db2.gz STDNNVVEIGIHCS-VXGBXAGGSA-N -1 3 330.348 -0.363 20 0 EBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCCN1CCOCC1 ZINC000825224044 583856483 /nfs/dbraw/zinc/85/64/83/583856483.db2.gz MLHWYTYZFMOQJS-UHFFFAOYSA-N -1 3 347.393 -0.555 20 0 EBADHM CCN(CC(=O)N(C)C)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825395926 583860083 /nfs/dbraw/zinc/86/00/83/583860083.db2.gz YCTYJYZHXOGDCF-ZDUSSCGKSA-N -1 3 332.364 -0.163 20 0 EBADHM CCN(CC(=O)N(C)C)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825395926 583860084 /nfs/dbraw/zinc/86/00/84/583860084.db2.gz YCTYJYZHXOGDCF-ZDUSSCGKSA-N -1 3 332.364 -0.163 20 0 EBADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000825476576 583861664 /nfs/dbraw/zinc/86/16/64/583861664.db2.gz NYMWQCHHXZPFDS-VIFPVBQESA-N -1 3 339.381 -0.651 20 0 EBADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000825476576 583861666 /nfs/dbraw/zinc/86/16/66/583861666.db2.gz NYMWQCHHXZPFDS-VIFPVBQESA-N -1 3 339.381 -0.651 20 0 EBADHM CCOC(=O)C(=O)N1CCN(c2nccc(C)c2-c2nnn[n-]2)CC1 ZINC000825485840 583861761 /nfs/dbraw/zinc/86/17/61/583861761.db2.gz JZSOZYXAJFAQRW-UHFFFAOYSA-N -1 3 345.363 -0.218 20 0 EBADHM CCOC(=O)C(=O)N1CCN(c2nccc(C)c2-c2nn[n-]n2)CC1 ZINC000825485840 583861763 /nfs/dbraw/zinc/86/17/63/583861763.db2.gz JZSOZYXAJFAQRW-UHFFFAOYSA-N -1 3 345.363 -0.218 20 0 EBADHM CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000825476170 583861771 /nfs/dbraw/zinc/86/17/71/583861771.db2.gz BJOIOHCNFAXRGC-JTQLQIEISA-N -1 3 326.382 -0.027 20 0 EBADHM CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000825476170 583861772 /nfs/dbraw/zinc/86/17/72/583861772.db2.gz BJOIOHCNFAXRGC-JTQLQIEISA-N -1 3 326.382 -0.027 20 0 EBADHM CCOC(=O)[C@@H](CO)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825494301 583861972 /nfs/dbraw/zinc/86/19/72/583861972.db2.gz VOFVCQMDFGNHOG-SNVBAGLBSA-N -1 3 335.320 -0.714 20 0 EBADHM CCOC(=O)[C@@H](CO)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825494301 583861974 /nfs/dbraw/zinc/86/19/74/583861974.db2.gz VOFVCQMDFGNHOG-SNVBAGLBSA-N -1 3 335.320 -0.714 20 0 EBADHM CCOC(=O)c1cnn(CCN2C(=O)CCC2=O)c1-c1nnn[n-]1 ZINC000825570620 583863315 /nfs/dbraw/zinc/86/33/15/583863315.db2.gz LPAKGCXACPGJKR-UHFFFAOYSA-N -1 3 333.308 -0.611 20 0 EBADHM CCc1nnc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[nH]1 ZINC000825746049 583866418 /nfs/dbraw/zinc/86/64/18/583866418.db2.gz QOPYHYMKWLIQOZ-ZETCQYMHSA-N -1 3 349.380 -0.018 20 0 EBADHM CCc1nnc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[nH]1 ZINC000825746049 583866420 /nfs/dbraw/zinc/86/64/20/583866420.db2.gz QOPYHYMKWLIQOZ-ZETCQYMHSA-N -1 3 349.380 -0.018 20 0 EBADHM CCN1C(=O)N=NC1S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825796749 583867096 /nfs/dbraw/zinc/86/70/96/583867096.db2.gz LXKTUUZGLIDCJV-UHFFFAOYSA-N -1 3 336.337 -0.447 20 0 EBADHM CN(C(=O)c1cn(C)c(=O)[nH]c1=O)c1ccccc1-c1nnn[n-]1 ZINC000825833952 583867888 /nfs/dbraw/zinc/86/78/88/583867888.db2.gz PBZGZURHLSIREN-UHFFFAOYSA-N -1 3 327.304 -0.057 20 0 EBADHM CN(C(=O)c1cn(C)c(=O)[nH]c1=O)c1ccccc1-c1nn[n-]n1 ZINC000825833952 583867890 /nfs/dbraw/zinc/86/78/90/583867890.db2.gz PBZGZURHLSIREN-UHFFFAOYSA-N -1 3 327.304 -0.057 20 0 EBADHM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)O1 ZINC000825841545 583868075 /nfs/dbraw/zinc/86/80/75/583868075.db2.gz XWXJMEROYPILIR-ONGXEEELSA-N -1 3 333.352 -0.440 20 0 EBADHM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)O1 ZINC000825841545 583868078 /nfs/dbraw/zinc/86/80/78/583868078.db2.gz XWXJMEROYPILIR-ONGXEEELSA-N -1 3 333.352 -0.440 20 0 EBADHM CN(C)C(=O)NCCN(C)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000825845795 583868417 /nfs/dbraw/zinc/86/84/17/583868417.db2.gz MJFOBGWQYHLRCB-UHFFFAOYSA-N -1 3 347.379 -0.025 20 0 EBADHM CN(C)C(=O)NCCN(C)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000825845795 583868420 /nfs/dbraw/zinc/86/84/20/583868420.db2.gz MJFOBGWQYHLRCB-UHFFFAOYSA-N -1 3 347.379 -0.025 20 0 EBADHM CN(C)C(=O)NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825845117 583868590 /nfs/dbraw/zinc/86/85/90/583868590.db2.gz CPBPWMVXDOKUDT-UHFFFAOYSA-N -1 3 339.381 -0.584 20 0 EBADHM CN(C)C(=O)NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825845117 583868592 /nfs/dbraw/zinc/86/85/92/583868592.db2.gz CPBPWMVXDOKUDT-UHFFFAOYSA-N -1 3 339.381 -0.584 20 0 EBADHM CN(CC(C)(CO)CO)[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825897459 583870041 /nfs/dbraw/zinc/87/00/41/583870041.db2.gz FYMDHZZLKOMTPA-LBPRGKRZSA-N -1 3 334.380 -0.684 20 0 EBADHM CN(CC(C)(CO)CO)[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825897459 583870043 /nfs/dbraw/zinc/87/00/43/583870043.db2.gz FYMDHZZLKOMTPA-LBPRGKRZSA-N -1 3 334.380 -0.684 20 0 EBADHM CN(CCN1CCOCC1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825938038 583871378 /nfs/dbraw/zinc/87/13/78/583871378.db2.gz MTWQPFGRJRTRTR-CQSZACIVSA-N -1 3 346.391 -0.309 20 0 EBADHM CN(CCN1CCOCC1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825938038 583871380 /nfs/dbraw/zinc/87/13/80/583871380.db2.gz MTWQPFGRJRTRTR-CQSZACIVSA-N -1 3 346.391 -0.309 20 0 EBADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1nnnn1C1CC1 ZINC000825937715 583871474 /nfs/dbraw/zinc/87/14/74/583871474.db2.gz IWHOBUPINJNNRW-UHFFFAOYSA-N -1 3 344.387 -0.442 20 0 EBADHM CN1CCN(CCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826038785 583875127 /nfs/dbraw/zinc/87/51/27/583875127.db2.gz XOYLIQAQMLXQPR-CQSZACIVSA-N -1 3 345.407 -0.736 20 0 EBADHM CN1CCN(CCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826038785 583875130 /nfs/dbraw/zinc/87/51/30/583875130.db2.gz XOYLIQAQMLXQPR-CQSZACIVSA-N -1 3 345.407 -0.736 20 0 EBADHM CNC(=O)[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826051763 583875559 /nfs/dbraw/zinc/87/55/59/583875559.db2.gz MYIXCEJVZYQERB-VXGBXAGGSA-N -1 3 332.364 -0.213 20 0 EBADHM CNC(=O)[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826051763 583875560 /nfs/dbraw/zinc/87/55/60/583875560.db2.gz MYIXCEJVZYQERB-VXGBXAGGSA-N -1 3 332.364 -0.213 20 0 EBADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826052670 583875579 /nfs/dbraw/zinc/87/55/79/583875579.db2.gz RNSOKMMJZUHDNS-JHJVBQTASA-N -1 3 344.375 -0.069 20 0 EBADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826052670 583875580 /nfs/dbraw/zinc/87/55/80/583875580.db2.gz RNSOKMMJZUHDNS-JHJVBQTASA-N -1 3 344.375 -0.069 20 0 EBADHM CNC(=O)[C@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000826060068 583876120 /nfs/dbraw/zinc/87/61/20/583876120.db2.gz GECUCMGHNYKUPX-GFCCVEGCSA-N -1 3 346.347 -0.781 20 0 EBADHM CNC(=O)[C@H]1CN(C(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000826060068 583876121 /nfs/dbraw/zinc/87/61/21/583876121.db2.gz GECUCMGHNYKUPX-GFCCVEGCSA-N -1 3 346.347 -0.781 20 0 EBADHM CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000826060991 583876719 /nfs/dbraw/zinc/87/67/19/583876719.db2.gz XWTBGARNXAEDRY-GFCCVEGCSA-N -1 3 345.363 -0.748 20 0 EBADHM CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826060991 583876721 /nfs/dbraw/zinc/87/67/21/583876721.db2.gz XWTBGARNXAEDRY-GFCCVEGCSA-N -1 3 345.363 -0.748 20 0 EBADHM CNS(=O)(=O)CCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826090977 583877993 /nfs/dbraw/zinc/87/79/93/583877993.db2.gz SYGCBPOLOYTUSO-UHFFFAOYSA-N -1 3 343.340 -0.012 20 0 EBADHM CNS(=O)(=O)CCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826090977 583877995 /nfs/dbraw/zinc/87/79/95/583877995.db2.gz SYGCBPOLOYTUSO-UHFFFAOYSA-N -1 3 343.340 -0.012 20 0 EBADHM CNS(=O)(=O)CCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826090437 583878052 /nfs/dbraw/zinc/87/80/52/583878052.db2.gz HQYXKXUNBNKBKC-UHFFFAOYSA-N -1 3 343.340 -0.012 20 0 EBADHM CNS(=O)(=O)CCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826090437 583878054 /nfs/dbraw/zinc/87/80/54/583878054.db2.gz HQYXKXUNBNKBKC-UHFFFAOYSA-N -1 3 343.340 -0.012 20 0 EBADHM COC[C@H](CCO)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826149310 583883582 /nfs/dbraw/zinc/88/35/82/583883582.db2.gz FFUNSFXHFOPJPI-QMMMGPOBSA-N -1 3 345.356 -0.319 20 0 EBADHM COC[C@H](CCO)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826149310 583883584 /nfs/dbraw/zinc/88/35/84/583883584.db2.gz FFUNSFXHFOPJPI-QMMMGPOBSA-N -1 3 345.356 -0.319 20 0 EBADHM COC[C@@H](CCO)NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826149708 583883906 /nfs/dbraw/zinc/88/39/06/583883906.db2.gz NEMANWPDZPWRDW-SNVBAGLBSA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@@H](CCO)NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826149708 583883907 /nfs/dbraw/zinc/88/39/07/583883907.db2.gz NEMANWPDZPWRDW-SNVBAGLBSA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000826150271 583884266 /nfs/dbraw/zinc/88/42/66/583884266.db2.gz AIFUBCQBQZYSSZ-NSHDSACASA-N -1 3 335.320 -0.450 20 0 EBADHM COC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000826150271 583884268 /nfs/dbraw/zinc/88/42/68/583884268.db2.gz AIFUBCQBQZYSSZ-NSHDSACASA-N -1 3 335.320 -0.450 20 0 EBADHM COC[C@@H](O)C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826152112 583884690 /nfs/dbraw/zinc/88/46/90/583884690.db2.gz RDKYRDGCWFKGGT-NEPJUHHUSA-N -1 3 347.331 -0.478 20 0 EBADHM COC[C@@H](O)C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826152112 583884692 /nfs/dbraw/zinc/88/46/92/583884692.db2.gz RDKYRDGCWFKGGT-NEPJUHHUSA-N -1 3 347.331 -0.478 20 0 EBADHM COC[C@@H](O)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826151919 583884696 /nfs/dbraw/zinc/88/46/96/583884696.db2.gz MINBXQGCKJPOFR-LDYMZIIASA-N -1 3 335.320 -0.256 20 0 EBADHM COC[C@@H](O)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826151919 583884698 /nfs/dbraw/zinc/88/46/98/583884698.db2.gz MINBXQGCKJPOFR-LDYMZIIASA-N -1 3 335.320 -0.256 20 0 EBADHM COC[C@H](O)CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826152256 583884993 /nfs/dbraw/zinc/88/49/93/583884993.db2.gz ULFJFCWWAWJXKO-SECBINFHSA-N -1 3 345.356 -0.319 20 0 EBADHM COCC[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826154125 583885007 /nfs/dbraw/zinc/88/50/07/583885007.db2.gz IMJPMXYKHZDRHH-SNVBAGLBSA-N -1 3 334.336 -0.748 20 0 EBADHM COCC[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826154125 583885009 /nfs/dbraw/zinc/88/50/09/583885009.db2.gz IMJPMXYKHZDRHH-SNVBAGLBSA-N -1 3 334.336 -0.748 20 0 EBADHM COCCN(CC(=O)OC)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157978 583885556 /nfs/dbraw/zinc/88/55/56/583885556.db2.gz UPZFXFVSRZDAHA-ZDUSSCGKSA-N -1 3 349.347 -0.452 20 0 EBADHM COCCN(CC(=O)OC)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157978 583885557 /nfs/dbraw/zinc/88/55/57/583885557.db2.gz UPZFXFVSRZDAHA-ZDUSSCGKSA-N -1 3 349.347 -0.452 20 0 EBADHM COCC[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826155341 583885591 /nfs/dbraw/zinc/88/55/91/583885591.db2.gz MVWGZDGKELOYGT-VIFPVBQESA-N -1 3 340.365 -0.965 20 0 EBADHM COCC[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826155341 583885593 /nfs/dbraw/zinc/88/55/93/583885593.db2.gz MVWGZDGKELOYGT-VIFPVBQESA-N -1 3 340.365 -0.965 20 0 EBADHM COCCN1CCC[C@@H]1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826159713 583885850 /nfs/dbraw/zinc/88/58/50/583885850.db2.gz PHWQNNHHHYGYKP-LLVKDONJSA-N -1 3 349.395 -0.067 20 0 EBADHM COCCN(CCO)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826158446 583885882 /nfs/dbraw/zinc/88/58/82/583885882.db2.gz PGYUFXDOCUAQGU-UHFFFAOYSA-N -1 3 341.393 -0.195 20 0 EBADHM COCCN(CCO)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826158446 583885883 /nfs/dbraw/zinc/88/58/83/583885883.db2.gz PGYUFXDOCUAQGU-UHFFFAOYSA-N -1 3 341.393 -0.195 20 0 EBADHM COCCN1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000826159382 583886024 /nfs/dbraw/zinc/88/60/24/583886024.db2.gz CZFNAWFBIMVEDW-UHFFFAOYSA-N -1 3 344.375 -0.274 20 0 EBADHM COCCN1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000826159382 583886027 /nfs/dbraw/zinc/88/60/27/583886027.db2.gz CZFNAWFBIMVEDW-UHFFFAOYSA-N -1 3 344.375 -0.274 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CN1CC(=O)NC1=O ZINC000826171946 583886881 /nfs/dbraw/zinc/88/68/81/583886881.db2.gz GIMLPVJZFVUMNS-UHFFFAOYSA-N -1 3 346.303 -0.530 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1CN1CC[C@@]2(C1)NC(=O)NC2=O ZINC000826169220 583886892 /nfs/dbraw/zinc/88/68/92/583886892.db2.gz LNGQQGUIBQCRHK-HNNXBMFYSA-N -1 3 343.347 -0.341 20 0 EBADHM COc1ccc(CN2CCN(C(=O)[C@H](C)O)CC2)cc1-c1nnn[n-]1 ZINC000826195177 583887020 /nfs/dbraw/zinc/88/70/20/583887020.db2.gz KOYIFNRJRXWUOX-NSHDSACASA-N -1 3 346.391 -0.100 20 0 EBADHM COc1ccc(CN2CCN(C(=O)[C@H](C)O)CC2)cc1-c1nn[n-]n1 ZINC000826195177 583887023 /nfs/dbraw/zinc/88/70/23/583887023.db2.gz KOYIFNRJRXWUOX-NSHDSACASA-N -1 3 346.391 -0.100 20 0 EBADHM COc1ccc(CN2CC[C@]3(C2)NC(=O)NC3=O)cc1-c1nnn[n-]1 ZINC000826194080 583887377 /nfs/dbraw/zinc/88/73/77/583887377.db2.gz AAEPSKOFPAJFPE-OAHLLOKOSA-N -1 3 343.347 -0.341 20 0 EBADHM CS(=O)(=O)NCCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826223158 583888193 /nfs/dbraw/zinc/88/81/93/583888193.db2.gz CPGNAGHHNROQIR-UHFFFAOYSA-N -1 3 336.377 -0.305 20 0 EBADHM CS(=O)(=O)NCCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826223158 583888196 /nfs/dbraw/zinc/88/81/96/583888196.db2.gz CPGNAGHHNROQIR-UHFFFAOYSA-N -1 3 336.377 -0.305 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCN1C(=O)CNC1=O ZINC000826248556 583889418 /nfs/dbraw/zinc/88/94/18/583889418.db2.gz NLESQVQFSVXWPK-UHFFFAOYSA-N -1 3 343.347 -0.153 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCN1C(=O)CNC1=O ZINC000826248556 583889420 /nfs/dbraw/zinc/88/94/20/583889420.db2.gz NLESQVQFSVXWPK-UHFFFAOYSA-N -1 3 343.347 -0.153 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000826245859 583889473 /nfs/dbraw/zinc/88/94/73/583889473.db2.gz KBKIJGVNBYZEAP-LLVKDONJSA-N -1 3 341.331 -0.449 20 0 EBADHM Cc1cccc(S(=O)(=O)N[C@H]2CCCNC2=O)c1-c1nnn[n-]1 ZINC000826302708 583890823 /nfs/dbraw/zinc/89/08/23/583890823.db2.gz 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C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001036417551 811154570 /nfs/dbraw/zinc/15/45/70/811154570.db2.gz ZCZDUPPSINIPOY-ZJUUUORDSA-N -1 3 338.412 -0.262 20 0 EBADHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001036448479 811161974 /nfs/dbraw/zinc/16/19/74/811161974.db2.gz XFCPSLSGZUCQNP-UWVGGRQHSA-N -1 3 347.379 -0.376 20 0 EBADHM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036503077 811166655 /nfs/dbraw/zinc/16/66/55/811166655.db2.gz LXTIMTXGJBLRFV-DGCLKSJQSA-N -1 3 345.407 -0.071 20 0 EBADHM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036586027 811181223 /nfs/dbraw/zinc/18/12/23/811181223.db2.gz LKAJKKPQWAQDMX-NEPJUHHUSA-N -1 3 345.407 -0.071 20 0 EBADHM Cc1nonc1C(=O)N1CCC[C@H](C)[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036600447 811182486 /nfs/dbraw/zinc/18/24/86/811182486.db2.gz ALWDMIRXAUWQMB-GXSJLCMTSA-N -1 3 349.395 -0.170 20 0 EBADHM Cn1cc(C(=O)N2CC[C@H]3[C@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)cn1 ZINC001036641786 811192714 /nfs/dbraw/zinc/19/27/14/811192714.db2.gz GVXAAOFYMCVZRQ-YPMHNXCESA-N -1 3 345.407 -0.422 20 0 EBADHM CCCCCN1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1 ZINC001220752975 811227529 /nfs/dbraw/zinc/22/75/29/811227529.db2.gz XUJCJPZUBQAEFC-NEPJUHHUSA-N -1 3 334.380 -0.617 20 0 EBADHM Cn1cncc1C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nc(=O)n(C)[n-]2)C1 ZINC001036763290 811246728 /nfs/dbraw/zinc/24/67/28/811246728.db2.gz YKKLVKFSQMEOSB-VXGBXAGGSA-N -1 3 345.407 -0.422 20 0 EBADHM O=C(c1cc(=O)n2[n-]cnc2n1)N1CC[C@@H]2[C@H](CCN2CCF)C1 ZINC001036869590 811296876 /nfs/dbraw/zinc/29/68/76/811296876.db2.gz HICVYTZXCOZJFL-ZYHUDNBSSA-N -1 3 334.355 -0.077 20 0 EBADHM O=C(N[C@H]1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1)c1ccc(=O)[nH]n1 ZINC001036940039 811316334 /nfs/dbraw/zinc/31/63/34/811316334.db2.gz SWBXEVBSRGHULN-BDAKNGLRSA-N -1 3 333.352 -0.306 20 0 EBADHM O=C(CN1CCCC1=O)N[C@@H]1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001036943534 811317853 /nfs/dbraw/zinc/31/78/53/811317853.db2.gz WGRAYWVQGQDEHP-WDEREUQCSA-N -1 3 336.396 -0.493 20 0 EBADHM O=C(CN1CCOCC1)N[C@@H]1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001036986080 811325234 /nfs/dbraw/zinc/32/52/34/811325234.db2.gz QPZKPRSVWXGVDS-NWDGAFQWSA-N -1 3 338.412 -0.783 20 0 EBADHM O=C(N[C@H]1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1)c1cn[nH]c(=O)c1 ZINC001037026424 811342376 /nfs/dbraw/zinc/34/23/76/811342376.db2.gz WZVGCTWOJOYJLR-SCZZXKLOSA-N -1 3 333.352 -0.306 20 0 EBADHM Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)cc1=O ZINC001037031114 811343976 /nfs/dbraw/zinc/34/39/76/811343976.db2.gz DNICGIIHPMBYAA-VXGBXAGGSA-N -1 3 346.391 -0.103 20 0 EBADHM Cn1cc(C(=O)N[C@H]2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)ccc1=O ZINC001037036860 811345820 /nfs/dbraw/zinc/34/58/20/811345820.db2.gz PKBZUGAHLSYEHC-JQWIXIFHSA-N -1 3 346.391 -0.103 20 0 EBADHM Cc1nnc(CNC[C@H]2CCC[C@@H]2NC(=O)c2n[nH]c(=O)[n-]c2=O)[nH]1 ZINC001037037795 811347305 /nfs/dbraw/zinc/34/73/05/811347305.db2.gz DCXWVBNCRBMGQO-BDAKNGLRSA-N -1 3 348.367 -0.602 20 0 EBADHM Cn1nncc1C(=O)N[C@@H]1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001037199706 811385116 /nfs/dbraw/zinc/38/51/16/811385116.db2.gz NJMUMENQSWRWBN-NXEZZACHSA-N -1 3 334.384 -0.283 20 0 EBADHM Cn1ncc(C(=O)N[C@H]2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)n1 ZINC001037242719 811393732 /nfs/dbraw/zinc/39/37/32/811393732.db2.gz DJOTUFQYVCQVFQ-ZJUUUORDSA-N -1 3 334.384 -0.283 20 0 EBADHM CCC(=O)N1CC2(CCN(Cc3nc(=O)n(C)[n-]3)CC2)[C@H]2COC[C@H]21 ZINC001079213092 811448438 /nfs/dbraw/zinc/44/84/38/811448438.db2.gz BXPOZTXWPLWTJH-QWHCGFSZSA-N -1 3 349.435 -0.042 20 0 EBADHM CCN(C(=O)CN1CCOCC1)C1CN(C(=O)c2cnc[n-]c2=O)C1 ZINC001079634371 811617824 /nfs/dbraw/zinc/61/78/24/811617824.db2.gz FTSYLMLSAAGJBX-UHFFFAOYSA-N -1 3 349.391 -0.813 20 0 EBADHM C[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001079755113 811704907 /nfs/dbraw/zinc/70/49/07/811704907.db2.gz DZUOIZSWKNIGAI-BXKDBHETSA-N -1 3 341.379 -0.268 20 0 EBADHM CCN(C(=O)CNC(=O)NC)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001079918829 811793874 /nfs/dbraw/zinc/79/38/74/811793874.db2.gz GRZCSFDUAODWIO-UHFFFAOYSA-N -1 3 334.376 -0.006 20 0 EBADHM CCN(C(=O)CCCCC(N)=O)C1CN(C(=O)c2cnc[n-]c2=O)C1 ZINC001080547242 812055263 /nfs/dbraw/zinc/05/52/63/812055263.db2.gz VJQKSBGRVGHIAH-UHFFFAOYSA-N -1 3 349.391 -0.099 20 0 EBADHM C[C@@H]1CN(CCCF)C[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001080636565 812105726 /nfs/dbraw/zinc/10/57/26/812105726.db2.gz ARXGECDGWBQMOD-ZYHUDNBSSA-N -1 3 336.371 -0.133 20 0 EBADHM Cc1c(C(=O)N2CCC(CO)(NC(=O)c3cn[n-]n3)CC2)cnn1C ZINC001080908935 812341030 /nfs/dbraw/zinc/34/10/30/812341030.db2.gz IJTBFUILXMGBFQ-UHFFFAOYSA-N -1 3 347.379 -0.756 20 0 EBADHM O=C(NC1(CO)CCN(C(=O)c2ccc(F)nc2)CC1)c1cn[n-]n1 ZINC001080909214 812343242 /nfs/dbraw/zinc/34/32/42/812343242.db2.gz NRRWCAKPXCRSSC-UHFFFAOYSA-N -1 3 348.338 -0.264 20 0 EBADHM O=C(CCC(F)F)N1CCC(CO)(NC(=O)c2cn[n-]n2)CC1 ZINC001080909953 812346161 /nfs/dbraw/zinc/34/61/61/812346161.db2.gz HAXSPMWHZMZTON-UHFFFAOYSA-N -1 3 331.323 -0.067 20 0 EBADHM Cc1nccc(C(=O)N2CCC(CO)(NC(=O)c3cn[n-]n3)CC2)n1 ZINC001080909947 812346344 /nfs/dbraw/zinc/34/63/44/812346344.db2.gz GSMXTCWHBBQJID-UHFFFAOYSA-N -1 3 345.363 -0.700 20 0 EBADHM CC(=O)N1CCC(CO)(NC(=O)CCc2c(C)nc[n-]c2=O)CC1 ZINC001080910249 812347837 /nfs/dbraw/zinc/34/78/37/812347837.db2.gz RWUWXGLQOKJGFE-UHFFFAOYSA-N -1 3 336.392 -0.087 20 0 EBADHM Cc1nnccc1C(=O)N1CCC(CO)(NC(=O)c2cn[n-]n2)CC1 ZINC001080910230 812348712 /nfs/dbraw/zinc/34/87/12/812348712.db2.gz RCILNOLXWINZPG-UHFFFAOYSA-N -1 3 345.363 -0.700 20 0 EBADHM NC(=O)c1c([O-])cccc1O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-] ZINC001234149689 812390515 /nfs/dbraw/zinc/39/05/15/812390515.db2.gz PRNFGGDNJRVNBZ-RBLKWDMZSA-N -1 3 326.261 -0.387 20 0 EBADHM CN(CCCNC(=O)[C@H]1CCOC1)Cc1cc(=O)n2[n-]ccc2n1 ZINC001235217046 812474022 /nfs/dbraw/zinc/47/40/22/812474022.db2.gz VSGAGOUUOIUECC-LBPRGKRZSA-N -1 3 333.392 -0.003 20 0 EBADHM O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[NH2+]C[C@@H]2CO)c(F)cc1F ZINC001238644859 812530061 /nfs/dbraw/zinc/53/00/61/812530061.db2.gz KOWNIRBZCIUXTO-LHLIQPBNSA-N -1 3 336.316 -0.478 20 0 EBADHM CC(F)(F)C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001081185626 812536278 /nfs/dbraw/zinc/53/62/78/812536278.db2.gz DSIGGPNLZLBCIZ-VXNVDRBHSA-N -1 3 330.291 -0.614 20 0 EBADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C[C@H]1N ZINC001239137536 812549643 /nfs/dbraw/zinc/54/96/43/812549643.db2.gz XXOZWYQWBJSWSZ-MWLCHTKSSA-N -1 3 346.336 -0.355 20 0 EBADHM O=C1CCc2cc(-c3noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n3)ccc21 ZINC001247607003 812597078 /nfs/dbraw/zinc/59/70/78/812597078.db2.gz AOLIDPNKWGSPNC-YNEHKIRRSA-N -1 3 348.311 -0.877 20 0 EBADHM [O-]C(=C(O)c1nc(-c2ccnc3ccccc32)no1)[C@@H](O)[C@@H](O)CO ZINC001247601182 812597116 /nfs/dbraw/zinc/59/71/16/812597116.db2.gz VBBTWAGMEOISFT-RWMBFGLXSA-N -1 3 345.311 -0.458 20 0 EBADHM [O-]C(=C(O)c1nc(-c2cnc3c(c2)CCCC3)no1)[C@H](O)[C@@H](O)CO ZINC001247601693 812597157 /nfs/dbraw/zinc/59/71/57/812597157.db2.gz ZLPCAGQFACTAIY-YNEHKIRRSA-N -1 3 349.343 -0.732 20 0 EBADHM [O-]C(=C(O)c1nc(-c2cnc3c(c2)CCCC3)no1)[C@H](O)[C@H](O)CO ZINC001247601688 812597229 /nfs/dbraw/zinc/59/72/29/812597229.db2.gz ZLPCAGQFACTAIY-JHJVBQTASA-N -1 3 349.343 -0.732 20 0 EBADHM [O-]C(=C(O)c1nc(-c2ccc(F)c(Cl)c2)no1)[C@H](O)[C@@H](O)CO ZINC001247608472 812598289 /nfs/dbraw/zinc/59/82/89/812598289.db2.gz DYWZWNKFVYZZGY-IVZWLZJFSA-N -1 3 346.698 -0.213 20 0 EBADHM Cc1c(F)cccc1-c1noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n1 ZINC001247608654 812598334 /nfs/dbraw/zinc/59/83/34/812598334.db2.gz GAHOPUBTDOYVIP-HBNTYKKESA-N -1 3 326.280 -0.558 20 0 EBADHM [O-]C(=C(O)c1nc(-c2cncc3ccccc32)no1)[C@H](O)[C@@H](O)CO ZINC001247609956 812599350 /nfs/dbraw/zinc/59/93/50/812599350.db2.gz HUWVMNXNBCSOQK-YNEHKIRRSA-N -1 3 345.311 -0.458 20 0 EBADHM [O-]C(=C(O)c1nc(-c2cc(F)ccc2F)no1)[C@@H](O)[C@H](O)CO ZINC001247611253 812600176 /nfs/dbraw/zinc/60/01/76/812600176.db2.gz MCWVFIWCZRXNCE-KXUCPTDWSA-N -1 3 330.243 -0.728 20 0 EBADHM COc1cccc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c1F ZINC001247611752 812601643 /nfs/dbraw/zinc/60/16/43/812601643.db2.gz NHWNKKSKLULWRB-AVPPRXQKSA-N -1 3 342.279 -0.858 20 0 EBADHM Cc1ncc(Cl)cc1-c1noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n1 ZINC001247614678 812602269 /nfs/dbraw/zinc/60/22/69/812602269.db2.gz SSAPQTHEMZBEDF-LPEHRKFASA-N -1 3 343.723 -0.649 20 0 EBADHM Cn1ccc2ccc(-c3noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n3)cc21 ZINC001247615459 812602532 /nfs/dbraw/zinc/60/25/32/812602532.db2.gz UZZIOZLUTLGSLE-RWMBFGLXSA-N -1 3 347.327 -0.514 20 0 EBADHM [O-]C(=C(O)c1nc(-c2cccc(F)c2Cl)no1)[C@@H](O)[C@H](O)CO ZINC001247617417 812603447 /nfs/dbraw/zinc/60/34/47/812603447.db2.gz ZNPNHIUGOMWIHQ-FKTZTGRPSA-N -1 3 346.698 -0.213 20 0 EBADHM Cc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)cc1Cl ZINC001247617493 812603917 /nfs/dbraw/zinc/60/39/17/812603917.db2.gz ZTFHVFVWZLELEM-HBNTYKKESA-N -1 3 342.735 -0.044 20 0 EBADHM CCOc1ccc(-c2nnc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)o2)cc1 ZINC001252044519 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COCCNC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821691377 583802074 /nfs/dbraw/zinc/80/20/74/583802074.db2.gz RWQSYBQONMKAQD-UHFFFAOYSA-N -1 3 346.395 -0.854 20 0 EBADHM CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821696931 583802392 /nfs/dbraw/zinc/80/23/92/583802392.db2.gz UZDOWTCTAHEJGF-MRVPVSSYSA-N -1 3 340.365 -0.447 20 0 EBADHM CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821696931 583802395 /nfs/dbraw/zinc/80/23/95/583802395.db2.gz UZDOWTCTAHEJGF-MRVPVSSYSA-N -1 3 340.365 -0.447 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCn1ncnn1 ZINC000821700698 583802556 /nfs/dbraw/zinc/80/25/56/583802556.db2.gz VGNYXKRIQDWCFD-UHFFFAOYSA-N -1 3 345.323 -0.943 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCn1ncnn1 ZINC000821700698 583802558 /nfs/dbraw/zinc/80/25/58/583802558.db2.gz VGNYXKRIQDWCFD-UHFFFAOYSA-N -1 3 345.323 -0.943 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CN1CC(=O)NC1=O ZINC000821742084 583803067 /nfs/dbraw/zinc/80/30/67/583803067.db2.gz ZDYRKKGXIDILTO-UHFFFAOYSA-N -1 3 346.303 -0.530 20 0 EBADHM CS(=O)(=O)N1CCC[C@@H](NCc2ccc(-c3nnn[n-]3)o2)C1 ZINC000821931653 583806304 /nfs/dbraw/zinc/80/63/04/583806304.db2.gz FGTXZMVUEGGUGU-SECBINFHSA-N -1 3 326.382 -0.027 20 0 EBADHM CS(=O)(=O)N1CCC[C@@H](NCc2ccc(-c3nn[n-]n3)o2)C1 ZINC000821931653 583806307 /nfs/dbraw/zinc/80/63/07/583806307.db2.gz FGTXZMVUEGGUGU-SECBINFHSA-N -1 3 326.382 -0.027 20 0 EBADHM CS(=O)(=O)N1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000821932819 583806313 /nfs/dbraw/zinc/80/63/13/583806313.db2.gz SDZSDNFFBIRTCQ-UHFFFAOYSA-N -1 3 339.381 -0.698 20 0 EBADHM CS(=O)(=O)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000821932819 583806316 /nfs/dbraw/zinc/80/63/16/583806316.db2.gz SDZSDNFFBIRTCQ-UHFFFAOYSA-N -1 3 339.381 -0.698 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)CC(N)=O ZINC000822216550 583808327 /nfs/dbraw/zinc/80/83/27/583808327.db2.gz RVMUISBSUUDVNK-QMMMGPOBSA-N -1 3 331.336 -0.506 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)CC(N)=O ZINC000822216550 583808329 /nfs/dbraw/zinc/80/83/29/583808329.db2.gz RVMUISBSUUDVNK-QMMMGPOBSA-N -1 3 331.336 -0.506 20 0 EBADHM Cc1nc(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)no1 ZINC000822444189 583811073 /nfs/dbraw/zinc/81/10/73/583811073.db2.gz GCHQRLFRZUPARL-UHFFFAOYSA-N -1 3 344.339 -0.136 20 0 EBADHM Cc1nc(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)no1 ZINC000822444189 583811075 /nfs/dbraw/zinc/81/10/75/583811075.db2.gz GCHQRLFRZUPARL-UHFFFAOYSA-N -1 3 344.339 -0.136 20 0 EBADHM Cc1nncn1CCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822519904 583812029 /nfs/dbraw/zinc/81/20/29/583812029.db2.gz NXPAKYVXGJPIQM-UHFFFAOYSA-N -1 3 334.365 -0.255 20 0 EBADHM Cc1nncn1CCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822519904 583812032 /nfs/dbraw/zinc/81/20/32/583812032.db2.gz NXPAKYVXGJPIQM-UHFFFAOYSA-N -1 3 334.365 -0.255 20 0 EBADHM Cn1c(=O)cc(COc2ccc(-c3nnn[n-]3)cc2F)n(C)c1=O ZINC000822595647 583813131 /nfs/dbraw/zinc/81/31/31/583813131.db2.gz BALYCHQJJVDKRA-UHFFFAOYSA-N -1 3 332.295 -0.018 20 0 EBADHM Cn1c(=O)cc(COc2ccc(-c3nn[n-]n3)cc2F)n(C)c1=O ZINC000822595647 583813132 /nfs/dbraw/zinc/81/31/32/583813132.db2.gz BALYCHQJJVDKRA-UHFFFAOYSA-N -1 3 332.295 -0.018 20 0 EBADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCN2CCOCC2(C)C)n1 ZINC000822614945 583814835 /nfs/dbraw/zinc/81/48/35/583814835.db2.gz XWVWUBFGMDOKRG-UHFFFAOYSA-N -1 3 349.399 -0.168 20 0 EBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000822627222 583815079 /nfs/dbraw/zinc/81/50/79/583815079.db2.gz LQYXXFKHHQJXJZ-JSGCOSHPSA-N -1 3 345.407 -0.124 20 0 EBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000822627222 583815081 /nfs/dbraw/zinc/81/50/81/583815081.db2.gz LQYXXFKHHQJXJZ-JSGCOSHPSA-N -1 3 345.407 -0.124 20 0 EBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000822627064 583815151 /nfs/dbraw/zinc/81/51/51/583815151.db2.gz IZQDKBGKVFGZNE-GFCCVEGCSA-N -1 3 331.380 -0.248 20 0 EBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000822627064 583815154 /nfs/dbraw/zinc/81/51/54/583815154.db2.gz IZQDKBGKVFGZNE-GFCCVEGCSA-N -1 3 331.380 -0.248 20 0 EBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000822637034 583815473 /nfs/dbraw/zinc/81/54/73/583815473.db2.gz NFBSFEXMVCWXEW-NWDGAFQWSA-N -1 3 331.380 -0.202 20 0 EBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000822637036 583815625 /nfs/dbraw/zinc/81/56/25/583815625.db2.gz NFBSFEXMVCWXEW-VXGBXAGGSA-N -1 3 331.380 -0.202 20 0 EBADHM Cn1cc(N2CC[C@H](OC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2=O)cn1 ZINC000822680991 583816288 /nfs/dbraw/zinc/81/62/88/583816288.db2.gz SCQPMVPBOROQAI-NSHDSACASA-N -1 3 342.319 -0.109 20 0 EBADHM Cn1cc(N2CC[C@H](OC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2=O)cn1 ZINC000822680991 583816290 /nfs/dbraw/zinc/81/62/90/583816290.db2.gz SCQPMVPBOROQAI-NSHDSACASA-N -1 3 342.319 -0.109 20 0 EBADHM Cn1cnc2c1CCN(C[C@@H]1CNc3c(-c4nnn[n-]4)cnn3C1)C2 ZINC000822699159 583816652 /nfs/dbraw/zinc/81/66/52/583816652.db2.gz QHTGAGUATZUZPH-JTQLQIEISA-N -1 3 340.395 -0.103 20 0 EBADHM Cn1cnc2c1CCN(C[C@@H]1CNc3c(-c4nn[n-]n4)cnn3C1)C2 ZINC000822699159 583816653 /nfs/dbraw/zinc/81/66/53/583816653.db2.gz QHTGAGUATZUZPH-JTQLQIEISA-N -1 3 340.395 -0.103 20 0 EBADHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)CNc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000822859720 583819306 /nfs/dbraw/zinc/81/93/06/583819306.db2.gz IORMEUHKXOSRAX-RYUDHWBXSA-N -1 3 345.363 -0.572 20 0 EBADHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000822859720 583819310 /nfs/dbraw/zinc/81/93/10/583819310.db2.gz IORMEUHKXOSRAX-RYUDHWBXSA-N -1 3 345.363 -0.572 20 0 EBADHM NC(=O)[C@@H]1CN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000822864462 583819815 /nfs/dbraw/zinc/81/98/15/583819815.db2.gz ATNZKSBZMCEWPB-JTQLQIEISA-N -1 3 335.299 -0.276 20 0 EBADHM NC(=O)[C@@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000822864462 583819816 /nfs/dbraw/zinc/81/98/16/583819816.db2.gz ATNZKSBZMCEWPB-JTQLQIEISA-N -1 3 335.299 -0.276 20 0 EBADHM NC(=O)CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822864952 583819831 /nfs/dbraw/zinc/81/98/31/583819831.db2.gz QLKNGQMVNCIHOI-UHFFFAOYSA-N -1 3 335.299 -0.674 20 0 EBADHM NC(=O)CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822864952 583819833 /nfs/dbraw/zinc/81/98/33/583819833.db2.gz QLKNGQMVNCIHOI-UHFFFAOYSA-N -1 3 335.299 -0.674 20 0 EBADHM NC(=O)COCCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822869084 583820091 /nfs/dbraw/zinc/82/00/91/583820091.db2.gz OHVMQAOFOHRGQX-UHFFFAOYSA-N -1 3 336.377 -0.423 20 0 EBADHM NC(=O)COCCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822869084 583820092 /nfs/dbraw/zinc/82/00/92/583820092.db2.gz OHVMQAOFOHRGQX-UHFFFAOYSA-N -1 3 336.377 -0.423 20 0 EBADHM NC(=O)NC1CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822874205 583820593 /nfs/dbraw/zinc/82/05/93/583820593.db2.gz UROYKUZELZESHQ-UHFFFAOYSA-N -1 3 345.363 -0.095 20 0 EBADHM NC(=O)NC1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822874205 583820595 /nfs/dbraw/zinc/82/05/95/583820595.db2.gz UROYKUZELZESHQ-UHFFFAOYSA-N -1 3 345.363 -0.095 20 0 EBADHM NS(=O)(=O)c1ccc(NCCc2nnc[nH]2)c(-c2nnn[n-]2)c1 ZINC000822899397 583821204 /nfs/dbraw/zinc/82/12/04/583821204.db2.gz ISQYWZHZXTZZKD-UHFFFAOYSA-N -1 3 335.353 -0.713 20 0 EBADHM NS(=O)(=O)c1ccc(NCCc2nnc[nH]2)c(-c2nn[n-]n2)c1 ZINC000822899397 583821205 /nfs/dbraw/zinc/82/12/05/583821205.db2.gz ISQYWZHZXTZZKD-UHFFFAOYSA-N -1 3 335.353 -0.713 20 0 EBADHM O=C(CNc1ccc(-c2nnn[n-]2)cc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000823009379 583822846 /nfs/dbraw/zinc/82/28/46/583822846.db2.gz FQXNONDRVADGSG-LBPRGKRZSA-N -1 3 342.363 -0.485 20 0 EBADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000823009379 583822849 /nfs/dbraw/zinc/82/28/49/583822849.db2.gz FQXNONDRVADGSG-LBPRGKRZSA-N -1 3 342.363 -0.485 20 0 EBADHM O=C(N1CCOCC1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823139276 583825873 /nfs/dbraw/zinc/82/58/73/583825873.db2.gz BLKRZRLMPGHZLF-UHFFFAOYSA-N -1 3 344.379 -0.164 20 0 EBADHM O=C(N1CCOCC1)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823139276 583825875 /nfs/dbraw/zinc/82/58/75/583825875.db2.gz BLKRZRLMPGHZLF-UHFFFAOYSA-N -1 3 344.379 -0.164 20 0 EBADHM O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823165817 583825972 /nfs/dbraw/zinc/82/59/72/583825972.db2.gz ALRMGTNPDVZSNM-CYBMUJFWSA-N -1 3 332.364 -0.710 20 0 EBADHM O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823165817 583825974 /nfs/dbraw/zinc/82/59/74/583825974.db2.gz ALRMGTNPDVZSNM-CYBMUJFWSA-N -1 3 332.364 -0.710 20 0 EBADHM O=C(NC[C@H](O)CN1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823165818 583825983 /nfs/dbraw/zinc/82/59/83/583825983.db2.gz ALRMGTNPDVZSNM-ZDUSSCGKSA-N -1 3 332.364 -0.710 20 0 EBADHM O=C(NC[C@H](O)CN1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823165818 583825986 /nfs/dbraw/zinc/82/59/86/583825986.db2.gz ALRMGTNPDVZSNM-ZDUSSCGKSA-N -1 3 332.364 -0.710 20 0 EBADHM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cnn(-c2ccncc2)c1 ZINC000823136174 583826012 /nfs/dbraw/zinc/82/60/12/583826012.db2.gz NHSJJWHQMUZXOY-UHFFFAOYSA-N -1 3 337.307 -0.322 20 0 EBADHM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cnn(-c2ccncc2)c1 ZINC000823136174 583826013 /nfs/dbraw/zinc/82/60/13/583826013.db2.gz NHSJJWHQMUZXOY-UHFFFAOYSA-N -1 3 337.307 -0.322 20 0 EBADHM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823151300 583826031 /nfs/dbraw/zinc/82/60/31/583826031.db2.gz YZYVABNFNGKPEH-LLVKDONJSA-N -1 3 345.363 -0.296 20 0 EBADHM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823151300 583826032 /nfs/dbraw/zinc/82/60/32/583826032.db2.gz YZYVABNFNGKPEH-LLVKDONJSA-N -1 3 345.363 -0.296 20 0 EBADHM O=C(NCCCN1CCCS1(=O)=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823190616 583826223 /nfs/dbraw/zinc/82/62/23/583826223.db2.gz AEUNPMWSLULDTO-UHFFFAOYSA-N -1 3 339.381 -0.650 20 0 EBADHM O=C(NCCCN1CCCS1(=O)=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823190616 583826225 /nfs/dbraw/zinc/82/62/25/583826225.db2.gz AEUNPMWSLULDTO-UHFFFAOYSA-N -1 3 339.381 -0.650 20 0 EBADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCCNC1=O ZINC000823359739 583828408 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-0.317 20 0 EBADHM COC[C@](C)(O)CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826148226 583883295 /nfs/dbraw/zinc/88/32/95/583883295.db2.gz CQBSGFBLJIYQQY-CYBMUJFWSA-N -1 3 341.393 -0.317 20 0 EBADHM COC[C@@](C)(NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000826149013 583883460 /nfs/dbraw/zinc/88/34/60/583883460.db2.gz XFVUFKXYUDRAAA-IAQYHMDHSA-N -1 3 349.347 -0.406 20 0 EBADHM COC[C@@](C)(NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000826149013 583883463 /nfs/dbraw/zinc/88/34/63/583883463.db2.gz XFVUFKXYUDRAAA-IAQYHMDHSA-N -1 3 349.347 -0.406 20 0 EBADHM COC[C@@H](CCO)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826149309 583883519 /nfs/dbraw/zinc/88/35/19/583883519.db2.gz FFUNSFXHFOPJPI-MRVPVSSYSA-N -1 3 345.356 -0.319 20 0 EBADHM COC[C@@H](CCO)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826149309 583883521 /nfs/dbraw/zinc/88/35/21/583883521.db2.gz FFUNSFXHFOPJPI-MRVPVSSYSA-N -1 3 345.356 -0.319 20 0 EBADHM COC[C@H](CCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826149920 583883815 /nfs/dbraw/zinc/88/38/15/583883815.db2.gz RUKUBCWAJMFYDB-NSHDSACASA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@H](CCO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826149920 583883817 /nfs/dbraw/zinc/88/38/17/583883817.db2.gz RUKUBCWAJMFYDB-NSHDSACASA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@@H](CCO)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826149673 583883909 /nfs/dbraw/zinc/88/39/09/583883909.db2.gz MPBDIWUIDKRNJM-SNVBAGLBSA-N -1 3 327.366 -0.458 20 0 EBADHM COC[C@@H](CCO)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826149673 583883910 /nfs/dbraw/zinc/88/39/10/583883910.db2.gz MPBDIWUIDKRNJM-SNVBAGLBSA-N -1 3 327.366 -0.458 20 0 EBADHM COC[C@@H](CCO)NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826149541 583883921 /nfs/dbraw/zinc/88/39/21/583883921.db2.gz JWYPDHMLNYNBPB-LLVKDONJSA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@@H](CCO)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826149541 583883922 /nfs/dbraw/zinc/88/39/22/583883922.db2.gz JWYPDHMLNYNBPB-LLVKDONJSA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@@H](N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000826150315 583884134 /nfs/dbraw/zinc/88/41/34/583884134.db2.gz BAQBVYMVEVOFLZ-MNOVXSKESA-N -1 3 334.336 -0.829 20 0 EBADHM COC[C@@H](N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000826150315 583884135 /nfs/dbraw/zinc/88/41/35/583884135.db2.gz BAQBVYMVEVOFLZ-MNOVXSKESA-N -1 3 334.336 -0.829 20 0 EBADHM COC[C@H](N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000826150316 583884205 /nfs/dbraw/zinc/88/42/05/583884205.db2.gz BAQBVYMVEVOFLZ-QWRGUYRKSA-N -1 3 334.336 -0.829 20 0 EBADHM COC[C@H](N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000826150316 583884207 /nfs/dbraw/zinc/88/42/07/583884207.db2.gz BAQBVYMVEVOFLZ-QWRGUYRKSA-N -1 3 334.336 -0.829 20 0 EBADHM COC[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC000826151293 583884215 /nfs/dbraw/zinc/88/42/15/583884215.db2.gz YMLGETLVGZJDEI-NSHDSACASA-N -1 3 335.320 -0.450 20 0 EBADHM COC[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC000826151293 583884217 /nfs/dbraw/zinc/88/42/17/583884217.db2.gz YMLGETLVGZJDEI-NSHDSACASA-N -1 3 335.320 -0.450 20 0 EBADHM COC[C@H](O)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826151917 583884765 /nfs/dbraw/zinc/88/47/65/583884765.db2.gz MINBXQGCKJPOFR-KCJUWKMLSA-N -1 3 335.320 -0.256 20 0 EBADHM COC[C@H](O)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826151917 583884766 /nfs/dbraw/zinc/88/47/66/583884766.db2.gz MINBXQGCKJPOFR-KCJUWKMLSA-N -1 3 335.320 -0.256 20 0 EBADHM COCC[C@@](C)(O)CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826153349 583885204 /nfs/dbraw/zinc/88/52/04/583885204.db2.gz KXWOQJWWVVGREX-IUODEOHRSA-N -1 3 335.364 -0.196 20 0 EBADHM COCC[C@@](C)(O)CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826153349 583885207 /nfs/dbraw/zinc/88/52/07/583885207.db2.gz KXWOQJWWVVGREX-IUODEOHRSA-N -1 3 335.364 -0.196 20 0 EBADHM COCC[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826154185 583885279 /nfs/dbraw/zinc/88/52/79/583885279.db2.gz KBKWBUDRVDJJRW-LBPRGKRZSA-N -1 3 332.364 -0.194 20 0 EBADHM COCC[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826154185 583885281 /nfs/dbraw/zinc/88/52/81/583885281.db2.gz KBKWBUDRVDJJRW-LBPRGKRZSA-N -1 3 332.364 -0.194 20 0 EBADHM COCC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826154428 583885384 /nfs/dbraw/zinc/88/53/84/583885384.db2.gz PFHDJGWWHHHHCW-SYTKJHMZSA-N -1 3 330.348 -0.114 20 0 EBADHM COCC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826154428 583885387 /nfs/dbraw/zinc/88/53/87/583885387.db2.gz PFHDJGWWHHHHCW-SYTKJHMZSA-N -1 3 330.348 -0.114 20 0 EBADHM COCCCOCC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000826156610 583885407 /nfs/dbraw/zinc/88/54/07/583885407.db2.gz LYDIIZUNCKPLTO-UHFFFAOYSA-N -1 3 325.329 -0.758 20 0 EBADHM COCCCOCC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000826156610 583885410 /nfs/dbraw/zinc/88/54/10/583885410.db2.gz LYDIIZUNCKPLTO-UHFFFAOYSA-N -1 3 325.329 -0.758 20 0 EBADHM COCCN(CCO)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826158197 583885931 /nfs/dbraw/zinc/88/59/31/583885931.db2.gz FJJLBVUHVMGISS-UHFFFAOYSA-N -1 3 327.366 -0.504 20 0 EBADHM COCCN(CCO)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826158197 583885933 /nfs/dbraw/zinc/88/59/33/583885933.db2.gz FJJLBVUHVMGISS-UHFFFAOYSA-N -1 3 327.366 -0.504 20 0 EBADHM COCCN(C)CCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826158058 583885995 /nfs/dbraw/zinc/88/59/95/583885995.db2.gz YHFUKDPJDHPCGY-ZDUSSCGKSA-N -1 3 334.380 -0.406 20 0 EBADHM COCCOC1CN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826160379 583886204 /nfs/dbraw/zinc/88/62/04/583886204.db2.gz PNBXQKKJUFPFAL-ZDUSSCGKSA-N -1 3 333.348 -0.226 20 0 EBADHM COCCOC1CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826160379 583886206 /nfs/dbraw/zinc/88/62/06/583886206.db2.gz PNBXQKKJUFPFAL-ZDUSSCGKSA-N -1 3 333.348 -0.226 20 0 EBADHM COc1ccc(CNC(=O)N[C@@H]2CCN(C)C2=O)cc1-c1nnn[n-]1 ZINC000826199245 583887717 /nfs/dbraw/zinc/88/77/17/583887717.db2.gz UABKDPQBLOSKFZ-LLVKDONJSA-N -1 3 345.363 -0.095 20 0 EBADHM COc1ccc(CNC(=O)N[C@@H]2CCN(C)C2=O)cc1-c1nn[n-]n1 ZINC000826199245 583887718 /nfs/dbraw/zinc/88/77/18/583887718.db2.gz UABKDPQBLOSKFZ-LLVKDONJSA-N -1 3 345.363 -0.095 20 0 EBADHM COc1ccc(CNC(=O)CS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826197644 583887749 /nfs/dbraw/zinc/88/77/49/583887749.db2.gz XUKSVVVHAWNAJC-UHFFFAOYSA-N -1 3 325.350 -0.464 20 0 EBADHM C[S@](=O)CCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826224335 583888541 /nfs/dbraw/zinc/88/85/41/583888541.db2.gz AKWJIHPWFLGBFF-FQEVSTJZSA-N -1 3 329.407 -0.086 20 0 EBADHM C[S@](=O)CCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826224335 583888543 /nfs/dbraw/zinc/88/85/43/583888543.db2.gz AKWJIHPWFLGBFF-FQEVSTJZSA-N -1 3 329.407 -0.086 20 0 EBADHM C[S@@](=O)CCN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000826224809 583888857 /nfs/dbraw/zinc/88/88/57/583888857.db2.gz MISBTOCFKRKZSO-HSZRJFAPSA-N -1 3 337.409 -0.669 20 0 EBADHM C[S@@](=O)CCN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000826224809 583888859 /nfs/dbraw/zinc/88/88/59/583888859.db2.gz MISBTOCFKRKZSO-HSZRJFAPSA-N -1 3 337.409 -0.669 20 0 EBADHM Cc1c(Cl)cnc(N2CCN3C(=O)NC(=O)[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826238593 583889411 /nfs/dbraw/zinc/88/94/11/583889411.db2.gz KBQZIJLTUNUPFD-QMMMGPOBSA-N -1 3 348.754 -0.036 20 0 EBADHM Cc1c(Cl)cnc(N2CCN3C(=O)NC(=O)[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826238593 583889414 /nfs/dbraw/zinc/88/94/14/583889414.db2.gz KBQZIJLTUNUPFD-QMMMGPOBSA-N -1 3 348.754 -0.036 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000826247699 583889503 /nfs/dbraw/zinc/88/95/03/583889503.db2.gz LHJHRWTYMIRLQU-ZYHUDNBSSA-N -1 3 330.348 -0.062 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000826247699 583889505 /nfs/dbraw/zinc/88/95/05/583889505.db2.gz LHJHRWTYMIRLQU-ZYHUDNBSSA-N -1 3 330.348 -0.062 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000826245326 583889582 /nfs/dbraw/zinc/88/95/82/583889582.db2.gz UWIIAUUELIZGOP-HNNXBMFYSA-N -1 3 341.331 -0.401 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000826245326 583889584 /nfs/dbraw/zinc/88/95/84/583889584.db2.gz UWIIAUUELIZGOP-HNNXBMFYSA-N -1 3 341.331 -0.401 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCNS(C)(=O)=O ZINC000826248567 583889796 /nfs/dbraw/zinc/88/97/96/583889796.db2.gz NYYGFKPXSCEIMC-UHFFFAOYSA-N -1 3 338.393 -0.156 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCNS(C)(=O)=O ZINC000826248567 583889799 /nfs/dbraw/zinc/88/97/99/583889799.db2.gz NYYGFKPXSCEIMC-UHFFFAOYSA-N -1 3 338.393 -0.156 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@]1(O)CCOC1 ZINC000826276962 583890367 /nfs/dbraw/zinc/89/03/67/583890367.db2.gz DTCJNMNZJGVOHE-OAHLLOKOSA-N -1 3 346.347 -0.619 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@]1(O)CCOC1 ZINC000826276962 583890370 /nfs/dbraw/zinc/89/03/70/583890370.db2.gz DTCJNMNZJGVOHE-OAHLLOKOSA-N -1 3 346.347 -0.619 20 0 EBADHM Cc1nn(-c2ccccc2)c(CN2C[C@@H](O)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC000826332460 583891848 /nfs/dbraw/zinc/89/18/48/583891848.db2.gz VGYNHGBNJDQVJD-OKILXGFUSA-N -1 3 341.375 -0.102 20 0 EBADHM 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Cc1nc2n(n1)C[C@@H](NC(=O)c1cc(-c3nnn[n-]3)cn1C)CC2 ZINC000822462068 583811285 /nfs/dbraw/zinc/81/12/85/583811285.db2.gz DCWBWZJYKVRJCV-JTQLQIEISA-N -1 3 327.352 -0.150 20 0 EBADHM Cc1nc2n(n1)C[C@@H](NC(=O)c1cc(-c3nn[n-]n3)cn1C)CC2 ZINC000822462068 583811286 /nfs/dbraw/zinc/81/12/86/583811286.db2.gz DCWBWZJYKVRJCV-JTQLQIEISA-N -1 3 327.352 -0.150 20 0 EBADHM Cc1nccn1[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000822478596 583811298 /nfs/dbraw/zinc/81/12/98/583811298.db2.gz URPASALYLBMIJN-LLVKDONJSA-N -1 3 342.367 -0.173 20 0 EBADHM Cc1nnc(N(C)C[C@H](O)CN2CCOCC2)c(-c2nnn[n-]2)c1C ZINC000822509567 583811605 /nfs/dbraw/zinc/81/16/05/583811605.db2.gz BCCLNHBFYUETRE-LBPRGKRZSA-N -1 3 348.411 -0.597 20 0 EBADHM Cc1nnc(N(C)C[C@H](O)CN2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000822509567 583811607 /nfs/dbraw/zinc/81/16/07/583811607.db2.gz BCCLNHBFYUETRE-LBPRGKRZSA-N -1 3 348.411 -0.597 20 0 EBADHM Cc1nnc2n1C[C@H](NC(=O)c1cc(-c3nnn[n-]3)cn1C)CC2 ZINC000822515428 583811618 /nfs/dbraw/zinc/81/16/18/583811618.db2.gz MCVJEXPGGQKKQB-SNVBAGLBSA-N -1 3 327.352 -0.150 20 0 EBADHM Cc1nnc2n1C[C@H](NC(=O)c1cc(-c3nn[n-]n3)cn1C)CC2 ZINC000822515428 583811620 /nfs/dbraw/zinc/81/16/20/583811620.db2.gz MCVJEXPGGQKKQB-SNVBAGLBSA-N -1 3 327.352 -0.150 20 0 EBADHM Cc1oc(NC(=O)[C@H](C)N2C[C@@H](O)[C@@H](O)C2)c(-c2nnn[n-]2)c1C ZINC000822541655 583811970 /nfs/dbraw/zinc/81/19/70/583811970.db2.gz PEFMADNEFBDXMN-UJNFCWOMSA-N -1 3 336.352 -0.559 20 0 EBADHM Cc1oc(NC(=O)CN2CCO[C@H](CO)C2)c(-c2nnn[n-]2)c1C ZINC000822548825 583812402 /nfs/dbraw/zinc/81/24/02/583812402.db2.gz ORRWUIOBXFRYJG-JTQLQIEISA-N -1 3 336.352 -0.292 20 0 EBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000822641607 583815435 /nfs/dbraw/zinc/81/54/35/583815435.db2.gz SQZAIYFPYWPKKA-UHFFFAOYSA-N -1 3 338.393 -0.240 20 0 EBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000822641607 583815438 /nfs/dbraw/zinc/81/54/38/583815438.db2.gz SQZAIYFPYWPKKA-UHFFFAOYSA-N -1 3 338.393 -0.240 20 0 EBADHM Cn1ccnc1N1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000822632329 583815512 /nfs/dbraw/zinc/81/55/12/583815512.db2.gz VBPXGQZIETXOGE-UHFFFAOYSA-N -1 3 341.379 -0.099 20 0 EBADHM Cn1ccnc1N1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000822632329 583815515 /nfs/dbraw/zinc/81/55/15/583815515.db2.gz VBPXGQZIETXOGE-UHFFFAOYSA-N -1 3 341.379 -0.099 20 0 EBADHM Cn1cc([C@H](O)CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822669099 583815989 /nfs/dbraw/zinc/81/59/89/583815989.db2.gz GEWCLYRTIPWGOE-CYBMUJFWSA-N -1 3 327.348 -0.008 20 0 EBADHM Cn1cc([C@H](O)CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822669099 583815990 /nfs/dbraw/zinc/81/59/90/583815990.db2.gz GEWCLYRTIPWGOE-CYBMUJFWSA-N -1 3 327.348 -0.008 20 0 EBADHM Cn1ncc2c1nnn(C[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)c2=O ZINC000822709544 583816769 /nfs/dbraw/zinc/81/67/69/583816769.db2.gz NKIRVRJXBCFXOR-LLVKDONJSA-N -1 3 339.319 -0.561 20 0 EBADHM Cn1ncc2c1nnn(C[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)c2=O ZINC000822709544 583816771 /nfs/dbraw/zinc/81/67/71/583816771.db2.gz NKIRVRJXBCFXOR-LLVKDONJSA-N -1 3 339.319 -0.561 20 0 EBADHM Cn1[nH]cnc1=NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822713896 583817029 /nfs/dbraw/zinc/81/70/29/583817029.db2.gz AZFGVGXZROKRLZ-UHFFFAOYSA-N -1 3 340.756 -0.129 20 0 EBADHM Cn1[nH]cnc1=NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822713896 583817031 /nfs/dbraw/zinc/81/70/31/583817031.db2.gz AZFGVGXZROKRLZ-UHFFFAOYSA-N -1 3 340.756 -0.129 20 0 EBADHM NC(=O)C1(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000822850389 583818788 /nfs/dbraw/zinc/81/87/88/583818788.db2.gz GDMSEWASYQTAPQ-UHFFFAOYSA-N -1 3 344.375 -0.193 20 0 EBADHM NC(=O)C1(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000822850389 583818789 /nfs/dbraw/zinc/81/87/89/583818789.db2.gz GDMSEWASYQTAPQ-UHFFFAOYSA-N -1 3 344.375 -0.193 20 0 EBADHM NC(=O)C[C@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000822864922 583819622 /nfs/dbraw/zinc/81/96/22/583819622.db2.gz PBRWLPRGLVICHK-QMTHXVAHSA-N -1 3 343.391 -0.020 20 0 EBADHM NC(=O)C[C@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822864922 583819625 /nfs/dbraw/zinc/81/96/25/583819625.db2.gz PBRWLPRGLVICHK-QMTHXVAHSA-N -1 3 343.391 -0.020 20 0 EBADHM NC(=O)CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822864679 583819901 /nfs/dbraw/zinc/81/99/01/583819901.db2.gz HZYLFQQCAUWYHZ-UHFFFAOYSA-N -1 3 329.364 -0.173 20 0 EBADHM NC(=O)CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822864679 583819903 /nfs/dbraw/zinc/81/99/03/583819903.db2.gz HZYLFQQCAUWYHZ-UHFFFAOYSA-N -1 3 329.364 -0.173 20 0 EBADHM NC(=O)NC(=O)CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822873490 583820164 /nfs/dbraw/zinc/82/01/64/583820164.db2.gz CGFYTGZUGKEKCO-UHFFFAOYSA-N -1 3 349.376 -0.340 20 0 EBADHM NC(=O)NC(=O)CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822873490 583820165 /nfs/dbraw/zinc/82/01/65/583820165.db2.gz CGFYTGZUGKEKCO-UHFFFAOYSA-N -1 3 349.376 -0.340 20 0 EBADHM NC(=O)NC(=O)CCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822873837 583820171 /nfs/dbraw/zinc/82/01/71/583820171.db2.gz MBIMOBIMNQHSCM-UHFFFAOYSA-N -1 3 339.262 -0.540 20 0 EBADHM NC(=O)NC(=O)CCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822873837 583820172 /nfs/dbraw/zinc/82/01/72/583820172.db2.gz MBIMOBIMNQHSCM-UHFFFAOYSA-N -1 3 339.262 -0.540 20 0 EBADHM NS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000822894676 583820926 /nfs/dbraw/zinc/82/09/26/583820926.db2.gz FBBKUUQKLMWENY-SNVBAGLBSA-N -1 3 326.357 -0.131 20 0 EBADHM NS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000822894676 583820928 /nfs/dbraw/zinc/82/09/28/583820928.db2.gz FBBKUUQKLMWENY-SNVBAGLBSA-N -1 3 326.357 -0.131 20 0 EBADHM NC(=O)c1nccnc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822890567 583820946 /nfs/dbraw/zinc/82/09/46/583820946.db2.gz XMLAIWDMEHGVDJ-UHFFFAOYSA-N -1 3 342.294 -0.175 20 0 EBADHM NC(=O)c1nccnc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822890567 583820948 /nfs/dbraw/zinc/82/09/48/583820948.db2.gz XMLAIWDMEHGVDJ-UHFFFAOYSA-N -1 3 342.294 -0.175 20 0 EBADHM NS(=O)(=O)CCCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822895343 583821158 /nfs/dbraw/zinc/82/11/58/583821158.db2.gz OZZPXTNHPQAVBT-UHFFFAOYSA-N -1 3 346.319 -0.447 20 0 EBADHM NS(=O)(=O)CCCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822895343 583821160 /nfs/dbraw/zinc/82/11/60/583821160.db2.gz OZZPXTNHPQAVBT-UHFFFAOYSA-N -1 3 346.319 -0.447 20 0 EBADHM NS(=O)(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000822895557 583821247 /nfs/dbraw/zinc/82/12/47/583821247.db2.gz STMRRWCCINDRPM-UHFFFAOYSA-N -1 3 327.345 -0.669 20 0 EBADHM NS(=O)(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822895557 583821250 /nfs/dbraw/zinc/82/12/50/583821250.db2.gz STMRRWCCINDRPM-UHFFFAOYSA-N -1 3 327.345 -0.669 20 0 EBADHM O=C(CN1CC(=O)NC1=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822991344 583822214 /nfs/dbraw/zinc/82/22/14/583822214.db2.gz ASRATEBNCYEBEC-UHFFFAOYSA-N -1 3 333.283 -0.826 20 0 EBADHM O=C(CN1CCN2C(=O)OC[C@@H]2C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823001018 583822595 /nfs/dbraw/zinc/82/25/95/583822595.db2.gz HZZBYDZPIACPHO-LBPRGKRZSA-N -1 3 343.347 -0.058 20 0 EBADHM O=C(CN1CCN2C(=O)OC[C@@H]2C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823001018 583822597 /nfs/dbraw/zinc/82/25/97/583822597.db2.gz HZZBYDZPIACPHO-LBPRGKRZSA-N -1 3 343.347 -0.058 20 0 EBADHM O=C(CN1CCO[C@@H](CO)C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823000645 583822614 /nfs/dbraw/zinc/82/26/14/583822614.db2.gz CCDXRLLNUFHOHD-CYBMUJFWSA-N -1 3 332.364 -0.824 20 0 EBADHM O=C(CN1CCO[C@@H](CO)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823000645 583822617 /nfs/dbraw/zinc/82/26/17/583822617.db2.gz CCDXRLLNUFHOHD-CYBMUJFWSA-N -1 3 332.364 -0.824 20 0 EBADHM O=C(CNc1ccc(-c2nnn[n-]2)cc1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823009409 583822812 /nfs/dbraw/zinc/82/28/12/583822812.db2.gz HGLNNKPDHKGTTB-LBPRGKRZSA-N -1 3 343.347 -0.058 20 0 EBADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823009409 583822815 /nfs/dbraw/zinc/82/28/15/583822815.db2.gz HGLNNKPDHKGTTB-LBPRGKRZSA-N -1 3 343.347 -0.058 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCC1(CO)CC1 ZINC000823005635 583822854 /nfs/dbraw/zinc/82/28/54/583822854.db2.gz ZOMRCOWDMQSSDJ-UHFFFAOYSA-N -1 3 330.348 -0.515 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCC1(CO)CC1 ZINC000823005635 583822857 /nfs/dbraw/zinc/82/28/57/583822857.db2.gz ZOMRCOWDMQSSDJ-UHFFFAOYSA-N -1 3 330.348 -0.515 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC1=CC=NCC1=O ZINC000823005429 583822944 /nfs/dbraw/zinc/82/29/44/583822944.db2.gz QQGZFBBCIDXHJZ-UHFFFAOYSA-N -1 3 339.315 -0.242 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC1=CC=NCC1=O ZINC000823005429 583822945 /nfs/dbraw/zinc/82/29/45/583822945.db2.gz QQGZFBBCIDXHJZ-UHFFFAOYSA-N -1 3 339.315 -0.242 20 0 EBADHM O=C(Cc1cc[nH]n1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823114999 583824302 /nfs/dbraw/zinc/82/43/02/583824302.db2.gz HDSFGLQVAINNMJ-UHFFFAOYSA-N -1 3 339.363 -0.124 20 0 EBADHM O=C(Cc1cc[nH]n1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823114999 583824305 /nfs/dbraw/zinc/82/43/05/583824305.db2.gz HDSFGLQVAINNMJ-UHFFFAOYSA-N -1 3 339.363 -0.124 20 0 EBADHM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000823122815 583824498 /nfs/dbraw/zinc/82/44/98/583824498.db2.gz ISXXAPJEYRTNTB-LLVKDONJSA-N -1 3 331.384 -0.455 20 0 EBADHM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000823122815 583824500 /nfs/dbraw/zinc/82/45/00/583824500.db2.gz ISXXAPJEYRTNTB-LLVKDONJSA-N -1 3 331.384 -0.455 20 0 EBADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCO[C@@H](CO)C1 ZINC000823202130 583826704 /nfs/dbraw/zinc/82/67/04/583826704.db2.gz QIVAFEABTNNLHK-LLVKDONJSA-N -1 3 348.367 -0.924 20 0 EBADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCO[C@@H](CO)C1 ZINC000823202130 583826705 /nfs/dbraw/zinc/82/67/05/583826705.db2.gz QIVAFEABTNNLHK-LLVKDONJSA-N -1 3 348.367 -0.924 20 0 EBADHM O=C(NCCn1cccn1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823229453 583827044 /nfs/dbraw/zinc/82/70/44/583827044.db2.gz SEHHTIHHDMKJCU-UHFFFAOYSA-N -1 3 326.320 -0.182 20 0 EBADHM O=C(NCCn1cccn1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823229453 583827046 /nfs/dbraw/zinc/82/70/46/583827046.db2.gz SEHHTIHHDMKJCU-UHFFFAOYSA-N -1 3 326.320 -0.182 20 0 EBADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](O)C1 ZINC000823338079 583828521 /nfs/dbraw/zinc/82/85/21/583828521.db2.gz XVNZCWWWQMJRHJ-SECBINFHSA-N -1 3 334.311 -0.072 20 0 EBADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](O)C1 ZINC000823338079 583828524 /nfs/dbraw/zinc/82/85/24/583828524.db2.gz XVNZCWWWQMJRHJ-SECBINFHSA-N -1 3 334.311 -0.072 20 0 EBADHM O=C(OCCN1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000823405174 583828800 /nfs/dbraw/zinc/82/88/00/583828800.db2.gz KFELKNCRGDUDOL-UHFFFAOYSA-N -1 3 338.349 -0.546 20 0 EBADHM O=C(OCCN1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000823405174 583828801 /nfs/dbraw/zinc/82/88/01/583828801.db2.gz KFELKNCRGDUDOL-UHFFFAOYSA-N -1 3 338.349 -0.546 20 0 EBADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(CCO)CCN1CCOCC1 ZINC000823478914 583829818 /nfs/dbraw/zinc/82/98/18/583829818.db2.gz WTACGDYEKDRJHO-UHFFFAOYSA-N -1 3 347.379 -0.972 20 0 EBADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(CCO)CCN1CCOCC1 ZINC000823478914 583829819 /nfs/dbraw/zinc/82/98/19/583829819.db2.gz WTACGDYEKDRJHO-UHFFFAOYSA-N -1 3 347.379 -0.972 20 0 EBADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCCNC(=O)C1 ZINC000823535868 583831215 /nfs/dbraw/zinc/83/12/15/583831215.db2.gz KJOMNOXMHRUQPP-UHFFFAOYSA-N -1 3 347.310 -0.707 20 0 EBADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCCNC(=O)C1 ZINC000823535868 583831217 /nfs/dbraw/zinc/83/12/17/583831217.db2.gz KJOMNOXMHRUQPP-UHFFFAOYSA-N -1 3 347.310 -0.707 20 0 EBADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1C1CC1 ZINC000823536216 583831800 /nfs/dbraw/zinc/83/18/00/583831800.db2.gz WFNPYMLAHGKFRL-UHFFFAOYSA-N -1 3 348.388 -0.138 20 0 EBADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1C1CC1 ZINC000823536216 583831801 /nfs/dbraw/zinc/83/18/01/583831801.db2.gz WFNPYMLAHGKFRL-UHFFFAOYSA-N -1 3 348.388 -0.138 20 0 EBADHM OCCN1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000823722701 583836142 /nfs/dbraw/zinc/83/61/42/583836142.db2.gz XLQFBOJHSBWMJE-UHFFFAOYSA-N -1 3 328.380 -0.376 20 0 EBADHM OCCN1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000823722701 583836145 /nfs/dbraw/zinc/83/61/45/583836145.db2.gz XLQFBOJHSBWMJE-UHFFFAOYSA-N -1 3 328.380 -0.376 20 0 EBADHM c1nc2n(n1)CCC[C@@H]2NC[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000823820768 583837788 /nfs/dbraw/zinc/83/77/88/583837788.db2.gz KYRWJVXDQAAMSU-ONGXEEELSA-N -1 3 341.383 -0.179 20 0 EBADHM c1nc2n(n1)CCC[C@@H]2NC[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000823820768 583837791 /nfs/dbraw/zinc/83/77/91/583837791.db2.gz KYRWJVXDQAAMSU-ONGXEEELSA-N -1 3 341.383 -0.179 20 0 EBADHM CC(=O)N1CCOC[C@@H]1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823981772 583839872 /nfs/dbraw/zinc/83/98/72/583839872.db2.gz RBXBCHWLKSQRPC-CYBMUJFWSA-N -1 3 348.338 -0.131 20 0 EBADHM CC(=O)N1CCOC[C@@H]1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823981772 583839874 /nfs/dbraw/zinc/83/98/74/583839874.db2.gz RBXBCHWLKSQRPC-CYBMUJFWSA-N -1 3 348.338 -0.131 20 0 EBADHM C[C@H](C(N)=O)N(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824051991 583840625 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Cc1ccc(-c2nn[n-]n2)c(N2CCN(CC(=O)N(C)C)CC2)n1 ZINC000826275212 583890264 /nfs/dbraw/zinc/89/02/64/583890264.db2.gz SCVXTPMIFNEOHW-UHFFFAOYSA-N -1 3 330.396 -0.220 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000826277306 583890492 /nfs/dbraw/zinc/89/04/92/583890492.db2.gz QHSKASWNVYPMFU-CABZTGNLSA-N -1 3 330.348 -0.047 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000826277306 583890494 /nfs/dbraw/zinc/89/04/94/583890494.db2.gz QHSKASWNVYPMFU-CABZTGNLSA-N -1 3 330.348 -0.047 20 0 EBADHM Cc1cccc(S(=O)(=O)NCCC(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826303117 583890758 /nfs/dbraw/zinc/89/07/58/583890758.db2.gz APTKXEDNHBZGRP-UHFFFAOYSA-N -1 3 338.393 -0.068 20 0 EBADHM Cc1cccc(S(=O)(=O)NCCC(=O)N(C)C)c1-c1nn[n-]n1 ZINC000826303117 583890761 /nfs/dbraw/zinc/89/07/61/583890761.db2.gz APTKXEDNHBZGRP-UHFFFAOYSA-N -1 3 338.393 -0.068 20 0 EBADHM Cc1cccc(S(=O)(=O)NC[C@H]2COCCO2)c1-c1nnn[n-]1 ZINC000826303593 583890817 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ZJEKTPIWIAGPSS-UHFFFAOYSA-N -1 3 329.360 -0.031 20 0 EBADHM COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000732340053 582847655 /nfs/dbraw/zinc/84/76/55/582847655.db2.gz WEHTWNDBPSKQED-ZETCQYMHSA-N -1 3 334.284 -0.595 20 0 EBADHM C[C@@H](NC(=O)COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)N(C)C ZINC000732340632 582847717 /nfs/dbraw/zinc/84/77/17/582847717.db2.gz XIVKEOOKDRBSSG-MRVPVSSYSA-N -1 3 347.327 -0.680 20 0 EBADHM CC(=O)Nc1ccc(NC(=O)COC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000732355145 582848105 /nfs/dbraw/zinc/84/81/05/582848105.db2.gz DYAIMFDFSOCZBY-UHFFFAOYSA-N -1 3 348.315 -0.322 20 0 EBADHM CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)CN1CC(=O)[N-]C1=O ZINC000732357257 582848630 /nfs/dbraw/zinc/84/86/30/582848630.db2.gz RVHYPCGUSZFEGE-VIFPVBQESA-N -1 3 337.336 -0.114 20 0 EBADHM O=C(COC(=O)CN1CC(=O)[N-]C1=O)NC[C@H]1Cc2ccccc2O1 ZINC000732358394 582848635 /nfs/dbraw/zinc/84/86/35/582848635.db2.gz XYYFPDZEGPTQTR-LLVKDONJSA-N -1 3 347.327 -0.799 20 0 EBADHM COc1ccc(CC(=O)[N-]OCc2nc(N)nc(N)n2)cc1OC ZINC000732806806 582853921 /nfs/dbraw/zinc/85/39/21/582853921.db2.gz XCPKXYVFGRSDPU-UHFFFAOYSA-N -1 3 334.336 -0.156 20 0 EBADHM CC(C)OC(=O)N1CCC(NC(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000733001858 582855362 /nfs/dbraw/zinc/85/53/62/582855362.db2.gz RNFNXOUMMNJQNQ-UHFFFAOYSA-N -1 3 326.353 -0.336 20 0 EBADHM Cn1nnnc1COC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000733415848 582860940 /nfs/dbraw/zinc/86/09/40/582860940.db2.gz ONZDCRFXTCJXHI-UHFFFAOYSA-N -1 3 331.379 -0.317 20 0 EBADHM NC(=O)C1(NC(=O)C[N-]S(=O)(=O)c2cccs2)CCCC1 ZINC000733781543 582867401 /nfs/dbraw/zinc/86/74/01/582867401.db2.gz YGJFTYCOOIHDDO-UHFFFAOYSA-N -1 3 331.419 -0.059 20 0 EBADHM C[S@@](=O)CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000735083226 582887429 /nfs/dbraw/zinc/88/74/29/582887429.db2.gz UMYUGWINTDZUNN-QGZVFWFLSA-N -1 3 325.433 -0.253 20 0 EBADHM CC(=O)NC[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000735472817 582895835 /nfs/dbraw/zinc/89/58/35/582895835.db2.gz AJRIRUQYQSEODJ-CQSZACIVSA-N -1 3 344.375 -0.227 20 0 EBADHM CC(=O)NC[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000735472817 582895836 /nfs/dbraw/zinc/89/58/36/582895836.db2.gz AJRIRUQYQSEODJ-CQSZACIVSA-N -1 3 344.375 -0.227 20 0 EBADHM CC(C)C(=O)NCCN[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735685227 582904439 /nfs/dbraw/zinc/90/44/39/582904439.db2.gz RWDIJAVGSJOPMY-GFCCVEGCSA-N -1 3 331.380 -0.245 20 0 EBADHM CC(C)C(=O)NCCN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735685227 582904440 /nfs/dbraw/zinc/90/44/40/582904440.db2.gz RWDIJAVGSJOPMY-GFCCVEGCSA-N -1 3 331.380 -0.245 20 0 EBADHM CC(C)NC(=O)CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735884091 582909258 /nfs/dbraw/zinc/90/92/58/582909258.db2.gz IHAWYQZZZWVPJI-UHFFFAOYSA-N -1 3 345.363 -0.763 20 0 EBADHM CC(C)NC(=O)CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735884091 582909260 /nfs/dbraw/zinc/90/92/60/582909260.db2.gz IHAWYQZZZWVPJI-UHFFFAOYSA-N -1 3 345.363 -0.763 20 0 EBADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCNC1=O ZINC000736159738 582922119 /nfs/dbraw/zinc/92/21/19/582922119.db2.gz OHMPBGLCSYFFKA-QMMMGPOBSA-N -1 3 330.304 -0.036 20 0 EBADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCNC1=O ZINC000736159738 582922121 /nfs/dbraw/zinc/92/21/21/582922121.db2.gz OHMPBGLCSYFFKA-QMMMGPOBSA-N -1 3 330.304 -0.036 20 0 EBADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCN(C)C1=O ZINC000736167753 582922414 /nfs/dbraw/zinc/92/24/14/582922414.db2.gz GHUPFUPICIDDAN-SKDRFNHKSA-N -1 3 330.348 -0.019 20 0 EBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCN(C)C1=O ZINC000736167753 582922416 /nfs/dbraw/zinc/92/24/16/582922416.db2.gz GHUPFUPICIDDAN-SKDRFNHKSA-N -1 3 330.348 -0.019 20 0 EBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCNC(=O)[C@H]1C ZINC000736185261 582923215 /nfs/dbraw/zinc/92/32/15/582923215.db2.gz UJOUHNGDPOKSDA-ZJUUUORDSA-N -1 3 330.348 -0.019 20 0 EBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCNC(=O)[C@H]1C ZINC000736185261 582923217 /nfs/dbraw/zinc/92/32/17/582923217.db2.gz UJOUHNGDPOKSDA-ZJUUUORDSA-N -1 3 330.348 -0.019 20 0 EBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCN(C(N)=O)C1 ZINC000736182864 582923331 /nfs/dbraw/zinc/92/33/31/582923331.db2.gz GUNVTKJINGXMKI-UWVGGRQHSA-N -1 3 345.363 -0.097 20 0 EBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCN(C(N)=O)C1 ZINC000736182864 582923334 /nfs/dbraw/zinc/92/33/34/582923334.db2.gz GUNVTKJINGXMKI-UWVGGRQHSA-N -1 3 345.363 -0.097 20 0 EBADHM C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736227435 582925996 /nfs/dbraw/zinc/92/59/96/582925996.db2.gz DIXNXEMAUWWPCD-ZETCQYMHSA-N -1 3 340.340 -0.485 20 0 EBADHM CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736305260 582929527 /nfs/dbraw/zinc/92/95/27/582929527.db2.gz SMCDJFUCTDOMOR-SNVBAGLBSA-N -1 3 333.377 -0.066 20 0 EBADHM CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736305260 582929530 /nfs/dbraw/zinc/92/95/30/582929530.db2.gz SMCDJFUCTDOMOR-SNVBAGLBSA-N -1 3 333.377 -0.066 20 0 EBADHM CCCNC(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736484408 582935948 /nfs/dbraw/zinc/93/59/48/582935948.db2.gz YSUGGHDHHXFBRA-UHFFFAOYSA-N -1 3 346.347 -0.334 20 0 EBADHM CCCNC(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736484408 582935951 /nfs/dbraw/zinc/93/59/51/582935951.db2.gz YSUGGHDHHXFBRA-UHFFFAOYSA-N -1 3 346.347 -0.334 20 0 EBADHM CCNC(=O)CN1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000736573619 582943391 /nfs/dbraw/zinc/94/33/91/582943391.db2.gz LKBHEFGMFJZGEW-UHFFFAOYSA-N -1 3 330.396 -0.090 20 0 EBADHM CCNC(=O)CN1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736573619 582943394 /nfs/dbraw/zinc/94/33/94/582943394.db2.gz LKBHEFGMFJZGEW-UHFFFAOYSA-N -1 3 330.396 -0.090 20 0 EBADHM CCNC(=O)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736574118 582943582 /nfs/dbraw/zinc/94/35/82/582943582.db2.gz OIZDPMADNQBFDI-UHFFFAOYSA-N -1 3 342.356 -0.238 20 0 EBADHM CCNC(=O)CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736574118 582943583 /nfs/dbraw/zinc/94/35/83/582943583.db2.gz OIZDPMADNQBFDI-UHFFFAOYSA-N -1 3 342.356 -0.238 20 0 EBADHM CCS(=O)(=O)CCNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736659491 582949572 /nfs/dbraw/zinc/94/95/72/582949572.db2.gz SIRUKQGGTARASG-UHFFFAOYSA-N -1 3 339.377 -0.204 20 0 EBADHM CCS(=O)(=O)CCNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736659491 582949574 /nfs/dbraw/zinc/94/95/74/582949574.db2.gz SIRUKQGGTARASG-UHFFFAOYSA-N -1 3 339.377 -0.204 20 0 EBADHM CN(C)CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736765142 582954330 /nfs/dbraw/zinc/95/43/30/582954330.db2.gz URCPOCQLLSACHD-UHFFFAOYSA-N -1 3 344.379 -0.892 20 0 EBADHM CN(C)CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736765142 582954332 /nfs/dbraw/zinc/95/43/32/582954332.db2.gz URCPOCQLLSACHD-UHFFFAOYSA-N -1 3 344.379 -0.892 20 0 EBADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CN1CCC(=O)NC1=O ZINC000736820040 582959729 /nfs/dbraw/zinc/95/97/29/582959729.db2.gz JIQLLZSEIIRHCZ-UHFFFAOYSA-N -1 3 343.347 -0.233 20 0 EBADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CN1CCC(=O)NC1=O ZINC000736820040 582959732 /nfs/dbraw/zinc/95/97/32/582959732.db2.gz JIQLLZSEIIRHCZ-UHFFFAOYSA-N -1 3 343.347 -0.233 20 0 EBADHM CN(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCN(C)C1=O ZINC000736851213 582962454 /nfs/dbraw/zinc/96/24/54/582962454.db2.gz HJCBHRMBXNBINU-GFCCVEGCSA-N -1 3 329.364 -0.032 20 0 EBADHM CN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(C)C1=O ZINC000736851213 582962457 /nfs/dbraw/zinc/96/24/57/582962457.db2.gz HJCBHRMBXNBINU-GFCCVEGCSA-N -1 3 329.364 -0.032 20 0 EBADHM CN1CCN(CCC(=O)Nc2ccccc2-c2nnn[n-]2)CC1=O ZINC000736865561 582965452 /nfs/dbraw/zinc/96/54/52/582965452.db2.gz ZLUWXPKZZLNTAG-UHFFFAOYSA-N -1 3 329.364 -0.031 20 0 EBADHM CN1CCN(CCC(=O)Nc2ccccc2-c2nn[n-]n2)CC1=O ZINC000736865561 582965454 /nfs/dbraw/zinc/96/54/54/582965454.db2.gz ZLUWXPKZZLNTAG-UHFFFAOYSA-N -1 3 329.364 -0.031 20 0 EBADHM CNC(=O)CCN(C)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736869910 582966038 /nfs/dbraw/zinc/96/60/38/582966038.db2.gz CXJUVEAYXKUGAT-UHFFFAOYSA-N -1 3 331.380 -0.449 20 0 EBADHM CNC(=O)CCN(C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736869910 582966040 /nfs/dbraw/zinc/96/60/40/582966040.db2.gz CXJUVEAYXKUGAT-UHFFFAOYSA-N -1 3 331.380 -0.449 20 0 EBADHM CNC(=O)CNC(=O)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000736874539 582967140 /nfs/dbraw/zinc/96/71/40/582967140.db2.gz RLNHKBLPCPFAOE-GFCCVEGCSA-N -1 3 329.364 -0.302 20 0 EBADHM CNC(=O)CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736874539 582967141 /nfs/dbraw/zinc/96/71/41/582967141.db2.gz RLNHKBLPCPFAOE-GFCCVEGCSA-N -1 3 329.364 -0.302 20 0 EBADHM COC(=O)[C@@H]1CN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736911935 582971139 /nfs/dbraw/zinc/97/11/39/582971139.db2.gz JREWDOUUCBOVFU-RYUDHWBXSA-N -1 3 346.347 -0.733 20 0 EBADHM COC(=O)[C@@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736911935 582971142 /nfs/dbraw/zinc/97/11/42/582971142.db2.gz JREWDOUUCBOVFU-RYUDHWBXSA-N -1 3 346.347 -0.733 20 0 EBADHM COC(=O)[C@@H]1C[C@@H](O)CN1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000736940707 582976487 /nfs/dbraw/zinc/97/64/87/582976487.db2.gz VFTAJSDUUASIDX-YPMHNXCESA-N -1 3 333.348 -0.146 20 0 EBADHM COC(=O)[C@@H]1C[C@@H](O)CN1CCOc1cccc(-c2nn[n-]n2)c1 ZINC000736940707 582976490 /nfs/dbraw/zinc/97/64/90/582976490.db2.gz VFTAJSDUUASIDX-YPMHNXCESA-N -1 3 333.348 -0.146 20 0 EBADHM COC[C@H]1CN(C[C@H](O)COc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736977654 582979186 /nfs/dbraw/zinc/97/91/86/582979186.db2.gz ZULGWJJALRFKCA-DZGCQCFKSA-N -1 3 349.391 -0.046 20 0 EBADHM COC[C@H]1CN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736977654 582979191 /nfs/dbraw/zinc/97/91/91/582979191.db2.gz ZULGWJJALRFKCA-DZGCQCFKSA-N -1 3 349.391 -0.046 20 0 EBADHM COCCOCCC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737006523 582983446 /nfs/dbraw/zinc/98/34/46/582983446.db2.gz RHHDJFLVXTUPMR-UHFFFAOYSA-N -1 3 325.329 -0.758 20 0 EBADHM COCCOCCC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737006523 582983448 /nfs/dbraw/zinc/98/34/48/582983448.db2.gz RHHDJFLVXTUPMR-UHFFFAOYSA-N -1 3 325.329 -0.758 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(C)(C)O ZINC000737058535 582986764 /nfs/dbraw/zinc/98/67/64/582986764.db2.gz 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NC(=O)NC1CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822873751 583820181 /nfs/dbraw/zinc/82/01/81/583820181.db2.gz HWTKFBVEXCANGC-UHFFFAOYSA-N -1 3 345.363 -0.095 20 0 EBADHM NC(=O)NC1CCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822873751 583820183 /nfs/dbraw/zinc/82/01/83/583820183.db2.gz HWTKFBVEXCANGC-UHFFFAOYSA-N -1 3 345.363 -0.095 20 0 EBADHM NC(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822869290 583820191 /nfs/dbraw/zinc/82/01/91/583820191.db2.gz UHTCIRQSHDIHBM-UHFFFAOYSA-N -1 3 330.757 -0.326 20 0 EBADHM NC(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822869290 583820193 /nfs/dbraw/zinc/82/01/93/583820193.db2.gz UHTCIRQSHDIHBM-UHFFFAOYSA-N -1 3 330.757 -0.326 20 0 EBADHM NC(=O)c1ccc(NCCNc2ccc(-c3nnn[n-]3)cn2)nn1 ZINC000822885995 583820586 /nfs/dbraw/zinc/82/05/86/583820586.db2.gz XTDKKBJPPXEZRX-UHFFFAOYSA-N -1 3 326.324 -0.325 20 0 EBADHM NC(=O)c1ccc(NCCNc2ccc(-c3nn[n-]n3)cn2)nn1 ZINC000822885995 583820587 /nfs/dbraw/zinc/82/05/87/583820587.db2.gz 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-1 3 335.349 -0.405 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(CCO)CCCO ZINC000826279481 583890292 /nfs/dbraw/zinc/89/02/92/583890292.db2.gz RMGBEEXYWLFSBJ-UHFFFAOYSA-N -1 3 341.393 -0.459 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CCO)CCCO ZINC000826279481 583890294 /nfs/dbraw/zinc/89/02/94/583890294.db2.gz RMGBEEXYWLFSBJ-UHFFFAOYSA-N -1 3 341.393 -0.459 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@]3(C2)NC(=O)N(C)C3=O)n1 ZINC000826274560 583890389 /nfs/dbraw/zinc/89/03/89/583890389.db2.gz VOBUJCOGBXHXFF-AWEZNQCLSA-N -1 3 328.336 -0.299 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@]3(C2)NC(=O)N(C)C3=O)n1 ZINC000826274560 583890392 /nfs/dbraw/zinc/89/03/92/583890392.db2.gz VOBUJCOGBXHXFF-AWEZNQCLSA-N -1 3 328.336 -0.299 20 0 EBADHM Cc1cccc(S(=O)(=O)N(C)[C@H]2CCNC2=O)c1-c1nnn[n-]1 ZINC000826301195 583890715 /nfs/dbraw/zinc/89/07/15/583890715.db2.gz VYTFKBBGIOYGKN-VIFPVBQESA-N -1 3 336.377 -0.316 20 0 EBADHM Cc1cccc(S(=O)(=O)N(C)[C@H]2CCNC2=O)c1-c1nn[n-]n1 ZINC000826301195 583890718 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Cc1cccc(NC(=O)C(=O)NCCN2CCC2)c1-c1nn[n-]n1 ZINC000826298987 583890840 /nfs/dbraw/zinc/89/08/40/583890840.db2.gz NHMUZLHYRDCNGX-UHFFFAOYSA-N -1 3 329.364 -0.064 20 0 EBADHM Cc1cccc(S(=O)(=O)NCCn2ccnn2)c1-c1nnn[n-]1 ZINC000826303518 583890853 /nfs/dbraw/zinc/89/08/53/583890853.db2.gz SVMFRHZIPBWMSA-UHFFFAOYSA-N -1 3 334.365 -0.255 20 0 EBADHM Cc1cccc(S(=O)(=O)NCCn2ccnn2)c1-c1nn[n-]n1 ZINC000826303518 583890854 /nfs/dbraw/zinc/89/08/54/583890854.db2.gz SVMFRHZIPBWMSA-UHFFFAOYSA-N -1 3 334.365 -0.255 20 0 EBADHM Cc1cccc(S(=O)(=O)N[C@@H]2CCCNC2=O)c1-c1nnn[n-]1 ZINC000826302707 583890913 /nfs/dbraw/zinc/89/09/13/583890913.db2.gz QRXPVTVZAXJFKT-SECBINFHSA-N -1 3 336.377 -0.268 20 0 EBADHM Cc1cccc(S(=O)(=O)N[C@@H]2CCCNC2=O)c1-c1nn[n-]n1 ZINC000826302707 583890914 /nfs/dbraw/zinc/89/09/14/583890914.db2.gz QRXPVTVZAXJFKT-SECBINFHSA-N -1 3 336.377 -0.268 20 0 EBADHM Cc1ccnc(N2CC[C@]3(C2)NC(=O)N(C)C3=O)c1-c1nnn[n-]1 ZINC000826309976 583891293 /nfs/dbraw/zinc/89/12/93/583891293.db2.gz HZEJBHKKPQMKNN-CQSZACIVSA-N -1 3 328.336 -0.299 20 0 EBADHM Cc1ccnc(N2CC[C@]3(C2)NC(=O)N(C)C3=O)c1-c1nn[n-]n1 ZINC000826309976 583891294 /nfs/dbraw/zinc/89/12/94/583891294.db2.gz HZEJBHKKPQMKNN-CQSZACIVSA-N -1 3 328.336 -0.299 20 0 EBADHM Cc1nnc2n1CCN(C(=O)[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000826337568 583891707 /nfs/dbraw/zinc/89/17/07/583891707.db2.gz SXUYVTPCBBSEJL-ZDUSSCGKSA-N -1 3 340.347 -0.158 20 0 EBADHM Cc1nnc2n1CCN(C(=O)[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000826337568 583891710 /nfs/dbraw/zinc/89/17/10/583891710.db2.gz SXUYVTPCBBSEJL-ZDUSSCGKSA-N -1 3 340.347 -0.158 20 0 EBADHM Cn1ccnc(N2CCN(c3cnccc3-c3nnn[n-]3)CC2)c1=O ZINC000826363949 583894932 /nfs/dbraw/zinc/89/49/32/583894932.db2.gz GPLQTMNSJFIRMR-UHFFFAOYSA-N -1 3 339.363 -0.318 20 0 EBADHM Cn1ccnc(N2CCN(c3cnccc3-c3nn[n-]n3)CC2)c1=O ZINC000826363949 583894935 /nfs/dbraw/zinc/89/49/35/583894935.db2.gz GPLQTMNSJFIRMR-UHFFFAOYSA-N -1 3 339.363 -0.318 20 0 EBADHM Cn1nnnc1CCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826367055 583895225 /nfs/dbraw/zinc/89/52/25/583895225.db2.gz JZWIASUBBSIMGK-VOTSOKGWSA-N -1 3 325.336 -0.238 20 0 EBADHM Cn1nnnc1CCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826367055 583895226 /nfs/dbraw/zinc/89/52/26/583895226.db2.gz JZWIASUBBSIMGK-VOTSOKGWSA-N -1 3 325.336 -0.238 20 0 EBADHM Cn1cnn(CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c1=O ZINC000826365353 583895364 /nfs/dbraw/zinc/89/53/64/583895364.db2.gz KWIYNNBEVPZUMR-UHFFFAOYSA-N -1 3 333.283 -0.356 20 0 EBADHM Cn1cnn(CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c1=O ZINC000826365353 583895367 /nfs/dbraw/zinc/89/53/67/583895367.db2.gz KWIYNNBEVPZUMR-UHFFFAOYSA-N -1 3 333.283 -0.356 20 0 EBADHM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826389906 583896148 /nfs/dbraw/zinc/89/61/48/583896148.db2.gz LEVGXSVYWKGEHL-MNOVXSKESA-N -1 3 344.379 -0.166 20 0 EBADHM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826389906 583896150 /nfs/dbraw/zinc/89/61/50/583896150.db2.gz LEVGXSVYWKGEHL-MNOVXSKESA-N -1 3 344.379 -0.166 20 0 EBADHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000826389766 583896179 /nfs/dbraw/zinc/89/61/79/583896179.db2.gz HXDDLNPHAKNQIT-SRVKXCTJSA-N -1 3 346.347 -0.951 20 0 EBADHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000826389766 583896181 /nfs/dbraw/zinc/89/61/81/583896181.db2.gz HXDDLNPHAKNQIT-SRVKXCTJSA-N -1 3 346.347 -0.951 20 0 EBADHM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826389905 583896264 /nfs/dbraw/zinc/89/62/64/583896264.db2.gz LEVGXSVYWKGEHL-GHMZBOCLSA-N -1 3 344.379 -0.166 20 0 EBADHM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826389905 583896265 /nfs/dbraw/zinc/89/62/65/583896265.db2.gz LEVGXSVYWKGEHL-GHMZBOCLSA-N -1 3 344.379 -0.166 20 0 EBADHM NC(=O)C1(NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000826389929 583896398 /nfs/dbraw/zinc/89/63/98/583896398.db2.gz LQVIUTNOXLOIKD-UHFFFAOYSA-N -1 3 336.377 -0.306 20 0 EBADHM NC(=O)C1(NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000826389929 583896399 /nfs/dbraw/zinc/89/63/99/583896399.db2.gz LQVIUTNOXLOIKD-UHFFFAOYSA-N -1 3 336.377 -0.306 20 0 EBADHM NC(=O)[C@@H]1COCCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826390006 583896575 /nfs/dbraw/zinc/89/65/75/583896575.db2.gz NUYZWHBFXDCSSF-QMMMGPOBSA-N -1 3 337.727 -0.759 20 0 EBADHM NC(=O)[C@@H]1COCCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826390006 583896577 /nfs/dbraw/zinc/89/65/77/583896577.db2.gz NUYZWHBFXDCSSF-QMMMGPOBSA-N -1 3 337.727 -0.759 20 0 EBADHM NC(=O)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826390663 583896866 /nfs/dbraw/zinc/89/68/66/583896866.db2.gz HUMKRUXERFHKAL-LLVKDONJSA-N -1 3 343.347 -0.646 20 0 EBADHM NC(=O)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826390663 583896867 /nfs/dbraw/zinc/89/68/67/583896867.db2.gz HUMKRUXERFHKAL-LLVKDONJSA-N -1 3 343.347 -0.646 20 0 EBADHM NC(=O)N[C@H]1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826391744 583897425 /nfs/dbraw/zinc/89/74/25/583897425.db2.gz AEDVADVIRKEKII-NSHDSACASA-N -1 3 330.352 -0.452 20 0 EBADHM NC(=O)N[C@H]1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826391744 583897426 /nfs/dbraw/zinc/89/74/26/583897426.db2.gz AEDVADVIRKEKII-NSHDSACASA-N -1 3 330.352 -0.452 20 0 EBADHM NC(=O)N[C@H]1CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826392143 583897480 /nfs/dbraw/zinc/89/74/80/583897480.db2.gz OMPNCKSWVXMUQF-JTQLQIEISA-N -1 3 331.336 -0.485 20 0 EBADHM NC(=O)N[C@H]1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826392143 583897481 /nfs/dbraw/zinc/89/74/81/583897481.db2.gz OMPNCKSWVXMUQF-JTQLQIEISA-N -1 3 331.336 -0.485 20 0 EBADHM NC(=O)c1cc(CNC(=O)NCc2cccc(-c3nnn[n-]3)c2)on1 ZINC000826392608 583897778 /nfs/dbraw/zinc/89/77/78/583897778.db2.gz FILGQCWZAZPEIU-UHFFFAOYSA-N -1 3 342.319 -0.047 20 0 EBADHM NC(=O)c1cc(CNC(=O)NCc2cccc(-c3nn[n-]n3)c2)on1 ZINC000826392608 583897780 /nfs/dbraw/zinc/89/77/80/583897780.db2.gz FILGQCWZAZPEIU-UHFFFAOYSA-N -1 3 342.319 -0.047 20 0 EBADHM NC(=O)N[C@@H]1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826392456 583898066 /nfs/dbraw/zinc/89/80/66/583898066.db2.gz YRPUMKQCQHGSRX-MNOVXSKESA-N -1 3 330.352 -0.864 20 0 EBADHM NC(=O)N[C@@H]1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826392456 583898068 /nfs/dbraw/zinc/89/80/68/583898068.db2.gz YRPUMKQCQHGSRX-MNOVXSKESA-N -1 3 330.352 -0.864 20 0 EBADHM NS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826394436 583898279 /nfs/dbraw/zinc/89/82/79/583898279.db2.gz JZFJJTNJLNUWIK-VIFPVBQESA-N -1 3 341.397 -0.535 20 0 EBADHM NS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826394436 583898281 /nfs/dbraw/zinc/89/82/81/583898281.db2.gz JZFJJTNJLNUWIK-VIFPVBQESA-N -1 3 341.397 -0.535 20 0 EBADHM O=C(CN1C(=O)[C@@H]2C[C@@H]2C1=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826410025 583899119 /nfs/dbraw/zinc/89/91/19/583899119.db2.gz YQVUWAZCMGAQDX-PHIMTYICSA-N -1 3 326.316 -0.512 20 0 EBADHM O=C(CN1C(=O)[C@@H]2C[C@@H]2C1=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826410025 583899122 /nfs/dbraw/zinc/89/91/22/583899122.db2.gz YQVUWAZCMGAQDX-PHIMTYICSA-N -1 3 326.316 -0.512 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)C1CC1 ZINC000826411890 583899315 /nfs/dbraw/zinc/89/93/15/583899315.db2.gz RGZXMVJBCORXFN-LBPRGKRZSA-N -1 3 330.348 -0.516 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)C1CC1 ZINC000826411890 583899316 /nfs/dbraw/zinc/89/93/16/583899316.db2.gz RGZXMVJBCORXFN-LBPRGKRZSA-N -1 3 330.348 -0.516 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)CC1CC1 ZINC000826411507 583899369 /nfs/dbraw/zinc/89/93/69/583899369.db2.gz AYZZZBSSWYOWDY-CYBMUJFWSA-N -1 3 344.375 -0.126 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)CC1CC1 ZINC000826411507 583899370 /nfs/dbraw/zinc/89/93/70/583899370.db2.gz AYZZZBSSWYOWDY-CYBMUJFWSA-N -1 3 344.375 -0.126 20 0 EBADHM O=C(CNC(=O)COc1cccc(-c2nnn[n-]2)c1)NCC1CC1 ZINC000826411635 583899479 /nfs/dbraw/zinc/89/94/79/583899479.db2.gz GYJMYDNGWHDIAG-UHFFFAOYSA-N -1 3 330.348 -0.112 20 0 EBADHM O=C(CNC(=O)COc1cccc(-c2nn[n-]n2)c1)NCC1CC1 ZINC000826411635 583899480 /nfs/dbraw/zinc/89/94/80/583899480.db2.gz GYJMYDNGWHDIAG-UHFFFAOYSA-N -1 3 330.348 -0.112 20 0 EBADHM O=C(CN1CCOC[C@@H]1CCO)Nc1sccc1-c1nnn[n-]1 ZINC000826411203 583899521 /nfs/dbraw/zinc/89/95/21/583899521.db2.gz OOHKJMFKVDZZTH-VIFPVBQESA-N -1 3 338.393 -0.050 20 0 EBADHM O=C(CN1CCOC[C@@H]1CCO)Nc1sccc1-c1nn[n-]n1 ZINC000826411203 583899524 /nfs/dbraw/zinc/89/95/24/583899524.db2.gz OOHKJMFKVDZZTH-VIFPVBQESA-N -1 3 338.393 -0.050 20 0 EBADHM O=C(CN1CCOC[C@H]1CCO)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826411479 583899570 /nfs/dbraw/zinc/89/95/70/583899570.db2.gz ZYXFXAJCNILMJS-CYBMUJFWSA-N -1 3 332.364 -0.112 20 0 EBADHM O=C(CN1CCOC[C@H]1CCO)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826411479 583899573 /nfs/dbraw/zinc/89/95/73/583899573.db2.gz ZYXFXAJCNILMJS-CYBMUJFWSA-N -1 3 332.364 -0.112 20 0 EBADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@@H](CO)C1CCOCC1 ZINC000826413505 583899768 /nfs/dbraw/zinc/89/97/68/583899768.db2.gz IDYZKLVHODWBEV-LBPRGKRZSA-N -1 3 347.379 -0.423 20 0 EBADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@@H](CO)C1CCOCC1 ZINC000826413505 583899769 /nfs/dbraw/zinc/89/97/69/583899769.db2.gz IDYZKLVHODWBEV-LBPRGKRZSA-N -1 3 347.379 -0.423 20 0 EBADHM O=C(CO)N1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000826414937 583899854 /nfs/dbraw/zinc/89/98/54/583899854.db2.gz MQAUXLXDBJGVQR-UHFFFAOYSA-N -1 3 328.336 -0.845 20 0 EBADHM O=C(CO)N1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000826414937 583899856 /nfs/dbraw/zinc/89/98/56/583899856.db2.gz MQAUXLXDBJGVQR-UHFFFAOYSA-N -1 3 328.336 -0.845 20 0 EBADHM O=C(CO)N1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826414908 583899964 /nfs/dbraw/zinc/89/99/64/583899964.db2.gz LPQWMHZCVNAIEG-UHFFFAOYSA-N -1 3 330.348 -0.928 20 0 EBADHM O=C(CO)N1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826414908 583899967 /nfs/dbraw/zinc/89/99/67/583899967.db2.gz LPQWMHZCVNAIEG-UHFFFAOYSA-N -1 3 330.348 -0.928 20 0 EBADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCSC[C@@H]1CCO ZINC000826413670 583900093 /nfs/dbraw/zinc/90/00/93/583900093.db2.gz NGHRZEHNLCOXES-NSHDSACASA-N -1 3 349.420 0.000 20 0 EBADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCSC[C@@H]1CCO ZINC000826413670 583900096 /nfs/dbraw/zinc/90/00/96/583900096.db2.gz NGHRZEHNLCOXES-NSHDSACASA-N -1 3 349.420 0.000 20 0 EBADHM O=C(N[C@H]1CC(=O)N(C2CC2)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826429041 583901587 /nfs/dbraw/zinc/90/15/87/583901587.db2.gz SJNITUGETVBSED-SMDDNHRTSA-N -1 3 342.359 -0.220 20 0 EBADHM O=C(N[C@H]1CC(=O)N(C2CC2)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826429041 583901589 /nfs/dbraw/zinc/90/15/89/583901589.db2.gz SJNITUGETVBSED-SMDDNHRTSA-N -1 3 342.359 -0.220 20 0 EBADHM O=C(N[C@@H]1CCOC1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826432136 583901611 /nfs/dbraw/zinc/90/16/11/583901611.db2.gz STEVYJYNSOZWHE-LLVKDONJSA-N -1 3 344.379 -0.118 20 0 EBADHM O=C(N[C@@H]1CCOC1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826432136 583901613 /nfs/dbraw/zinc/90/16/13/583901613.db2.gz STEVYJYNSOZWHE-LLVKDONJSA-N -1 3 344.379 -0.118 20 0 EBADHM 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YTUBWAVHAVBIJE-UHFFFAOYSA-N -1 3 341.799 -0.184 20 0 EBADHM CN1CC[C@@H]2CN(C(=O)C(=O)N=c3ccnc4n(C)[n-]cc3-4)CC[C@H]21 ZINC000874175144 584479990 /nfs/dbraw/zinc/47/99/90/584479990.db2.gz NNDKZQMWXMJBJX-BXUZGUMPSA-N -1 3 342.403 -0.167 20 0 EBADHM CN1CC[C@@H]2CN(C(=O)C(=O)N=c3ccnc4n(C)[n-]cc3-4)CC[C@@H]21 ZINC000874175146 584480034 /nfs/dbraw/zinc/48/00/34/584480034.db2.gz NNDKZQMWXMJBJX-RISCZKNCSA-N -1 3 342.403 -0.167 20 0 EBADHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000881843449 584577519 /nfs/dbraw/zinc/57/75/19/584577519.db2.gz CYGOVJVDXOXGQG-SUTOTMHJSA-N -1 3 340.471 -0.742 20 0 EBADHM COCCN1CCC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C1 ZINC000881866352 584578416 /nfs/dbraw/zinc/57/84/16/584578416.db2.gz VVCYLCLIMXWVGM-PRWKNARSSA-N -1 3 342.487 -0.494 20 0 EBADHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C[C@@H]1CN(C)CCN1C ZINC000881882000 584578811 /nfs/dbraw/zinc/57/88/11/584578811.db2.gz WQZFONBMCCMLLF-OLZOCXBDSA-N -1 3 335.470 -0.117 20 0 EBADHM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C[C@@H]1CN(C)CCN1C ZINC000881881996 584578837 /nfs/dbraw/zinc/57/88/37/584578837.db2.gz WQZFONBMCCMLLF-CHWSQXEVSA-N -1 3 335.470 -0.117 20 0 EBADHM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)[C@@H]1CN(C)CCO1 ZINC000882003019 584581679 /nfs/dbraw/zinc/58/16/79/584581679.db2.gz GJVWXHRCDPENNC-ZPEMSAPTSA-N -1 3 328.460 -0.886 20 0 EBADHM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)N1CCCC1 ZINC000882151951 584585214 /nfs/dbraw/zinc/58/52/14/584585214.db2.gz BOBNBHUDNNFDJL-UGZDLDLSSA-N -1 3 326.444 -0.594 20 0 EBADHM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)N1CCCC1 ZINC000882151953 584585231 /nfs/dbraw/zinc/58/52/31/584585231.db2.gz BOBNBHUDNNFDJL-ZRNGKTOUSA-N -1 3 326.444 -0.594 20 0 EBADHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCN(CCF)C1 ZINC000882490064 584590828 /nfs/dbraw/zinc/59/08/28/584590828.db2.gz XYBHJXHRUCTLQJ-APBUJDDRSA-N -1 3 330.451 -0.171 20 0 EBADHM O=C1COC[C@]2(C[N-]S(=O)(=O)c3cccnc3F)COCCN12 ZINC000882500672 584591234 /nfs/dbraw/zinc/59/12/34/584591234.db2.gz VPBASMGHUZGWCK-ZDUSSCGKSA-N -1 3 345.352 -0.873 20 0 EBADHM O=C(COC(=O)CC[C@@H]1NC(=O)[N-]C1=O)NCc1ccccc1F ZINC000027732646 584601502 /nfs/dbraw/zinc/60/15/02/584601502.db2.gz GOILAAJUHMOYTM-NSHDSACASA-N -1 3 337.307 -0.027 20 0 EBADHM O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC2(C1)NC(=O)[N-]C2=O ZINC000889306393 584616513 /nfs/dbraw/zinc/61/65/13/584616513.db2.gz YWODXWNETHHYCZ-VIFPVBQESA-N -1 3 346.318 -0.401 20 0 EBADHM O=C(c1ccc(N2CCCC2=O)cc1)N1CC2(C1)NC(=O)[N-]C2=O ZINC000889309229 584620940 /nfs/dbraw/zinc/62/09/40/584620940.db2.gz RBDRRSXNCBLMKV-UHFFFAOYSA-N -1 3 328.328 -0.153 20 0 EBADHM COC[C@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)[C@@H]1CCCOC1 ZINC000885752606 584651831 /nfs/dbraw/zinc/65/18/31/584651831.db2.gz FGPNUXJLPZPXTJ-MCIONIFRSA-N -1 3 336.454 -0.322 20 0 EBADHM O=C(Cc1ccc([O-])c(F)c1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886180549 584658420 /nfs/dbraw/zinc/65/84/20/584658420.db2.gz SPERZRXGHBUQAG-SNVBAGLBSA-N -1 3 329.353 -0.565 20 0 EBADHM C[C@@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N)N1CCc2ccccc21 ZINC000072898857 584666706 /nfs/dbraw/zinc/66/67/06/584666706.db2.gz HWMWIFHMKIWMIS-VIFPVBQESA-N -1 3 329.360 -0.174 20 0 EBADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCn2cnnc2C1 ZINC000738329853 598712913 /nfs/dbraw/zinc/71/29/13/598712913.db2.gz LOKURBMUDBHYGZ-UHFFFAOYSA-N -1 3 346.376 -0.196 20 0 EBADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCn2cnnc2C1 ZINC000738329853 598712914 /nfs/dbraw/zinc/71/29/14/598712914.db2.gz LOKURBMUDBHYGZ-UHFFFAOYSA-N -1 3 346.376 -0.196 20 0 EBADHM O=S1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738358091 598811894 /nfs/dbraw/zinc/81/18/94/598811894.db2.gz KUCRPEWANNCUQC-LBPRGKRZSA-N -1 3 337.405 -0.329 20 0 EBADHM CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@@H](CNC(=O)[O-])C2)CC1 ZINC000738522246 601943603 /nfs/dbraw/zinc/94/36/03/601943603.db2.gz DGKGPVBDNWLUHB-YPMHNXCESA-N -1 3 326.397 -0.345 20 0 EBADHM CCN(CC)CC(=O)N1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000739409038 602420955 /nfs/dbraw/zinc/42/09/55/602420955.db2.gz VNHFAEBBNRBGGT-UHFFFAOYSA-N -1 3 343.428 -0.160 20 0 EBADHM C[C@H]1CN(C(=O)[O-])CCN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000739152349 602864177 /nfs/dbraw/zinc/86/41/77/602864177.db2.gz CSEYBJYFZUVCSO-NSHDSACASA-N -1 3 339.396 -0.356 20 0 EBADHM CCN1CCN(C[C@H](C)CNC(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739460570 602905576 /nfs/dbraw/zinc/90/55/76/602905576.db2.gz PETFYMGATVIFDV-ZIAGYGMSSA-N -1 3 342.440 -0.245 20 0 EBADHM CN(C)CCN1C[C@@H](C(=O)N2CCC(NC(=O)[O-])CC2)CC1=O ZINC000739613263 603070478 /nfs/dbraw/zinc/07/04/78/603070478.db2.gz PACOMKFSVFUXGS-NSHDSACASA-N -1 3 326.397 -0.345 20 0 EBADHM NC(=O)NC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046333797 649946157 /nfs/dbraw/zinc/94/61/57/649946157.db2.gz NXRPPFAHRGVTNQ-JTQLQIEISA-N -1 3 335.316 -0.265 20 0 EBADHM COc1cc[n-]c(=NNC(=O)[C@H]2CCCCN2S(C)(=O)=O)n1 ZINC000046364519 649946894 /nfs/dbraw/zinc/94/68/94/649946894.db2.gz HXURICHCXASOTA-SECBINFHSA-N -1 3 329.382 -0.258 20 0 EBADHM CC(C)(CNC(=O)NNC(=O)c1ccccc1[O-])NS(C)(=O)=O 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-0.635 20 0 EBADHM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[N-][C@@H]2C[C@@H](C)OC2=O)C1 ZINC000914792152 650262792 /nfs/dbraw/zinc/26/27/92/650262792.db2.gz CKFBCHHASDOJOO-GMTAPVOTSA-N -1 3 334.394 -0.200 20 0 EBADHM CO[C@H]1C[C@@H](C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)N(C)C1 ZINC000924295807 650362205 /nfs/dbraw/zinc/36/22/05/650362205.db2.gz JCTWFPRTDXRKEV-STQMWFEESA-N -1 3 335.408 -0.142 20 0 EBADHM O=C(NC[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1)c1cnc[n-]c1=O ZINC000937441974 651777684 /nfs/dbraw/zinc/77/76/84/651777684.db2.gz AUTICHMETNDBJD-JQWIXIFHSA-N -1 3 347.375 -0.428 20 0 EBADHM Cc1cnc(C(=O)N[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)cn1 ZINC000937639214 651859391 /nfs/dbraw/zinc/85/93/91/651859391.db2.gz XWOWXZKNSAIDED-JTQLQIEISA-N -1 3 328.332 -0.075 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC000937660762 651870185 /nfs/dbraw/zinc/87/01/85/651870185.db2.gz MWUKZTXFDMWYKA-NSHDSACASA-N -1 3 347.375 -0.556 20 0 EBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](NC(=O)c3ccccc3[O-])C2)O1 ZINC000937696644 651880252 /nfs/dbraw/zinc/88/02/52/651880252.db2.gz ZIDGAGPVVALLFK-LEWSCRJBSA-N -1 3 347.371 -0.244 20 0 EBADHM CN(C(=O)c1cnc[n-]c1=O)[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC000936655121 651974288 /nfs/dbraw/zinc/97/42/88/651974288.db2.gz LVHQBIPCCYPVOI-NSHDSACASA-N -1 3 345.363 -0.463 20 0 EBADHM Cc1nc(C)c(CC(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C2)c(=O)[n-]1 ZINC000937973651 652018146 /nfs/dbraw/zinc/01/81/46/652018146.db2.gz SRQAGJNYKIJQGF-JTQLQIEISA-N -1 3 345.363 -0.509 20 0 EBADHM O=C(C[C@H]1CCNC1=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000938151693 652107603 /nfs/dbraw/zinc/10/76/03/652107603.db2.gz XBVSTLCXMQSCKN-ZJUUUORDSA-N -1 3 333.348 -0.961 20 0 EBADHM O=C(C[C@H]1CCC(=O)NC1)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000938151773 652107865 /nfs/dbraw/zinc/10/78/65/652107865.db2.gz ZEWOMXDVQLRDQS-MNOVXSKESA-N -1 3 347.375 -0.571 20 0 EBADHM Cn1cc(C(=O)N2CC[C@H](NC(=O)c3cnc[n-]c3=O)C2)ccc1=O ZINC000938152799 652109421 /nfs/dbraw/zinc/10/94/21/652109421.db2.gz JTNVQAVDJYSSND-NSHDSACASA-N -1 3 343.343 -0.475 20 0 EBADHM Cc1cncn1CC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000938153722 652110264 /nfs/dbraw/zinc/11/02/64/652110264.db2.gz UZOQPUZSQUMCRT-NSHDSACASA-N -1 3 330.348 -0.282 20 0 EBADHM CCN1C[C@H](C(=O)N2CC[C@H](NC(=O)c3cnc[n-]c3=O)C2)CC1=O ZINC000938153753 652110271 /nfs/dbraw/zinc/11/02/71/652110271.db2.gz VUIMMECDZZMMBE-MNOVXSKESA-N -1 3 347.375 -0.619 20 0 EBADHM COc1ncc(C(=O)N2CC[C@H](NC(=O)c3cnc[n-]c3=O)C2)cn1 ZINC000938154455 652110337 /nfs/dbraw/zinc/11/03/37/652110337.db2.gz ZNPIJXLMKZIONQ-JTQLQIEISA-N -1 3 344.331 -0.375 20 0 EBADHM O=C(N[C@H]1CCN(C(=O)c2cc3ncccn3n2)C1)c1cn[n-]n1 ZINC000938238684 652149533 /nfs/dbraw/zinc/14/95/33/652149533.db2.gz ADPSPXNRVRCRMW-VIFPVBQESA-N -1 3 326.320 -0.508 20 0 EBADHM Cn1nnc2c1C[C@@H](C(=O)N1CC[C@H](NC(=O)c3cn[n-]n3)C1)CC2 ZINC000938239699 652150457 /nfs/dbraw/zinc/15/04/57/652150457.db2.gz NLAMUMUNXYXMOD-UWVGGRQHSA-N -1 3 344.379 -0.931 20 0 EBADHM 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ZINC001574963367 949751545 /nfs/dbraw/zinc/75/15/45/949751545.db2.gz IWCHDESKIGWNGD-BXKDBHETSA-N -1 3 344.379 -0.153 20 0 EBADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574964008 949761783 /nfs/dbraw/zinc/76/17/83/949761783.db2.gz OIMLQYZUBFBWTM-OIBJUYFYSA-N -1 3 348.342 -0.404 20 0 EBADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574964008 949761801 /nfs/dbraw/zinc/76/18/01/949761801.db2.gz OIMLQYZUBFBWTM-OIBJUYFYSA-N -1 3 348.342 -0.404 20 0 EBADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574966075 949835060 /nfs/dbraw/zinc/83/50/60/949835060.db2.gz TWVMCMYCZLOHLJ-VFZGTOFNSA-N -1 3 344.379 -0.153 20 0 EBADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574966075 949835079 /nfs/dbraw/zinc/83/50/79/949835079.db2.gz TWVMCMYCZLOHLJ-VFZGTOFNSA-N -1 3 344.379 -0.153 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cnco1 ZINC001574967068 949867140 /nfs/dbraw/zinc/86/71/40/949867140.db2.gz FAJVCODPHRYISL-QMMMGPOBSA-N -1 3 344.335 -0.021 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cnco1 ZINC001574967068 949867156 /nfs/dbraw/zinc/86/71/56/949867156.db2.gz FAJVCODPHRYISL-QMMMGPOBSA-N -1 3 344.335 -0.021 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC(C)(C)O ZINC001574972151 949935761 /nfs/dbraw/zinc/93/57/61/949935761.db2.gz BCGYXFIMTBXJMZ-VIFPVBQESA-N -1 3 349.395 -0.068 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC(C)(C)O ZINC001574972151 949935776 /nfs/dbraw/zinc/93/57/76/949935776.db2.gz BCGYXFIMTBXJMZ-VIFPVBQESA-N -1 3 349.395 -0.068 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nncn1C ZINC001574975148 950015741 /nfs/dbraw/zinc/01/57/41/950015741.db2.gz FMRQDOZZTZUYRD-SECBINFHSA-N -1 3 344.383 -0.426 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nncn1C ZINC001574975148 950015761 /nfs/dbraw/zinc/01/57/61/950015761.db2.gz FMRQDOZZTZUYRD-SECBINFHSA-N -1 3 344.383 -0.426 20 0 EBADHM C[C@@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574730606 950030470 /nfs/dbraw/zinc/03/04/70/950030470.db2.gz AMFHVGCKBNATNO-VIFPVBQESA-N -1 3 342.367 -0.119 20 0 EBADHM C[C@@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574730606 950030491 /nfs/dbraw/zinc/03/04/91/950030491.db2.gz AMFHVGCKBNATNO-VIFPVBQESA-N -1 3 342.367 -0.119 20 0 EBADHM C[C@@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574732152 950067162 /nfs/dbraw/zinc/06/71/62/950067162.db2.gz GGWPVJZDQMUIHN-QMMMGPOBSA-N -1 3 343.355 -0.724 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCCCO1 ZINC001574976747 950099018 /nfs/dbraw/zinc/09/90/18/950099018.db2.gz ZUBPHKLKIAUKKF-CABZTGNLSA-N -1 3 347.379 -0.002 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCCO1 ZINC001574976747 950099037 /nfs/dbraw/zinc/09/90/37/950099037.db2.gz ZUBPHKLKIAUKKF-CABZTGNLSA-N -1 3 347.379 -0.002 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccon1 ZINC001574977229 950111882 /nfs/dbraw/zinc/11/18/82/950111882.db2.gz HPVQJLBAGOXWEV-ZETCQYMHSA-N -1 3 330.308 -0.269 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccon1 ZINC001574977229 950111896 /nfs/dbraw/zinc/11/18/96/950111896.db2.gz HPVQJLBAGOXWEV-ZETCQYMHSA-N -1 3 330.308 -0.269 20 0 EBADHM C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574733467 950113337 /nfs/dbraw/zinc/11/33/37/950113337.db2.gz BUZIIOLCTKLMKI-BDAKNGLRSA-N -1 3 347.383 -0.423 20 0 EBADHM C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574733467 950113347 /nfs/dbraw/zinc/11/33/47/950113347.db2.gz BUZIIOLCTKLMKI-BDAKNGLRSA-N -1 3 347.383 -0.423 20 0 EBADHM C[C@@H](N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1nnnn1C ZINC001574977255 950114223 /nfs/dbraw/zinc/11/42/23/950114223.db2.gz IJBYBKDQETUSSO-JGVFFNPUSA-N -1 3 345.371 -0.813 20 0 EBADHM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574734924 950148594 /nfs/dbraw/zinc/14/85/94/950148594.db2.gz VFUVSBTVOOQRIV-JOYOIKCWSA-N -1 3 344.379 -0.201 20 0 EBADHM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574734924 950148603 /nfs/dbraw/zinc/14/86/03/950148603.db2.gz VFUVSBTVOOQRIV-JOYOIKCWSA-N -1 3 344.379 -0.201 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCc1cnsn1 ZINC001574982420 950164484 /nfs/dbraw/zinc/16/44/84/950164484.db2.gz CIVFLVLMFAOING-ZETCQYMHSA-N -1 3 333.381 -0.046 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1cnsn1 ZINC001574982420 950164503 /nfs/dbraw/zinc/16/45/03/950164503.db2.gz CIVFLVLMFAOING-ZETCQYMHSA-N -1 3 333.381 -0.046 20 0 EBADHM C[C@H]1[C@@H](NCc2cnon2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575913004 950471400 /nfs/dbraw/zinc/47/14/00/950471400.db2.gz SMVQTYKAXMESPI-WPRPVWTQSA-N -1 3 343.351 -0.029 20 0 EBADHM C[C@@H](CC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574508186 950472063 /nfs/dbraw/zinc/47/20/63/950472063.db2.gz KFIWREIKFCSNAK-VIFPVBQESA-N -1 3 347.383 -0.739 20 0 EBADHM C[C@@H](CC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574508186 950472075 /nfs/dbraw/zinc/47/20/75/950472075.db2.gz KFIWREIKFCSNAK-VIFPVBQESA-N -1 3 347.383 -0.739 20 0 EBADHM C[C@H](CC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574508185 950472403 /nfs/dbraw/zinc/47/24/03/950472403.db2.gz KFIWREIKFCSNAK-SECBINFHSA-N -1 3 347.383 -0.739 20 0 EBADHM C[C@H](CC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574508185 950472415 /nfs/dbraw/zinc/47/24/15/950472415.db2.gz KFIWREIKFCSNAK-SECBINFHSA-N -1 3 347.383 -0.739 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cncn1C ZINC001574995353 950506276 /nfs/dbraw/zinc/50/62/76/950506276.db2.gz YXNXEDGFIQTGFR-MRVPVSSYSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cncn1C ZINC001574995353 950506294 /nfs/dbraw/zinc/50/62/94/950506294.db2.gz YXNXEDGFIQTGFR-MRVPVSSYSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnns1 ZINC001574995417 950512683 /nfs/dbraw/zinc/51/26/83/950512683.db2.gz ZTLOUJIPDCQPJY-LURJTMIESA-N -1 3 347.364 -0.405 20 0 EBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnns1 ZINC001574995417 950512702 /nfs/dbraw/zinc/51/27/02/950512702.db2.gz ZTLOUJIPDCQPJY-LURJTMIESA-N -1 3 347.364 -0.405 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1cnn(C)n1 ZINC001574997680 950548450 /nfs/dbraw/zinc/54/84/50/950548450.db2.gz VWVPDIFQTPSSAH-MRVPVSSYSA-N -1 3 330.356 -0.769 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1cnn(C)n1 ZINC001574997680 950548461 /nfs/dbraw/zinc/54/84/61/950548461.db2.gz VWVPDIFQTPSSAH-MRVPVSSYSA-N -1 3 330.356 -0.769 20 0 EBADHM C[C@@H]1[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc[nH]n1 ZINC001575918489 950593771 /nfs/dbraw/zinc/59/37/71/950593771.db2.gz CPKQADSCQMJFJN-BDAKNGLRSA-N -1 3 340.351 -0.483 20 0 EBADHM C[C@@H]1[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccn[nH]1 ZINC001575918489 950593802 /nfs/dbraw/zinc/59/38/02/950593802.db2.gz CPKQADSCQMJFJN-BDAKNGLRSA-N -1 3 340.351 -0.483 20 0 EBADHM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc[nH]n1 ZINC001575918489 950593816 /nfs/dbraw/zinc/59/38/16/950593816.db2.gz CPKQADSCQMJFJN-BDAKNGLRSA-N -1 3 340.351 -0.483 20 0 EBADHM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn[nH]1 ZINC001575918489 950593843 /nfs/dbraw/zinc/59/38/43/950593843.db2.gz CPKQADSCQMJFJN-BDAKNGLRSA-N -1 3 340.351 -0.483 20 0 EBADHM C[C@H](CN(C)C(=O)c1cn[nH]c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574760625 950671848 /nfs/dbraw/zinc/67/18/48/950671848.db2.gz KGVIQSNOMZEIBS-MRVPVSSYSA-N -1 3 343.351 -0.192 20 0 EBADHM C[C@H](CN(C)C(=O)c1cn[nH]c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574760625 950671864 /nfs/dbraw/zinc/67/18/64/950671864.db2.gz KGVIQSNOMZEIBS-MRVPVSSYSA-N -1 3 343.351 -0.192 20 0 EBADHM CC(C)(C)[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)C(N)=O ZINC001573879727 950728017 /nfs/dbraw/zinc/72/80/17/950728017.db2.gz JKWIDIDLNGQOLP-LLVKDONJSA-N -1 3 332.368 -0.310 20 0 EBADHM CC(C)(C)[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)C(N)=O ZINC001573879727 950728036 /nfs/dbraw/zinc/72/80/36/950728036.db2.gz JKWIDIDLNGQOLP-LLVKDONJSA-N -1 3 332.368 -0.310 20 0 EBADHM C[C@@H](CN(C)C(=O)c1ncn(C)n1)Nc1ncccc1-c1nnn[n-]1 ZINC001574767432 950855228 /nfs/dbraw/zinc/85/52/28/950855228.db2.gz OGGFPDYJEXNXEU-VIFPVBQESA-N -1 3 342.367 -0.037 20 0 EBADHM C[C@@H](CN(C)C(=O)c1ncn(C)n1)Nc1ncccc1-c1nn[n-]n1 ZINC001574767432 950855251 /nfs/dbraw/zinc/85/52/51/950855251.db2.gz OGGFPDYJEXNXEU-VIFPVBQESA-N -1 3 342.367 -0.037 20 0 EBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cn[nH]n1 ZINC001575011868 950864923 /nfs/dbraw/zinc/86/49/23/950864923.db2.gz STWHSXZWEGIYFS-ZETCQYMHSA-N -1 3 344.339 -0.797 20 0 EBADHM C[C@H](CN(C)C(=O)c1nc[nH]n1)Nc1ncccc1-c1nnn[n-]1 ZINC001574768049 950881792 /nfs/dbraw/zinc/88/17/92/950881792.db2.gz XETRKNXKSNEVNQ-MRVPVSSYSA-N -1 3 328.340 -0.048 20 0 EBADHM C[C@H](CN(C)C(=O)c1nc[nH]n1)Nc1ncccc1-c1nn[n-]n1 ZINC001574768049 950881814 /nfs/dbraw/zinc/88/18/14/950881814.db2.gz XETRKNXKSNEVNQ-MRVPVSSYSA-N -1 3 328.340 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ZINC001575015322 950929201 /nfs/dbraw/zinc/92/92/01/950929201.db2.gz PDPHEMUGZWKNQB-UWVGGRQHSA-N -1 3 347.379 -0.144 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCOC1 ZINC001575015321 950930404 /nfs/dbraw/zinc/93/04/04/950930404.db2.gz PDPHEMUGZWKNQB-NXEZZACHSA-N -1 3 347.379 -0.144 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCOC1 ZINC001575015321 950930422 /nfs/dbraw/zinc/93/04/22/950930422.db2.gz PDPHEMUGZWKNQB-NXEZZACHSA-N -1 3 347.379 -0.144 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC(C)(C)O ZINC001575015518 950939292 /nfs/dbraw/zinc/93/92/92/950939292.db2.gz SBNLXOVGLHNBGT-MRVPVSSYSA-N -1 3 335.368 -0.410 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC(C)(C)O ZINC001575015518 950939303 /nfs/dbraw/zinc/93/93/03/950939303.db2.gz SBNLXOVGLHNBGT-MRVPVSSYSA-N -1 3 335.368 -0.410 20 0 EBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCCO1 ZINC001575015776 950947703 /nfs/dbraw/zinc/94/77/03/950947703.db2.gz 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COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821681814 583801140 /nfs/dbraw/zinc/80/11/40/583801140.db2.gz SFEHIWVEHBVCFE-HNNXBMFYSA-N -1 3 348.363 -0.373 20 0 EBADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821681814 583801142 /nfs/dbraw/zinc/80/11/42/583801142.db2.gz SFEHIWVEHBVCFE-HNNXBMFYSA-N -1 3 348.363 -0.373 20 0 EBADHM COCCOCCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821692943 583802062 /nfs/dbraw/zinc/80/20/62/583802062.db2.gz KJAGCWOGHOOMSX-UHFFFAOYSA-N -1 3 348.363 -0.107 20 0 EBADHM COCCOCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821692943 583802063 /nfs/dbraw/zinc/80/20/63/583802063.db2.gz KJAGCWOGHOOMSX-UHFFFAOYSA-N -1 3 348.363 -0.107 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCO[C@H](CO)C1 ZINC000821700814 583802609 /nfs/dbraw/zinc/80/26/09/583802609.db2.gz ZCBNFMLWQAQHTA-NSHDSACASA-N -1 3 349.347 -0.526 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCO[C@H](CO)C1 ZINC000821700814 583802611 /nfs/dbraw/zinc/80/26/11/583802611.db2.gz 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ZINC000821927166 583806018 /nfs/dbraw/zinc/80/60/18/583806018.db2.gz SJEPUINLGIWEAI-UHFFFAOYSA-N -1 3 331.304 -0.081 20 0 EBADHM CS(=O)(=O)NCCCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821937310 583806415 /nfs/dbraw/zinc/80/64/15/583806415.db2.gz KYKQIUXCROWYCD-UHFFFAOYSA-N -1 3 330.395 -0.403 20 0 EBADHM CS(=O)(=O)NCCCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821937310 583806416 /nfs/dbraw/zinc/80/64/16/583806416.db2.gz KYKQIUXCROWYCD-UHFFFAOYSA-N -1 3 330.395 -0.403 20 0 EBADHM Cc1c(NC(=O)C(=O)NCC[S@@](C)=O)cccc1-c1nnn[n-]1 ZINC000822054051 583807652 /nfs/dbraw/zinc/80/76/52/583807652.db2.gz UKVRIQGIGAGEQD-HSZRJFAPSA-N -1 3 336.377 -0.392 20 0 EBADHM Cc1c(NC(=O)C(=O)NCC[S@@](C)=O)cccc1-c1nn[n-]n1 ZINC000822054051 583807654 /nfs/dbraw/zinc/80/76/54/583807654.db2.gz UKVRIQGIGAGEQD-HSZRJFAPSA-N -1 3 336.377 -0.392 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](CO)C1 ZINC000822215193 583808268 /nfs/dbraw/zinc/80/82/68/583808268.db2.gz PMTFWTINCNKZRG-SNVBAGLBSA-N -1 3 330.348 -0.046 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](CO)C1 ZINC000822215193 583808269 /nfs/dbraw/zinc/80/82/69/583808269.db2.gz PMTFWTINCNKZRG-SNVBAGLBSA-N -1 3 330.348 -0.046 20 0 EBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)c1-c1nnn[n-]1 ZINC000822312996 583809391 /nfs/dbraw/zinc/80/93/91/583809391.db2.gz KUYKDSOHPCJDPM-SNVBAGLBSA-N -1 3 343.347 -0.492 20 0 EBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)c1-c1nn[n-]n1 ZINC000822312996 583809392 /nfs/dbraw/zinc/80/93/92/583809392.db2.gz KUYKDSOHPCJDPM-SNVBAGLBSA-N -1 3 343.347 -0.492 20 0 EBADHM Cc1nccn1C[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822477246 583811291 /nfs/dbraw/zinc/81/12/91/583811291.db2.gz KFYXBYKSOSAAKW-NSHDSACASA-N -1 3 342.367 -0.346 20 0 EBADHM Cc1nonc1CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822531405 583812122 /nfs/dbraw/zinc/81/21/22/583812122.db2.gz ZTVRVTZOEORISE-UHFFFAOYSA-N -1 3 328.292 -0.187 20 0 EBADHM Cc1nonc1CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822531405 583812125 /nfs/dbraw/zinc/81/21/25/583812125.db2.gz ZTVRVTZOEORISE-UHFFFAOYSA-N -1 3 328.292 -0.187 20 0 EBADHM Cc1oc(NC(=O)[C@@H](C)N2C[C@@H](O)[C@@H](O)C2)c(-c2nnn[n-]2)c1C ZINC000822541654 583812149 /nfs/dbraw/zinc/81/21/49/583812149.db2.gz PEFMADNEFBDXMN-QNSHHTMESA-N -1 3 336.352 -0.559 20 0 EBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCC(=O)Nc1ccncc1 ZINC000822637644 583815481 /nfs/dbraw/zinc/81/54/81/583815481.db2.gz RIPLDKLAOWGZBS-UHFFFAOYSA-N -1 3 340.347 -0.219 20 0 EBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCC(=O)Nc1ccncc1 ZINC000822637644 583815485 /nfs/dbraw/zinc/81/54/85/583815485.db2.gz RIPLDKLAOWGZBS-UHFFFAOYSA-N -1 3 340.347 -0.219 20 0 EBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000822637033 583815685 /nfs/dbraw/zinc/81/56/85/583815685.db2.gz NFBSFEXMVCWXEW-NEPJUHHUSA-N -1 3 331.380 -0.202 20 0 EBADHM Cn1cc([C@H](O)CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822669754 583815908 /nfs/dbraw/zinc/81/59/08/583815908.db2.gz ODNAMVPXEWRYSX-CYBMUJFWSA-N -1 3 327.348 -0.008 20 0 EBADHM Cn1cc([C@H](O)CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822669754 583815909 /nfs/dbraw/zinc/81/59/09/583815909.db2.gz ODNAMVPXEWRYSX-CYBMUJFWSA-N -1 3 327.348 -0.008 20 0 EBADHM Cn1cnc2c1CCN(C[C@H]1CNc3c(-c4nnn[n-]4)cnn3C1)C2 ZINC000822699160 583816733 /nfs/dbraw/zinc/81/67/33/583816733.db2.gz QHTGAGUATZUZPH-SNVBAGLBSA-N -1 3 340.395 -0.103 20 0 EBADHM Cn1cnc2c1CCN(C[C@H]1CNc3c(-c4nn[n-]n4)cnn3C1)C2 ZINC000822699160 583816735 /nfs/dbraw/zinc/81/67/35/583816735.db2.gz QHTGAGUATZUZPH-SNVBAGLBSA-N -1 3 340.395 -0.103 20 0 EBADHM Cn1ncc2c1nnn(Cc1ccc(F)cc1-c1nnn[n-]1)c2=O ZINC000822709569 583816751 /nfs/dbraw/zinc/81/67/51/583816751.db2.gz NUICOFZKJMMSKM-UHFFFAOYSA-N -1 3 327.283 -0.108 20 0 EBADHM Cn1ncc2c1nnn(Cc1ccc(F)cc1-c1nn[n-]n1)c2=O ZINC000822709569 583816753 /nfs/dbraw/zinc/81/67/53/583816753.db2.gz NUICOFZKJMMSKM-UHFFFAOYSA-N -1 3 327.283 -0.108 20 0 EBADHM COC(OC)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000822689825 583816782 /nfs/dbraw/zinc/81/67/82/583816782.db2.gz HUNIVICVGTWVKK-UHFFFAOYSA-N -1 3 338.332 -0.022 20 0 EBADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000822850437 583818791 /nfs/dbraw/zinc/81/87/91/583818791.db2.gz HMRJAXGYTQAIBU-RYUDHWBXSA-N -1 3 342.363 -0.898 20 0 EBADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000822850437 583818792 /nfs/dbraw/zinc/81/87/92/583818792.db2.gz HMRJAXGYTQAIBU-RYUDHWBXSA-N -1 3 342.363 -0.898 20 0 EBADHM NC(=O)[C@H]1CN(CCCOc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000822864846 583819690 /nfs/dbraw/zinc/81/96/90/583819690.db2.gz NBAOEIQQWTTXSR-CYBMUJFWSA-N -1 3 332.364 -0.178 20 0 EBADHM NC(=O)[C@H]1CN(CCCOc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000822864846 583819692 /nfs/dbraw/zinc/81/96/92/583819692.db2.gz NBAOEIQQWTTXSR-CYBMUJFWSA-N -1 3 332.364 -0.178 20 0 EBADHM NC(=O)CN1CCN(CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822869436 583820095 /nfs/dbraw/zinc/82/00/95/583820095.db2.gz UXJXLJSFGHBAHD-UHFFFAOYSA-N -1 3 345.407 -0.262 20 0 EBADHM NC(=O)CN1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822869436 583820096 /nfs/dbraw/zinc/82/00/96/583820096.db2.gz UXJXLJSFGHBAHD-UHFFFAOYSA-N -1 3 345.407 -0.262 20 0 EBADHM NC(=O)Cn1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)nn1 ZINC000822873838 583820119 /nfs/dbraw/zinc/82/01/19/583820119.db2.gz MCMRCYWDYLKHOY-UHFFFAOYSA-N -1 3 345.298 -0.987 20 0 EBADHM NC(=O)Cn1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)nn1 ZINC000822873838 583820120 /nfs/dbraw/zinc/82/01/20/583820120.db2.gz MCMRCYWDYLKHOY-UHFFFAOYSA-N -1 3 345.298 -0.987 20 0 EBADHM NC(=O)Cn1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)nn1 ZINC000822874336 583820550 /nfs/dbraw/zinc/82/05/50/583820550.db2.gz XYZVHGZKZWVKCC-UHFFFAOYSA-N -1 3 346.282 -0.560 20 0 EBADHM NC(=O)Cn1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)nn1 ZINC000822874336 583820553 /nfs/dbraw/zinc/82/05/53/583820553.db2.gz XYZVHGZKZWVKCC-UHFFFAOYSA-N -1 3 346.282 -0.560 20 0 EBADHM NC(=O)c1cc(CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)on1 ZINC000822880485 583820606 /nfs/dbraw/zinc/82/06/06/583820606.db2.gz PTKSOGHQZUZHQP-UHFFFAOYSA-N -1 3 327.304 -0.188 20 0 EBADHM NC(=O)c1cc(CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)on1 ZINC000822880485 583820608 /nfs/dbraw/zinc/82/06/08/583820608.db2.gz PTKSOGHQZUZHQP-UHFFFAOYSA-N -1 3 327.304 -0.188 20 0 EBADHM NS(=O)(=O)[C@@H]1CCN(CCOc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000822895186 583820839 /nfs/dbraw/zinc/82/08/39/583820839.db2.gz NBZWWFONZYUTNH-GFCCVEGCSA-N -1 3 338.393 -0.392 20 0 EBADHM NS(=O)(=O)[C@@H]1CCN(CCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822895186 583820841 /nfs/dbraw/zinc/82/08/41/583820841.db2.gz NBZWWFONZYUTNH-GFCCVEGCSA-N -1 3 338.393 -0.392 20 0 EBADHM NS(=O)(=O)c1ccc(N2CC[C@H](CCO)C2)c(-c2nnn[n-]2)c1 ZINC000822894597 583820852 /nfs/dbraw/zinc/82/08/52/583820852.db2.gz CRDXKPWKLHHOSB-SECBINFHSA-N -1 3 338.393 -0.277 20 0 EBADHM NS(=O)(=O)c1ccc(N2CC[C@H](CCO)C2)c(-c2nn[n-]n2)c1 ZINC000822894597 583820854 /nfs/dbraw/zinc/82/08/54/583820854.db2.gz CRDXKPWKLHHOSB-SECBINFHSA-N -1 3 338.393 -0.277 20 0 EBADHM NS(=O)(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000822895893 583821124 /nfs/dbraw/zinc/82/11/24/583821124.db2.gz ZWQLUILVDCRYQR-UHFFFAOYSA-N -1 3 341.372 -0.673 20 0 EBADHM NS(=O)(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000822895893 583821126 /nfs/dbraw/zinc/82/11/26/583821126.db2.gz ZWQLUILVDCRYQR-UHFFFAOYSA-N -1 3 341.372 -0.673 20 0 EBADHM NS(=O)(=O)c1ccc(NC[C@H]2COCCO2)c(-c2nnn[n-]2)c1 ZINC000822899272 583821142 /nfs/dbraw/zinc/82/11/42/583821142.db2.gz FHNCLEGBCXPFCK-QMMMGPOBSA-N -1 3 340.365 -0.659 20 0 EBADHM NS(=O)(=O)c1ccc(NC[C@H]2COCCO2)c(-c2nn[n-]n2)c1 ZINC000822899272 583821144 /nfs/dbraw/zinc/82/11/44/583821144.db2.gz FHNCLEGBCXPFCK-QMMMGPOBSA-N -1 3 340.365 -0.659 20 0 EBADHM Nc1ncncc1CNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822907426 583821661 /nfs/dbraw/zinc/82/16/61/583821661.db2.gz MDDRXHDRAUNRBF-UHFFFAOYSA-N -1 3 326.320 -0.066 20 0 EBADHM Nc1ncncc1CNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822907426 583821662 /nfs/dbraw/zinc/82/16/62/583821662.db2.gz MDDRXHDRAUNRBF-UHFFFAOYSA-N -1 3 326.320 -0.066 20 0 EBADHM O=C(CCN1CCO[C@@H](CO)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822969431 583822169 /nfs/dbraw/zinc/82/21/69/583822169.db2.gz OINWWPPFIANTLX-CYBMUJFWSA-N -1 3 332.364 -0.112 20 0 EBADHM O=C(CCN1CCO[C@@H](CO)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822969431 583822170 /nfs/dbraw/zinc/82/21/70/583822170.db2.gz OINWWPPFIANTLX-CYBMUJFWSA-N -1 3 332.364 -0.112 20 0 EBADHM O=C(CN1CCN2C(=O)OC[C@@H]2C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823000921 583822577 /nfs/dbraw/zinc/82/25/77/583822577.db2.gz DZGLTMCGVSMUHG-LBPRGKRZSA-N -1 3 343.347 -0.058 20 0 EBADHM O=C(CN1CCN2C(=O)OC[C@@H]2C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823000921 583822580 /nfs/dbraw/zinc/82/25/80/583822580.db2.gz DZGLTMCGVSMUHG-LBPRGKRZSA-N -1 3 343.347 -0.058 20 0 EBADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)NC1CC1 ZINC000823002066 583822652 /nfs/dbraw/zinc/82/26/52/583822652.db2.gz RUQZCLKTPWDXNG-UHFFFAOYSA-N -1 3 347.310 -0.661 20 0 EBADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)NC1CC1 ZINC000823002066 583822655 /nfs/dbraw/zinc/82/26/55/583822655.db2.gz RUQZCLKTPWDXNG-UHFFFAOYSA-N -1 3 347.310 -0.661 20 0 EBADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000823050158 583823391 /nfs/dbraw/zinc/82/33/91/583823391.db2.gz RBSBYAVVFJNVTA-SNVBAGLBSA-N -1 3 343.347 -0.519 20 0 EBADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000823050158 583823393 /nfs/dbraw/zinc/82/33/93/583823393.db2.gz RBSBYAVVFJNVTA-SNVBAGLBSA-N -1 3 343.347 -0.519 20 0 EBADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCc1nnnn1C1CC1 ZINC000823044702 583823438 /nfs/dbraw/zinc/82/34/38/583823438.db2.gz ZGIPIUYJIQSMAZ-UHFFFAOYSA-N -1 3 341.335 -0.117 20 0 EBADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCc1nnnn1C1CC1 ZINC000823044702 583823440 /nfs/dbraw/zinc/82/34/40/583823440.db2.gz ZGIPIUYJIQSMAZ-UHFFFAOYSA-N -1 3 341.335 -0.117 20 0 EBADHM O=C(NCCOc1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](CO)C1 ZINC000823210566 583826605 /nfs/dbraw/zinc/82/66/05/583826605.db2.gz BMLUYSCXWZHVPI-CYBMUJFWSA-N -1 3 348.363 -0.352 20 0 EBADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](CO)C1 ZINC000823210566 583826607 /nfs/dbraw/zinc/82/66/07/583826607.db2.gz BMLUYSCXWZHVPI-CYBMUJFWSA-N -1 3 348.363 -0.352 20 0 EBADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CC[C@H](CO)C1 ZINC000823318359 583827921 /nfs/dbraw/zinc/82/79/21/583827921.db2.gz CZVXTGALISXGBM-QMMMGPOBSA-N -1 3 334.311 -0.215 20 0 EBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CC[C@H](CO)C1 ZINC000823318359 583827923 /nfs/dbraw/zinc/82/79/23/583827923.db2.gz CZVXTGALISXGBM-QMMMGPOBSA-N -1 3 334.311 -0.215 20 0 EBADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000823331113 583828261 /nfs/dbraw/zinc/82/82/61/583828261.db2.gz ABJAYQHRUQMXNA-DTWKUNHWSA-N -1 3 346.322 -0.003 20 0 EBADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000823331113 583828262 /nfs/dbraw/zinc/82/82/62/583828262.db2.gz ABJAYQHRUQMXNA-DTWKUNHWSA-N -1 3 346.322 -0.003 20 0 EBADHM O=C(OCCN1CCCS1(=O)=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823405720 583829244 /nfs/dbraw/zinc/82/92/44/583829244.db2.gz TXSPMBQEKLKFCT-UHFFFAOYSA-N -1 3 326.338 -0.613 20 0 EBADHM O=C(OCCN1CCCS1(=O)=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823405720 583829247 /nfs/dbraw/zinc/82/92/47/583829247.db2.gz TXSPMBQEKLKFCT-UHFFFAOYSA-N -1 3 326.338 -0.613 20 0 EBADHM O=C(COc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCC(=O)NC1=O ZINC000823525108 583830800 /nfs/dbraw/zinc/83/08/00/583830800.db2.gz GKBVFCSKCSPBPJ-SNVBAGLBSA-N -1 3 330.304 -0.833 20 0 EBADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCC(=O)NC1=O ZINC000823525108 583830803 /nfs/dbraw/zinc/83/08/03/583830803.db2.gz GKBVFCSKCSPBPJ-SNVBAGLBSA-N -1 3 330.304 -0.833 20 0 EBADHM O=C1NC[C@H]2CN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CCN12 ZINC000823541292 583831561 /nfs/dbraw/zinc/83/15/61/583831561.db2.gz OFYSHEOYOKONIM-JTQLQIEISA-N -1 3 349.376 -0.735 20 0 EBADHM O=C1NC[C@H]2CN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CCN12 ZINC000823541292 583831563 /nfs/dbraw/zinc/83/15/63/583831563.db2.gz OFYSHEOYOKONIM-JTQLQIEISA-N -1 3 349.376 -0.735 20 0 EBADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@H](NC(N)=O)C1 ZINC000824045217 583840662 /nfs/dbraw/zinc/84/06/62/583840662.db2.gz JFZCWJGGTITRSZ-UWVGGRQHSA-N -1 3 344.379 -0.064 20 0 EBADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@H](NC(N)=O)C1 ZINC000824045217 583840663 /nfs/dbraw/zinc/84/06/63/583840663.db2.gz JFZCWJGGTITRSZ-UWVGGRQHSA-N -1 3 344.379 -0.064 20 0 EBADHM C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824058894 583840930 /nfs/dbraw/zinc/84/09/30/583840930.db2.gz HRPKNELMSHSRPG-LURJTMIESA-N -1 3 328.329 -0.500 20 0 EBADHM C[C@@H](CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCOCC1 ZINC000824420429 583845443 /nfs/dbraw/zinc/84/54/43/583845443.db2.gz JXYWREJIDMLEDV-FZMZJTMJSA-N -1 3 346.391 -0.263 20 0 EBADHM C[C@@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000824420429 583845445 /nfs/dbraw/zinc/84/54/45/583845445.db2.gz JXYWREJIDMLEDV-FZMZJTMJSA-N -1 3 346.391 -0.263 20 0 EBADHM C[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)S(N)(=O)=O ZINC000824421828 583845699 /nfs/dbraw/zinc/84/56/99/583845699.db2.gz VZYKMSABTRYJGZ-LURJTMIESA-N -1 3 343.344 -0.196 20 0 EBADHM C[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)S(N)(=O)=O ZINC000824421828 583845700 /nfs/dbraw/zinc/84/57/00/583845700.db2.gz VZYKMSABTRYJGZ-LURJTMIESA-N -1 3 343.344 -0.196 20 0 EBADHM C[C@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)NC(=O)[O-] ZINC000824589628 583847713 /nfs/dbraw/zinc/84/77/13/583847713.db2.gz FQSMPUZDWPDZMO-NEPJUHHUSA-N -1 3 326.397 -0.202 20 0 EBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)C(N)=O ZINC000824640438 583847983 /nfs/dbraw/zinc/84/79/83/583847983.db2.gz ISFGXBNQGGPSEV-RXMQYKEDSA-N -1 3 330.757 -0.328 20 0 EBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000824650869 583848217 /nfs/dbraw/zinc/84/82/17/583848217.db2.gz VHMDXBDIYPQCDK-SSDOTTSWSA-N -1 3 343.340 -0.013 20 0 EBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000824650869 583848218 /nfs/dbraw/zinc/84/82/18/583848218.db2.gz VHMDXBDIYPQCDK-SSDOTTSWSA-N -1 3 343.340 -0.013 20 0 EBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000824650207 583848221 /nfs/dbraw/zinc/84/82/21/583848221.db2.gz QAPKIKRZHDXMNO-SSDOTTSWSA-N -1 3 343.340 -0.013 20 0 EBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000824650207 583848222 /nfs/dbraw/zinc/84/82/22/583848222.db2.gz QAPKIKRZHDXMNO-SSDOTTSWSA-N -1 3 343.340 -0.013 20 0 EBADHM C[C@@H](O)C(=O)N1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000824679276 583848628 /nfs/dbraw/zinc/84/86/28/583848628.db2.gz RUCJKXKKAOUQMA-MRVPVSSYSA-N -1 3 336.377 -0.407 20 0 EBADHM C[C@@H](O)C(=O)N1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000824679276 583848630 /nfs/dbraw/zinc/84/86/30/583848630.db2.gz RUCJKXKKAOUQMA-MRVPVSSYSA-N -1 3 336.377 -0.407 20 0 EBADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824679819 583848704 /nfs/dbraw/zinc/84/87/04/583848704.db2.gz WCQQNAWMEDHGCI-TVQRCGJNSA-N -1 3 344.375 -0.242 20 0 EBADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824679819 583848707 /nfs/dbraw/zinc/84/87/07/583848707.db2.gz WCQQNAWMEDHGCI-TVQRCGJNSA-N -1 3 344.375 -0.242 20 0 EBADHM CCOC(=O)C[C@@H](NC(=O)NN1CC(=O)[N-]C1=O)C(F)(F)F ZINC000824761528 583849913 /nfs/dbraw/zinc/84/99/13/583849913.db2.gz FUTMTHHBAPAZTB-RXMQYKEDSA-N -1 3 326.231 -0.364 20 0 EBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@]1(O)CCOC1 ZINC000824745569 583849918 /nfs/dbraw/zinc/84/99/18/583849918.db2.gz RXGTUIGUVJNEIM-MEBBXXQBSA-N -1 3 333.348 -0.098 20 0 EBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@]1(O)CCOC1 ZINC000824745569 583849919 /nfs/dbraw/zinc/84/99/19/583849919.db2.gz RXGTUIGUVJNEIM-MEBBXXQBSA-N -1 3 333.348 -0.098 20 0 EBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCc1nnnn1C ZINC000824745102 583849973 /nfs/dbraw/zinc/84/99/73/583849973.db2.gz MKYQKNYTTBGWTF-SECBINFHSA-N -1 3 343.351 -0.484 20 0 EBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCc1nnnn1C ZINC000824745102 583849975 /nfs/dbraw/zinc/84/99/75/583849975.db2.gz MKYQKNYTTBGWTF-SECBINFHSA-N -1 3 343.351 -0.484 20 0 EBADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000824976254 583853290 /nfs/dbraw/zinc/85/32/90/583853290.db2.gz NRBCOPGIFLUTBR-MFKMUULPSA-N -1 3 331.380 -0.013 20 0 EBADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000824976254 583853291 /nfs/dbraw/zinc/85/32/91/583853291.db2.gz NRBCOPGIFLUTBR-MFKMUULPSA-N -1 3 331.380 -0.013 20 0 EBADHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C[C@@H]1CNC(=O)O1 ZINC000825000213 583853731 /nfs/dbraw/zinc/85/37/31/583853731.db2.gz OFIWCPAYLJYESR-UWVGGRQHSA-N -1 3 345.367 -0.724 20 0 EBADHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C[C@@H]1CNC(=O)O1 ZINC000825000213 583853732 /nfs/dbraw/zinc/85/37/32/583853732.db2.gz OFIWCPAYLJYESR-UWVGGRQHSA-N -1 3 345.367 -0.724 20 0 EBADHM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825006707 583854200 /nfs/dbraw/zinc/85/42/00/583854200.db2.gz OHGOTONPCKUWDM-UWVGGRQHSA-N -1 3 339.377 -0.363 20 0 EBADHM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825006707 583854202 /nfs/dbraw/zinc/85/42/02/583854202.db2.gz OHGOTONPCKUWDM-UWVGGRQHSA-N -1 3 339.377 -0.363 20 0 EBADHM CCOC(=O)C(C)(C)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000825486060 583861823 /nfs/dbraw/zinc/86/18/23/583861823.db2.gz MSNXYYCJZINPRQ-UHFFFAOYSA-N -1 3 337.340 -0.222 20 0 EBADHM CCOC(=O)C(C)(C)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000825486060 583861825 /nfs/dbraw/zinc/86/18/25/583861825.db2.gz MSNXYYCJZINPRQ-UHFFFAOYSA-N -1 3 337.340 -0.222 20 0 EBADHM CN(C)C(=O)CN1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000825839154 583867894 /nfs/dbraw/zinc/86/78/94/583867894.db2.gz GMLXFWWJSVMMNZ-UHFFFAOYSA-N -1 3 346.395 -0.523 20 0 EBADHM CN(C)C(=O)CN1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000825839154 583867895 /nfs/dbraw/zinc/86/78/95/583867895.db2.gz GMLXFWWJSVMMNZ-UHFFFAOYSA-N -1 3 346.395 -0.523 20 0 EBADHM CN(C)C(=O)Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC000825845115 583868569 /nfs/dbraw/zinc/86/85/69/583868569.db2.gz CNAKQSBFRSMPLJ-UHFFFAOYSA-N -1 3 329.324 -0.268 20 0 EBADHM CN(C)C(=O)Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC000825845115 583868571 /nfs/dbraw/zinc/86/85/71/583868571.db2.gz CNAKQSBFRSMPLJ-UHFFFAOYSA-N -1 3 329.324 -0.268 20 0 EBADHM CN(CC(=O)N1CCCC1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825888625 583869715 /nfs/dbraw/zinc/86/97/15/583869715.db2.gz SYUHDVCMMUEVJP-AWEZNQCLSA-N -1 3 344.375 -0.019 20 0 EBADHM CN(CC(=O)N1CCCC1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825888625 583869717 /nfs/dbraw/zinc/86/97/17/583869717.db2.gz SYUHDVCMMUEVJP-AWEZNQCLSA-N -1 3 344.375 -0.019 20 0 EBADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CCCN1C ZINC000825923287 583870942 /nfs/dbraw/zinc/87/09/42/583870942.db2.gz FOUPYFFSCNVYBI-SNVBAGLBSA-N -1 3 333.400 -0.343 20 0 EBADHM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CCCN1C ZINC000825923287 583870945 /nfs/dbraw/zinc/87/09/45/583870945.db2.gz FOUPYFFSCNVYBI-SNVBAGLBSA-N -1 3 333.400 -0.343 20 0 EBADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC(=O)NCC1CC1 ZINC000825934317 583871425 /nfs/dbraw/zinc/87/14/25/583871425.db2.gz MHNDSUVMOSDAHM-UHFFFAOYSA-N -1 3 333.400 -0.437 20 0 EBADHM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)CC(=O)NCC1CC1 ZINC000825934317 583871428 /nfs/dbraw/zinc/87/14/28/583871428.db2.gz MHNDSUVMOSDAHM-UHFFFAOYSA-N -1 3 333.400 -0.437 20 0 EBADHM C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[C@@H]1NC(=O)[O-] ZINC000825967121 583872215 /nfs/dbraw/zinc/87/22/15/583872215.db2.gz ARWTYPJOORKPLU-AGIUHOORSA-N -1 3 340.424 -0.099 20 0 EBADHM CNC(=O)[C@H]1CN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000826060388 583876055 /nfs/dbraw/zinc/87/60/55/583876055.db2.gz LXKMWJLYNLEQKR-CHWSQXEVSA-N -1 3 332.364 -0.653 20 0 EBADHM CNC(=O)[C@H]1CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826060388 583876056 /nfs/dbraw/zinc/87/60/56/583876056.db2.gz LXKMWJLYNLEQKR-CHWSQXEVSA-N -1 3 332.364 -0.653 20 0 EBADHM CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000826060992 583876521 /nfs/dbraw/zinc/87/65/21/583876521.db2.gz XWTBGARNXAEDRY-LBPRGKRZSA-N -1 3 345.363 -0.748 20 0 EBADHM CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826060992 583876522 /nfs/dbraw/zinc/87/65/22/583876522.db2.gz XWTBGARNXAEDRY-LBPRGKRZSA-N -1 3 345.363 -0.748 20 0 EBADHM CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826061117 583876609 /nfs/dbraw/zinc/87/66/09/583876609.db2.gz ZZQJDLBPZXDUMF-OLZOCXBDSA-N -1 3 344.375 -0.115 20 0 EBADHM CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826061117 583876611 /nfs/dbraw/zinc/87/66/11/583876611.db2.gz ZZQJDLBPZXDUMF-OLZOCXBDSA-N -1 3 344.375 -0.115 20 0 EBADHM CNS(=O)(=O)CCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826090985 583878019 /nfs/dbraw/zinc/87/80/19/583878019.db2.gz TYDAQDFJZOAPBK-UHFFFAOYSA-N -1 3 343.340 -0.012 20 0 EBADHM CNS(=O)(=O)CCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826090985 583878021 /nfs/dbraw/zinc/87/80/21/583878021.db2.gz TYDAQDFJZOAPBK-UHFFFAOYSA-N -1 3 343.340 -0.012 20 0 EBADHM COC(=O)[C@H](CO)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826103026 583878263 /nfs/dbraw/zinc/87/82/63/583878263.db2.gz BUQZOYSTSGQEAF-JTQLQIEISA-N -1 3 337.361 -0.391 20 0 EBADHM COC(=O)[C@H](CO)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826103026 583878264 /nfs/dbraw/zinc/87/82/64/583878264.db2.gz BUQZOYSTSGQEAF-JTQLQIEISA-N -1 3 337.361 -0.391 20 0 EBADHM COC(=O)[C@H](NCc1ncn(C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111346 583879223 /nfs/dbraw/zinc/87/92/23/583879223.db2.gz DCKRXAFGQXZGRZ-GFCCVEGCSA-N -1 3 328.336 -0.001 20 0 EBADHM COC(=O)[C@H](NCc1ncn(C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111346 583879225 /nfs/dbraw/zinc/87/92/25/583879225.db2.gz DCKRXAFGQXZGRZ-GFCCVEGCSA-N -1 3 328.336 -0.001 20 0 EBADHM COC(=O)[C@@H](NCc1ncn(C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826112353 583879358 /nfs/dbraw/zinc/87/93/58/583879358.db2.gz YHXAVVKWWBHZAO-LBPRGKRZSA-N -1 3 328.336 -0.001 20 0 EBADHM COC(=O)[C@@H](NCc1ncn(C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826112353 583879359 /nfs/dbraw/zinc/87/93/59/583879359.db2.gz YHXAVVKWWBHZAO-LBPRGKRZSA-N -1 3 328.336 -0.001 20 0 EBADHM COC(=O)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826138212 583882318 /nfs/dbraw/zinc/88/23/18/583882318.db2.gz KNXRTAZFEMVHAT-UHFFFAOYSA-N -1 3 325.350 -0.031 20 0 EBADHM COC(=O)CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826138212 583882319 /nfs/dbraw/zinc/88/23/19/583882319.db2.gz KNXRTAZFEMVHAT-UHFFFAOYSA-N -1 3 325.350 -0.031 20 0 EBADHM COCC(=O)N(C)CC(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000826147736 583883276 /nfs/dbraw/zinc/88/32/76/583883276.db2.gz KHGCRMHXNHAHHJ-UHFFFAOYSA-N -1 3 349.351 -0.678 20 0 EBADHM COCC(=O)N(C)CC(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000826147736 583883278 /nfs/dbraw/zinc/88/32/78/583883278.db2.gz KHGCRMHXNHAHHJ-UHFFFAOYSA-N -1 3 349.351 -0.678 20 0 EBADHM COC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826148657 583883405 /nfs/dbraw/zinc/88/34/05/583883405.db2.gz NUTOHTTYASZIPC-ZDUSSCGKSA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826148657 583883408 /nfs/dbraw/zinc/88/34/08/583883408.db2.gz NUTOHTTYASZIPC-ZDUSSCGKSA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@H](CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)OC ZINC000826149869 583883912 /nfs/dbraw/zinc/88/39/12/583883912.db2.gz QUEZKVYQUMLTPG-JTQLQIEISA-N -1 3 327.366 -0.194 20 0 EBADHM COC[C@H](CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)OC ZINC000826149869 583883913 /nfs/dbraw/zinc/88/39/13/583883913.db2.gz QUEZKVYQUMLTPG-JTQLQIEISA-N -1 3 327.366 -0.194 20 0 EBADHM COC[C@@H](Cn1cncn1)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000826149414 583883959 /nfs/dbraw/zinc/88/39/59/583883959.db2.gz HBIDKAPDELPMCS-SNVBAGLBSA-N -1 3 332.324 -0.331 20 0 EBADHM COC[C@@H](Cn1cncn1)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000826149414 583883960 /nfs/dbraw/zinc/88/39/60/583883960.db2.gz HBIDKAPDELPMCS-SNVBAGLBSA-N -1 3 332.324 -0.331 20 0 EBADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000826150266 583884190 /nfs/dbraw/zinc/88/41/90/583884190.db2.gz AFRGUBANHIXKGT-JTQLQIEISA-N -1 3 341.349 -0.667 20 0 EBADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000826150266 583884191 /nfs/dbraw/zinc/88/41/91/583884191.db2.gz AFRGUBANHIXKGT-JTQLQIEISA-N -1 3 341.349 -0.667 20 0 EBADHM COC[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)C(=O)OC ZINC000826150364 583884344 /nfs/dbraw/zinc/88/43/44/583884344.db2.gz CEDYOMXZGZPODL-MRVPVSSYSA-N -1 3 340.727 -0.167 20 0 EBADHM COC[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)C(=O)OC ZINC000826150364 583884346 /nfs/dbraw/zinc/88/43/46/583884346.db2.gz CEDYOMXZGZPODL-MRVPVSSYSA-N -1 3 340.727 -0.167 20 0 EBADHM COC[C@@H](O)C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826152115 583884717 /nfs/dbraw/zinc/88/47/17/583884717.db2.gz RDKYRDGCWFKGGT-VXGBXAGGSA-N -1 3 347.331 -0.478 20 0 EBADHM COC[C@@H](O)C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826152115 583884719 /nfs/dbraw/zinc/88/47/19/583884719.db2.gz RDKYRDGCWFKGGT-VXGBXAGGSA-N -1 3 347.331 -0.478 20 0 EBADHM COCC1(O)CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826153116 583885030 /nfs/dbraw/zinc/88/50/30/583885030.db2.gz BTWSBGUXDBJPEE-ZDUSSCGKSA-N -1 3 346.391 -0.134 20 0 EBADHM COCC1(O)CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826153116 583885031 /nfs/dbraw/zinc/88/50/31/583885031.db2.gz BTWSBGUXDBJPEE-ZDUSSCGKSA-N -1 3 346.391 -0.134 20 0 EBADHM COCC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826153793 583885097 /nfs/dbraw/zinc/88/50/97/583885097.db2.gz AEQZHVBSZIOGFY-CABZTGNLSA-N -1 3 348.363 -0.359 20 0 EBADHM COCC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826153793 583885098 /nfs/dbraw/zinc/88/50/98/583885098.db2.gz AEQZHVBSZIOGFY-CABZTGNLSA-N -1 3 348.363 -0.359 20 0 EBADHM COCCCOCC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826156385 583885286 /nfs/dbraw/zinc/88/52/86/583885286.db2.gz AMQWRGYZZSTVSE-UHFFFAOYSA-N -1 3 335.368 -0.157 20 0 EBADHM COCCCOCC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826156385 583885287 /nfs/dbraw/zinc/88/52/87/583885287.db2.gz AMQWRGYZZSTVSE-UHFFFAOYSA-N -1 3 335.368 -0.157 20 0 EBADHM COCCCN(C)CCNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826155871 583885622 /nfs/dbraw/zinc/88/56/22/583885622.db2.gz FXWSSIDATJVBGS-UHFFFAOYSA-N -1 3 337.384 -0.210 20 0 EBADHM COCCN1CCC[C@@H](NC(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826159746 583885841 /nfs/dbraw/zinc/88/58/41/583885841.db2.gz QHPQCOZKGJSFLX-LLVKDONJSA-N -1 3 349.395 -0.067 20 0 EBADHM COCCN1CCC[C@@H](NC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826159746 583885842 /nfs/dbraw/zinc/88/58/42/583885842.db2.gz QHPQCOZKGJSFLX-LLVKDONJSA-N -1 3 349.395 -0.067 20 0 EBADHM COCCN(CCO)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826158159 583885844 /nfs/dbraw/zinc/88/58/44/583885844.db2.gz DBLGLYVCPHZJJB-UHFFFAOYSA-N -1 3 341.393 -0.195 20 0 EBADHM COCCN(CCO)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826158159 583885845 /nfs/dbraw/zinc/88/58/45/583885845.db2.gz DBLGLYVCPHZJJB-UHFFFAOYSA-N -1 3 341.393 -0.195 20 0 EBADHM COCCN1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1=O ZINC000826159838 583885927 /nfs/dbraw/zinc/88/59/27/583885927.db2.gz UOTMTOLFRUVKFX-UHFFFAOYSA-N -1 3 333.352 -0.864 20 0 EBADHM COCCN1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1=O ZINC000826159838 583885928 /nfs/dbraw/zinc/88/59/28/583885928.db2.gz UOTMTOLFRUVKFX-UHFFFAOYSA-N -1 3 333.352 -0.864 20 0 EBADHM COCCN1CC(=O)N(CCNc2ccc(-c3nnn[n-]3)cn2)C1=O ZINC000826159923 583886397 /nfs/dbraw/zinc/88/63/97/583886397.db2.gz XTVPHWGIWQHUSA-UHFFFAOYSA-N -1 3 346.351 -0.416 20 0 EBADHM COCCN1CC(=O)N(CCNc2ccc(-c3nn[n-]n3)cn2)C1=O ZINC000826159923 583886399 /nfs/dbraw/zinc/88/63/99/583886399.db2.gz XTVPHWGIWQHUSA-UHFFFAOYSA-N -1 3 346.351 -0.416 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1CN1CC[C@@]2(C1)NC(=O)NC2=O ZINC000826182477 583887050 /nfs/dbraw/zinc/88/70/50/583887050.db2.gz KVMBNILFSSMWKG-HNNXBMFYSA-N -1 3 343.347 -0.341 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(=O)NCCO ZINC000826185470 583887261 /nfs/dbraw/zinc/88/72/61/583887261.db2.gz KZJRWJKZNKPEMN-UHFFFAOYSA-N -1 3 335.324 -0.895 20 0 EBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(=O)NCCO ZINC000826185470 583887265 /nfs/dbraw/zinc/88/72/65/583887265.db2.gz KZJRWJKZNKPEMN-UHFFFAOYSA-N -1 3 335.324 -0.895 20 0 EBADHM COc1ccc(CNC(=O)N2CCN(C)C(=O)C2)cc1-c1nnn[n-]1 ZINC000826197883 583887686 /nfs/dbraw/zinc/88/76/86/583887686.db2.gz GDCMRWRSUSOGRT-UHFFFAOYSA-N -1 3 345.363 -0.141 20 0 EBADHM COc1ccc(CNC(=O)N2CCN(C)C(=O)C2)cc1-c1nn[n-]n1 ZINC000826197883 583887687 /nfs/dbraw/zinc/88/76/87/583887687.db2.gz GDCMRWRSUSOGRT-UHFFFAOYSA-N -1 3 345.363 -0.141 20 0 EBADHM COc1ccc(CNC(=O)[C@H]2CN(C)CCO2)cc1-c1nnn[n-]1 ZINC000826196908 583887735 /nfs/dbraw/zinc/88/77/35/583887735.db2.gz SBLLURYDHOVMMN-CYBMUJFWSA-N -1 3 332.364 -0.178 20 0 EBADHM COc1ccc(CNC(=O)[C@H]2CN(C)CCO2)cc1-c1nn[n-]n1 ZINC000826196908 583887736 /nfs/dbraw/zinc/88/77/36/583887736.db2.gz SBLLURYDHOVMMN-CYBMUJFWSA-N -1 3 332.364 -0.178 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000826245860 583889494 /nfs/dbraw/zinc/88/94/94/583889494.db2.gz KBKIJGVNBYZEAP-NSHDSACASA-N -1 3 341.331 -0.449 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(CC(=O)NC3CC3)CC2)n1 ZINC000826274860 583890232 /nfs/dbraw/zinc/89/02/32/583890232.db2.gz HFWCLZPPVLVTMP-UHFFFAOYSA-N -1 3 342.407 -0.029 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(CC(=O)NC3CC3)CC2)n1 ZINC000826274860 583890234 /nfs/dbraw/zinc/89/02/34/583890234.db2.gz HFWCLZPPVLVTMP-UHFFFAOYSA-N -1 3 342.407 -0.029 20 0 EBADHM Cc1cccc(NC(=O)C(=O)NCc2cn(C)nn2)c1-c1nnn[n-]1 ZINC000826299174 583890820 /nfs/dbraw/zinc/89/08/20/583890820.db2.gz UMWGPGCWNOFQFR-UHFFFAOYSA-N -1 3 341.335 -0.441 20 0 EBADHM Cc1cccc(NC(=O)C(=O)NCc2cn(C)nn2)c1-c1nn[n-]n1 ZINC000826299174 583890821 /nfs/dbraw/zinc/89/08/21/583890821.db2.gz UMWGPGCWNOFQFR-UHFFFAOYSA-N -1 3 341.335 -0.441 20 0 EBADHM Cc1cccc(S(=O)(=O)NCC(=O)NC2CC2)c1-c1nnn[n-]1 ZINC000826302480 583890916 /nfs/dbraw/zinc/89/09/16/583890916.db2.gz KPEXQTFSJVBBHX-UHFFFAOYSA-N -1 3 336.377 -0.268 20 0 EBADHM Cc1cccc(S(=O)(=O)NCC(=O)NC2CC2)c1-c1nn[n-]n1 ZINC000826302480 583890917 /nfs/dbraw/zinc/89/09/17/583890917.db2.gz KPEXQTFSJVBBHX-UHFFFAOYSA-N -1 3 336.377 -0.268 20 0 EBADHM Cc1nnc(CCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)[nH]1 ZINC000826325075 583891395 /nfs/dbraw/zinc/89/13/95/583891395.db2.gz NBFKNJFMONTTGN-GFCCVEGCSA-N -1 3 328.336 -0.314 20 0 EBADHM Cc1nnc(CCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000826325075 583891397 /nfs/dbraw/zinc/89/13/97/583891397.db2.gz NBFKNJFMONTTGN-GFCCVEGCSA-N -1 3 328.336 -0.314 20 0 EBADHM Cc1onc(CC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826345413 583892607 /nfs/dbraw/zinc/89/26/07/583892607.db2.gz KPGINHASYIXDBR-UWVGGRQHSA-N -1 3 349.395 -0.069 20 0 EBADHM Cc1onc(CC(=O)NC[C@@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826346511 583892854 /nfs/dbraw/zinc/89/28/54/583892854.db2.gz OBWBMWNEOIOSPW-SECBINFHSA-N -1 3 335.368 -0.457 20 0 EBADHM Cc1onc(CC(=O)NCCN2CCOCC2(C)C)c1-c1nnn[n-]1 ZINC000826347070 583893084 /nfs/dbraw/zinc/89/30/84/583893084.db2.gz DIPKPXWZFQMKIO-UHFFFAOYSA-N -1 3 349.395 -0.067 20 0 EBADHM CN1C(=S)N=NC1CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826355531 583893449 /nfs/dbraw/zinc/89/34/49/583893449.db2.gz DOVJOGULYRQSFL-JTQLQIEISA-N -1 3 346.376 -0.366 20 0 EBADHM CN1C(=S)N=NC1CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826355531 583893451 /nfs/dbraw/zinc/89/34/51/583893451.db2.gz DOVJOGULYRQSFL-JTQLQIEISA-N -1 3 346.376 -0.366 20 0 EBADHM Cn1cc([C@@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826360045 583894433 /nfs/dbraw/zinc/89/44/33/583894433.db2.gz VYDVFKFWVGHOTG-LBPRGKRZSA-N -1 3 349.376 -0.388 20 0 EBADHM Cn1cc([C@@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826360045 583894434 /nfs/dbraw/zinc/89/44/34/583894434.db2.gz VYDVFKFWVGHOTG-LBPRGKRZSA-N -1 3 349.376 -0.388 20 0 EBADHM Cn1cc(N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2=O)cn1 ZINC000826362123 583894519 /nfs/dbraw/zinc/89/45/19/583894519.db2.gz DXYYFGGPGLDXAT-UHFFFAOYSA-N -1 3 341.335 -0.583 20 0 EBADHM Cn1cc(N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2=O)cn1 ZINC000826362123 583894520 /nfs/dbraw/zinc/89/45/20/583894520.db2.gz DXYYFGGPGLDXAT-UHFFFAOYSA-N -1 3 341.335 -0.583 20 0 EBADHM Cn1cc([C@@H](O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826359435 583894547 /nfs/dbraw/zinc/89/45/47/583894547.db2.gz GXNKZPOXGJJMGQ-LBPRGKRZSA-N -1 3 349.376 -0.388 20 0 EBADHM Cn1cc([C@@H](O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826359435 583894548 /nfs/dbraw/zinc/89/45/48/583894548.db2.gz GXNKZPOXGJJMGQ-LBPRGKRZSA-N -1 3 349.376 -0.388 20 0 EBADHM Cn1ccnc1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000826364365 583894960 /nfs/dbraw/zinc/89/49/60/583894960.db2.gz TXOFZKRMQCSEPI-UHFFFAOYSA-N -1 3 341.379 -0.114 20 0 EBADHM Cn1ccnc1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000826364365 583894963 /nfs/dbraw/zinc/89/49/63/583894963.db2.gz TXOFZKRMQCSEPI-UHFFFAOYSA-N -1 3 341.379 -0.114 20 0 EBADHM NC(=O)[C@H]1CCCC[C@H]1NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826389908 583896450 /nfs/dbraw/zinc/89/64/50/583896450.db2.gz LEVGXSVYWKGEHL-WDEREUQCSA-N -1 3 344.379 -0.166 20 0 EBADHM NC(=O)[C@H]1CCCC[C@H]1NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826389908 583896452 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/nfs/dbraw/zinc/77/86/66/724778666.db2.gz QJKSSHCHPWKZNV-CMPLNLGQSA-N -1 3 331.380 -0.049 20 0 EBADHM CC1(C)CN(C(=O)CCn2ccnn2)CC[C@H]1NC(=O)c1cn[n-]n1 ZINC000967072097 724794729 /nfs/dbraw/zinc/79/47/29/724794729.db2.gz ZKLOMAFLEWJBQF-GFCCVEGCSA-N -1 3 346.395 -0.157 20 0 EBADHM CC1(C)CN(C(=O)Cn2nccn2)CC[C@H]1NC(=O)c1cn[n-]n1 ZINC000967070927 724794946 /nfs/dbraw/zinc/79/49/46/724794946.db2.gz SOOZCGFEBUSQHS-LLVKDONJSA-N -1 3 332.368 -0.547 20 0 EBADHM CC1(C)CN(C(=O)[C@H]2CCC(=O)NC2)CC[C@H]1NC(=O)c1cn[n-]n1 ZINC000967071008 724794965 /nfs/dbraw/zinc/79/49/65/724794965.db2.gz UMVCYNPADIPYFO-CMPLNLGQSA-N -1 3 348.407 -0.312 20 0 EBADHM CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC[C@H]1NC(=O)c1cn[n-]n1 ZINC000967080006 724795944 /nfs/dbraw/zinc/79/59/44/724795944.db2.gz LSCCZJZQIRMNAM-WCABBAIRSA-N -1 3 334.380 -0.717 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CCN(C(=O)CC(N)=O)CC1(C)C ZINC000967106756 724800396 /nfs/dbraw/zinc/80/03/96/724800396.db2.gz BWYGUDCQPOCCDT-SNVBAGLBSA-N -1 3 349.391 -0.277 20 0 EBADHM Cn1ncc(C(=O)N[C@@]2(C)CCN(C(=O)c3cnc[n-]c3=O)C2)c1N ZINC000956847323 722118650 /nfs/dbraw/zinc/11/86/50/722118650.db2.gz CUSXFOWEIKUKLF-HNNXBMFYSA-N -1 3 345.363 -0.468 20 0 EBADHM C[C@]1(NC(=O)[C@]23C[C@H]2COC3)CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC000957042550 722146880 /nfs/dbraw/zinc/14/68/80/722146880.db2.gz UQQASPWJCXGTPE-HNHYXYPQSA-N -1 3 332.360 -0.061 20 0 EBADHM Cn1ncc(C(=O)N2CC[C@](C)(NC(=O)c3cnc[n-]c3=O)C2)c1N ZINC000957145538 722163382 /nfs/dbraw/zinc/16/33/82/722163382.db2.gz AEIROLRDONLCLU-HNNXBMFYSA-N -1 3 345.363 -0.468 20 0 EBADHM Cn1cnc(C(=O)N2CC[C@@](C)(NC(=O)c3cnc[n-]c3=O)C2)c1 ZINC000957145905 722163694 /nfs/dbraw/zinc/16/36/94/722163694.db2.gz HYHWFBMLLSVDJP-OAHLLOKOSA-N -1 3 330.348 -0.050 20 0 EBADHM C[C@]1(NC(=O)c2cnc[n-]c2=O)CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000957146180 722163728 /nfs/dbraw/zinc/16/37/28/722163728.db2.gz NSHUMNKNVJGKQT-HNNXBMFYSA-N -1 3 330.348 -0.131 20 0 EBADHM Cn1ncc(C(=O)N2CC[C@@](C)(NC(=O)c3cnc[n-]c3=O)C2)n1 ZINC000957145789 722163744 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347.419 -0.284 20 0 EBADHM CNC(=O)[C@@H](C)N1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)CC1 ZINC000957639658 722230385 /nfs/dbraw/zinc/23/03/85/722230385.db2.gz PXBDDFIJPHWGDR-LLVKDONJSA-N -1 3 335.408 -0.380 20 0 EBADHM CCn1cc(CC(=O)N2C[C@@H](C)[C@H](NC(=O)c3cn[n-]n3)C2)nn1 ZINC000957697880 722234276 /nfs/dbraw/zinc/23/42/76/722234276.db2.gz GXNVGLWHZIPFQJ-BXKDBHETSA-N -1 3 332.368 -0.765 20 0 EBADHM CC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cn[n-]n3)C2)C1 ZINC000957720394 722236348 /nfs/dbraw/zinc/23/63/48/722236348.db2.gz VIWDSOWPNQEVGI-IRUJWGPZSA-N -1 3 334.380 -0.750 20 0 EBADHM Cn1cnnc1CN1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](O)C1 ZINC000957886904 722258220 /nfs/dbraw/zinc/25/82/20/722258220.db2.gz PPEIEOVEURYBKN-BXUZGUMPSA-N -1 3 331.376 -0.257 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000957942562 722274725 /nfs/dbraw/zinc/27/47/25/722274725.db2.gz JMQRQZNAMPGPIY-QNSHHTMESA-N -1 3 349.347 -0.824 20 0 EBADHM Cn1cc(CN2C[C@@H](O)[C@@H](CNC(=O)c3ncccc3[O-])C2)cn1 ZINC000957989661 722283605 /nfs/dbraw/zinc/28/36/05/722283605.db2.gz GSFNZTXBDCYOAG-GXTWGEPZSA-N -1 3 331.376 -0.257 20 0 EBADHM O=C(NC[C@@H]1CN(CCn2cncn2)C[C@@H]1O)c1ncccc1[O-] ZINC000957996499 722285592 /nfs/dbraw/zinc/28/55/92/722285592.db2.gz SVNFJGCZRCPYRR-YPMHNXCESA-N -1 3 332.364 -0.899 20 0 EBADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nc[nH]n1)C2)c1cnc[n-]c1=O ZINC000958058430 722298226 /nfs/dbraw/zinc/29/82/26/722298226.db2.gz OBKBNAAZAVGIGZ-GUBZILKMSA-N -1 3 343.347 -0.277 20 0 EBADHM O=C(c1cnc[n-]c1=O)N1CCN(C2CN(C(=O)C(F)F)C2)CC1 ZINC000967222742 724841460 /nfs/dbraw/zinc/84/14/60/724841460.db2.gz WKHNMPSMKYURQZ-UHFFFAOYSA-N -1 3 341.318 -0.584 20 0 EBADHM O=C(Cn1nccn1)N1C[C@@H]2C[C@H]1C[C@H](NC(=O)c1cn[n-]n1)C2 ZINC000958075137 722301108 /nfs/dbraw/zinc/30/11/08/722301108.db2.gz GTNUGFDOZJCJIC-AXFHLTTASA-N -1 3 330.352 -0.794 20 0 EBADHM O=C(NC[C@H]1CN(Cc2nccs2)C[C@@H]1O)c1cnc[n-]c1=O ZINC000958166967 722316615 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Cc1nnc(N(C)C[C@@H](O)CN2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000822509566 583811571 /nfs/dbraw/zinc/81/15/71/583811571.db2.gz BCCLNHBFYUETRE-GFCCVEGCSA-N -1 3 348.411 -0.597 20 0 EBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000822660458 583815913 /nfs/dbraw/zinc/81/59/13/583815913.db2.gz ZAZWNUVWMHCPTH-UHFFFAOYSA-N -1 3 333.308 -0.650 20 0 EBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000822660458 583815914 /nfs/dbraw/zinc/81/59/14/583815914.db2.gz ZAZWNUVWMHCPTH-UHFFFAOYSA-N -1 3 333.308 -0.650 20 0 EBADHM Cn1cc([C@H](O)CNC(=O)COc2ccccc2-c2nnn[n-]2)cn1 ZINC000822670012 583816326 /nfs/dbraw/zinc/81/63/26/583816326.db2.gz YCAAEHFKGOEPPS-GFCCVEGCSA-N -1 3 343.347 -0.171 20 0 EBADHM Cn1cc([C@H](O)CNC(=O)COc2ccccc2-c2nn[n-]n2)cn1 ZINC000822670012 583816329 /nfs/dbraw/zinc/81/63/29/583816329.db2.gz YCAAEHFKGOEPPS-GFCCVEGCSA-N -1 3 343.347 -0.171 20 0 EBADHM Cn1ncc2c1nc(COC(=O)c1cc(-c3nnn[n-]3)c[nH]1)[nH]c2=O ZINC000822709076 583816516 /nfs/dbraw/zinc/81/65/16/583816516.db2.gz 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ZINC000822968816 583821855 /nfs/dbraw/zinc/82/18/55/583821855.db2.gz ARLKQYWMOAIREO-VIFPVBQESA-N -1 3 338.393 -0.050 20 0 EBADHM O=C(CCN1CCO[C@H](CO)C1)Nc1sccc1-c1nn[n-]n1 ZINC000822968816 583821858 /nfs/dbraw/zinc/82/18/58/583821858.db2.gz ARLKQYWMOAIREO-VIFPVBQESA-N -1 3 338.393 -0.050 20 0 EBADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCN2C(=O)NC[C@H]2C1 ZINC000823050156 583823497 /nfs/dbraw/zinc/82/34/97/583823497.db2.gz RBSBYAVVFJNVTA-JTQLQIEISA-N -1 3 343.347 -0.519 20 0 EBADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCN2C(=O)NC[C@H]2C1 ZINC000823050156 583823499 /nfs/dbraw/zinc/82/34/99/583823499.db2.gz RBSBYAVVFJNVTA-JTQLQIEISA-N -1 3 343.347 -0.519 20 0 EBADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCCN1C(=O)CNC1=O ZINC000823097961 583824036 /nfs/dbraw/zinc/82/40/36/583824036.db2.gz FGELQIHHEYMJNW-UHFFFAOYSA-N -1 3 343.347 -0.533 20 0 EBADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCCN1C(=O)CNC1=O ZINC000823097961 583824038 /nfs/dbraw/zinc/82/40/38/583824038.db2.gz FGELQIHHEYMJNW-UHFFFAOYSA-N -1 3 343.347 -0.533 20 0 EBADHM O=C(NCCN1CCOCC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823196266 583826201 /nfs/dbraw/zinc/82/62/01/583826201.db2.gz BJXGKEPSLNQXIV-UHFFFAOYSA-N -1 3 337.771 -0.023 20 0 EBADHM O=C(NCCN1CCOCC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823196266 583826203 /nfs/dbraw/zinc/82/62/03/583826203.db2.gz BJXGKEPSLNQXIV-UHFFFAOYSA-N -1 3 337.771 -0.023 20 0 EBADHM O=C(NCCOCCO)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823212176 583826691 /nfs/dbraw/zinc/82/66/91/583826691.db2.gz VVWWSZOVWMALRO-CQSZACIVSA-N -1 3 346.391 -0.039 20 0 EBADHM O=C(NCCOCCO)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823212176 583826692 /nfs/dbraw/zinc/82/66/92/583826692.db2.gz VVWWSZOVWMALRO-CQSZACIVSA-N -1 3 346.391 -0.039 20 0 EBADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCC1(CO)CC1 ZINC000823206258 583826733 /nfs/dbraw/zinc/82/67/33/583826733.db2.gz QHUQDUWWEWSOFK-UHFFFAOYSA-N -1 3 332.368 -0.255 20 0 EBADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCC1(CO)CC1 ZINC000823206258 583826735 /nfs/dbraw/zinc/82/67/35/583826735.db2.gz QHUQDUWWEWSOFK-UHFFFAOYSA-N -1 3 332.368 -0.255 20 0 EBADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCO[C@@H](CO)C1 ZINC000823249662 583827332 /nfs/dbraw/zinc/82/73/32/583827332.db2.gz FPWVDCSSQHUGQE-LLVKDONJSA-N -1 3 336.327 -0.092 20 0 EBADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCO[C@@H](CO)C1 ZINC000823249662 583827335 /nfs/dbraw/zinc/82/73/35/583827335.db2.gz FPWVDCSSQHUGQE-LLVKDONJSA-N -1 3 336.327 -0.092 20 0 EBADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H](CO)C1CC1 ZINC000823323307 583828179 /nfs/dbraw/zinc/82/81/79/583828179.db2.gz KGKDFULZZIKGEY-NSHDSACASA-N -1 3 334.311 -0.169 20 0 EBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H](CO)C1CC1 ZINC000823323307 583828181 /nfs/dbraw/zinc/82/81/81/583828181.db2.gz KGKDFULZZIKGEY-NSHDSACASA-N -1 3 334.311 -0.169 20 0 EBADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@H]1CCCNC1=O ZINC000823337637 583828512 /nfs/dbraw/zinc/82/85/12/583828512.db2.gz PGVROBQFLXLXIV-JTQLQIEISA-N -1 3 347.310 -0.661 20 0 EBADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@H]1CCCNC1=O ZINC000823337637 583828514 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EBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000826277308 583890468 /nfs/dbraw/zinc/89/04/68/583890468.db2.gz QHSKASWNVYPMFU-SKDRFNHKSA-N -1 3 330.348 -0.047 20 0 EBADHM Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](O)C2)c1-c1nnn[n-]1 ZINC000826298639 583890801 /nfs/dbraw/zinc/89/08/01/583890801.db2.gz BIKODTPIUFEWKX-MWLCHTKSSA-N -1 3 330.348 -0.047 20 0 EBADHM Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](O)C2)c1-c1nn[n-]n1 ZINC000826298639 583890802 /nfs/dbraw/zinc/89/08/02/583890802.db2.gz BIKODTPIUFEWKX-MWLCHTKSSA-N -1 3 330.348 -0.047 20 0 EBADHM Cc1nnc(CN2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)[nH]1 ZINC000826325983 583891764 /nfs/dbraw/zinc/89/17/64/583891764.db2.gz UDQFJBAEETUSKH-UHFFFAOYSA-N -1 3 342.367 -0.421 20 0 EBADHM Cc1nnc(CN2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)[nH]1 ZINC000826325983 583891766 /nfs/dbraw/zinc/89/17/66/583891766.db2.gz UDQFJBAEETUSKH-UHFFFAOYSA-N -1 3 342.367 -0.421 20 0 EBADHM Cc1onc(CC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826345412 583892521 /nfs/dbraw/zinc/89/25/21/583892521.db2.gz KPGINHASYIXDBR-NXEZZACHSA-N -1 3 349.395 -0.069 20 0 EBADHM Cc1onc(CC(=O)N[C@H](C)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826345440 583892577 /nfs/dbraw/zinc/89/25/77/583892577.db2.gz LATSNORWDGVTTJ-SECBINFHSA-N -1 3 335.368 -0.457 20 0 EBADHM Cn1cc([C@H](O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826359434 583894444 /nfs/dbraw/zinc/89/44/44/583894444.db2.gz GXNKZPOXGJJMGQ-GFCCVEGCSA-N -1 3 349.376 -0.388 20 0 EBADHM Cn1cc([C@H](O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826359434 583894446 /nfs/dbraw/zinc/89/44/46/583894446.db2.gz GXNKZPOXGJJMGQ-GFCCVEGCSA-N -1 3 349.376 -0.388 20 0 EBADHM Cn1cc(CN2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cn1 ZINC000826361069 583894492 /nfs/dbraw/zinc/89/44/92/583894492.db2.gz KBIXZNITDVEGPJ-UHFFFAOYSA-N -1 3 341.379 -0.114 20 0 EBADHM Cn1cc(CN2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC000826361069 583894493 /nfs/dbraw/zinc/89/44/93/583894493.db2.gz KBIXZNITDVEGPJ-UHFFFAOYSA-N -1 3 341.379 -0.114 20 0 EBADHM Cn1cc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1C(N)=O ZINC000826362540 583894713 /nfs/dbraw/zinc/89/47/13/583894713.db2.gz XGVAUUSOUGFVRJ-GFCCVEGCSA-N -1 3 341.331 -0.024 20 0 EBADHM Cn1cc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1C(N)=O ZINC000826362540 583894715 /nfs/dbraw/zinc/89/47/15/583894715.db2.gz XGVAUUSOUGFVRJ-GFCCVEGCSA-N -1 3 341.331 -0.024 20 0 EBADHM Cn1cc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000826362426 583894835 /nfs/dbraw/zinc/89/48/35/583894835.db2.gz RRFKHWZNSWCYQK-SNVBAGLBSA-N -1 3 341.335 -0.536 20 0 EBADHM Cn1cc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000826362426 583894836 /nfs/dbraw/zinc/89/48/36/583894836.db2.gz RRFKHWZNSWCYQK-SNVBAGLBSA-N -1 3 341.335 -0.536 20 0 EBADHM Cn1cc(N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cn1 ZINC000826362516 583895039 /nfs/dbraw/zinc/89/50/39/583895039.db2.gz VYAWLGDLTYCMET-UHFFFAOYSA-N -1 3 327.352 -0.109 20 0 EBADHM Cn1cc(N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC000826362516 583895042 /nfs/dbraw/zinc/89/50/42/583895042.db2.gz VYAWLGDLTYCMET-UHFFFAOYSA-N -1 3 327.352 -0.109 20 0 EBADHM Cn1cnn(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1=O ZINC000826365702 583895187 /nfs/dbraw/zinc/89/51/87/583895187.db2.gz ZHGMZPBDBWSQQO-UHFFFAOYSA-N -1 3 346.376 -0.049 20 0 EBADHM Cn1cnn(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1=O ZINC000826365702 583895188 /nfs/dbraw/zinc/89/51/88/583895188.db2.gz ZHGMZPBDBWSQQO-UHFFFAOYSA-N -1 3 346.376 -0.049 20 0 EBADHM Cn1cnn(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1=O ZINC000826365690 583895381 /nfs/dbraw/zinc/89/53/81/583895381.db2.gz YTWJTJBQOWGFIY-CYBMUJFWSA-N -1 3 342.363 -0.207 20 0 EBADHM Cn1cnn(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1=O ZINC000826365690 583895384 /nfs/dbraw/zinc/89/53/84/583895384.db2.gz YTWJTJBQOWGFIY-CYBMUJFWSA-N -1 3 342.363 -0.207 20 0 EBADHM Cn1[nH]cnc1=NC(=O)NCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000826366926 583895426 /nfs/dbraw/zinc/89/54/26/583895426.db2.gz DNNOXHVKQDAURA-UHFFFAOYSA-N -1 3 329.324 -0.382 20 0 EBADHM Cn1[nH]cnc1=NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826366926 583895430 /nfs/dbraw/zinc/89/54/30/583895430.db2.gz DNNOXHVKQDAURA-UHFFFAOYSA-N -1 3 329.324 -0.382 20 0 EBADHM Cn1nnnc1CCNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826367252 583895643 /nfs/dbraw/zinc/89/56/43/583895643.db2.gz RFDMOBUMXBZWOB-UHFFFAOYSA-N -1 3 327.352 -0.318 20 0 EBADHM Cn1nnnc1CCNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826367252 583895645 /nfs/dbraw/zinc/89/56/45/583895645.db2.gz RFDMOBUMXBZWOB-UHFFFAOYSA-N -1 3 327.352 -0.318 20 0 EBADHM Cn1nnnc1CCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826367362 583895798 /nfs/dbraw/zinc/89/57/98/583895798.db2.gz WMGPPHLQQITRIR-UHFFFAOYSA-N -1 3 332.303 -0.107 20 0 EBADHM Cn1nnnc1CCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826367362 583895799 /nfs/dbraw/zinc/89/57/99/583895799.db2.gz WMGPPHLQQITRIR-UHFFFAOYSA-N -1 3 332.303 -0.107 20 0 EBADHM NC(=O)[C@@H]1COCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826389679 583896078 /nfs/dbraw/zinc/89/60/78/583896078.db2.gz FCRFHFUGNDYSGT-FYJFLYSWSA-N -1 3 328.332 -0.407 20 0 EBADHM NC(=O)[C@@H]1COCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826389679 583896079 /nfs/dbraw/zinc/89/60/79/583896079.db2.gz FCRFHFUGNDYSGT-FYJFLYSWSA-N -1 3 328.332 -0.407 20 0 EBADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC(OCCO)CC1 ZINC000826389236 583896286 /nfs/dbraw/zinc/89/62/86/583896286.db2.gz SLFLWEFDPNISTF-CQSZACIVSA-N -1 3 346.391 -0.134 20 0 EBADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(OCCO)CC1 ZINC000826389236 583896287 /nfs/dbraw/zinc/89/62/87/583896287.db2.gz SLFLWEFDPNISTF-CQSZACIVSA-N -1 3 346.391 -0.134 20 0 EBADHM NC(=O)[C@@H]1CCCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390012 583896390 /nfs/dbraw/zinc/89/63/90/583896390.db2.gz OAEDCXNNMOGECL-NWDGAFQWSA-N -1 3 330.348 -0.234 20 0 EBADHM NC(=O)[C@@H]1CCCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390012 583896392 /nfs/dbraw/zinc/89/63/92/583896392.db2.gz OAEDCXNNMOGECL-NWDGAFQWSA-N -1 3 330.348 -0.234 20 0 EBADHM NC(=O)C1(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000826389954 583896504 /nfs/dbraw/zinc/89/65/04/583896504.db2.gz MNTNYMQKXSESIE-NSHDSACASA-N -1 3 330.348 -0.186 20 0 EBADHM NC(=O)C1(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000826389954 583896505 /nfs/dbraw/zinc/89/65/05/583896505.db2.gz MNTNYMQKXSESIE-NSHDSACASA-N -1 3 330.348 -0.186 20 0 EBADHM NC(=O)[C@@H]1CSCCN1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390505 583896553 /nfs/dbraw/zinc/89/65/53/583896553.db2.gz BUOHQXDUYXAKAZ-RYUDHWBXSA-N -1 3 334.405 -0.197 20 0 EBADHM NC(=O)[C@@H]1CSCCN1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390505 583896555 /nfs/dbraw/zinc/89/65/55/583896555.db2.gz BUOHQXDUYXAKAZ-RYUDHWBXSA-N -1 3 334.405 -0.197 20 0 EBADHM NC(=O)C[C@@H]1CCCCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826390559 583896664 /nfs/dbraw/zinc/89/66/64/583896664.db2.gz DSMLBYBWTQHYSI-NSHDSACASA-N -1 3 344.379 -0.070 20 0 EBADHM NC(=O)C[C@@H]1CCCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826390559 583896665 /nfs/dbraw/zinc/89/66/65/583896665.db2.gz DSMLBYBWTQHYSI-NSHDSACASA-N -1 3 344.379 -0.070 20 0 EBADHM NC(=O)N[C@H]1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826392074 583897347 /nfs/dbraw/zinc/89/73/47/583897347.db2.gz MUBQOYLFQVWBIA-JTQLQIEISA-N -1 3 348.342 -0.042 20 0 EBADHM NC(=O)N[C@H]1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826392074 583897348 /nfs/dbraw/zinc/89/73/48/583897348.db2.gz MUBQOYLFQVWBIA-JTQLQIEISA-N -1 3 348.342 -0.042 20 0 EBADHM NC(=O)NC(=O)CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826391841 583897387 /nfs/dbraw/zinc/89/73/87/583897387.db2.gz DJBWTGBGCOEDTB-NSHDSACASA-N -1 3 331.336 -0.565 20 0 EBADHM NC(=O)NC(=O)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826391841 583897388 /nfs/dbraw/zinc/89/73/88/583897388.db2.gz DJBWTGBGCOEDTB-NSHDSACASA-N -1 3 331.336 -0.565 20 0 EBADHM NS(=O)(=O)[C@@H]1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826394203 583898331 /nfs/dbraw/zinc/89/83/31/583898331.db2.gz AXTCTURSAJLFKW-SNVBAGLBSA-N -1 3 326.357 -0.131 20 0 EBADHM NS(=O)(=O)[C@@H]1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826394203 583898333 /nfs/dbraw/zinc/89/83/33/583898333.db2.gz AXTCTURSAJLFKW-SNVBAGLBSA-N -1 3 326.357 -0.131 20 0 EBADHM NS(=O)(=O)[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826394209 583898419 /nfs/dbraw/zinc/89/84/19/583898419.db2.gz BATIKCIRCPBGLE-VIFPVBQESA-N -1 3 326.357 -0.131 20 0 EBADHM NS(=O)(=O)[C@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826394209 583898420 /nfs/dbraw/zinc/89/84/20/583898420.db2.gz BATIKCIRCPBGLE-VIFPVBQESA-N -1 3 326.357 -0.131 20 0 EBADHM Nc1n[nH]c(CCCNc2cncc3ncnn32)c1-c1nnn[n-]1 ZINC000826395175 583898560 /nfs/dbraw/zinc/89/85/60/583898560.db2.gz PWEJHBRELAKGAV-UHFFFAOYSA-N -1 3 326.328 -0.346 20 0 EBADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CC(n2cncn2)C1 ZINC000826396882 583898635 /nfs/dbraw/zinc/89/86/35/583898635.db2.gz NLQQHNSHZWOFMO-GFCCVEGCSA-N -1 3 326.320 -0.425 20 0 EBADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CC(n2cncn2)C1 ZINC000826396882 583898636 /nfs/dbraw/zinc/89/86/36/583898636.db2.gz NLQQHNSHZWOFMO-GFCCVEGCSA-N -1 3 326.320 -0.425 20 0 EBADHM 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BUZIIOLCTKLMKI-IUCAKERBSA-N -1 3 347.383 -0.423 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnccn1 ZINC001574977590 950121760 /nfs/dbraw/zinc/12/17/60/950121760.db2.gz MAIJVLKARGOPIY-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnccn1 ZINC001574977590 950121775 /nfs/dbraw/zinc/12/17/75/950121775.db2.gz MAIJVLKARGOPIY-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM CC1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001575583150 950142743 /nfs/dbraw/zinc/14/27/43/950142743.db2.gz PBSAXZCBZHOHAA-UHFFFAOYSA-N -1 3 345.363 -0.702 20 0 EBADHM CC1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001575583150 950142749 /nfs/dbraw/zinc/14/27/49/950142749.db2.gz PBSAXZCBZHOHAA-UHFFFAOYSA-N -1 3 345.363 -0.702 20 0 EBADHM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1ncccc1-c1nnn[n-]1 ZINC001574734885 950148753 /nfs/dbraw/zinc/14/87/53/950148753.db2.gz UKSYGVZBOIPDOF-GXSJLCMTSA-N -1 3 344.379 -0.201 20 0 EBADHM 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Cn1cc([C@H](CO)NS(=O)(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC000826359168 583894452 /nfs/dbraw/zinc/89/44/52/583894452.db2.gz YMCOFOPJIGAXED-NSHDSACASA-N -1 3 349.376 -0.388 20 0 EBADHM Cn1cc(N2CCN(c3cnccc3-c3nnn[n-]3)CC2=O)cn1 ZINC000826362475 583894759 /nfs/dbraw/zinc/89/47/59/583894759.db2.gz UMQCFWKXMDEEDJ-UHFFFAOYSA-N -1 3 325.336 -0.152 20 0 EBADHM Cn1cc(N2CCN(c3cnccc3-c3nn[n-]n3)CC2=O)cn1 ZINC000826362475 583894761 /nfs/dbraw/zinc/89/47/61/583894761.db2.gz UMQCFWKXMDEEDJ-UHFFFAOYSA-N -1 3 325.336 -0.152 20 0 EBADHM Cn1ccnc1CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000826364337 583895006 /nfs/dbraw/zinc/89/50/06/583895006.db2.gz SDQSESSPGJUUMW-UHFFFAOYSA-N -1 3 334.365 -0.140 20 0 EBADHM Cn1ccnc1CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000826364337 583895008 /nfs/dbraw/zinc/89/50/08/583895008.db2.gz SDQSESSPGJUUMW-UHFFFAOYSA-N -1 3 334.365 -0.140 20 0 EBADHM Cn1cnn(CC(=O)OCCOc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000826365150 583895190 /nfs/dbraw/zinc/89/51/90/583895190.db2.gz CVZHQBRUDBQXLQ-UHFFFAOYSA-N -1 3 345.319 -0.616 20 0 EBADHM Cn1cnn(CC(=O)OCCOc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000826365150 583895191 /nfs/dbraw/zinc/89/51/91/583895191.db2.gz CVZHQBRUDBQXLQ-UHFFFAOYSA-N -1 3 345.319 -0.616 20 0 EBADHM Cn1nncc1CN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826367332 583895847 /nfs/dbraw/zinc/89/58/47/583895847.db2.gz VBNPQCQJKVLNGR-UHFFFAOYSA-N -1 3 326.368 -0.288 20 0 EBADHM Cn1nncc1CN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826367332 583895849 /nfs/dbraw/zinc/89/58/49/583895849.db2.gz VBNPQCQJKVLNGR-UHFFFAOYSA-N -1 3 326.368 -0.288 20 0 EBADHM NC(=O)CNC(=S)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826391337 583897012 /nfs/dbraw/zinc/89/70/12/583897012.db2.gz GUDNATIDQOEXHD-NSHDSACASA-N -1 3 347.404 -0.400 20 0 EBADHM NC(=O)CNC(=S)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826391337 583897015 /nfs/dbraw/zinc/89/70/15/583897015.db2.gz GUDNATIDQOEXHD-NSHDSACASA-N -1 3 347.404 -0.400 20 0 EBADHM NC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826391911 583897413 /nfs/dbraw/zinc/89/74/13/583897413.db2.gz GMYBZYRIHFASLF-JTQLQIEISA-N -1 3 344.335 -0.926 20 0 EBADHM NC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826391911 583897414 /nfs/dbraw/zinc/89/74/14/583897414.db2.gz GMYBZYRIHFASLF-JTQLQIEISA-N -1 3 344.335 -0.926 20 0 EBADHM NC(=O)NC1(C(=O)NCCOc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826392120 583897488 /nfs/dbraw/zinc/89/74/88/583897488.db2.gz NVLYGMIYGWJMEP-UHFFFAOYSA-N -1 3 331.336 -0.437 20 0 EBADHM NC(=O)NC1(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826392120 583897490 /nfs/dbraw/zinc/89/74/90/583897490.db2.gz NVLYGMIYGWJMEP-UHFFFAOYSA-N -1 3 331.336 -0.437 20 0 EBADHM NC(=O)N[C@@H]1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826392346 583898014 /nfs/dbraw/zinc/89/80/14/583898014.db2.gz VCUQWROCICVPOX-GFCCVEGCSA-N -1 3 344.379 -0.775 20 0 EBADHM NC(=O)N[C@@H]1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826392346 583898017 /nfs/dbraw/zinc/89/80/17/583898017.db2.gz VCUQWROCICVPOX-GFCCVEGCSA-N -1 3 344.379 -0.775 20 0 EBADHM NS(=O)(=O)CCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826394391 583898198 /nfs/dbraw/zinc/89/81/98/583898198.db2.gz IGPCOBYGFLZCAC-GFCCVEGCSA-N -1 3 338.393 -0.472 20 0 EBADHM NS(=O)(=O)CCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826394391 583898200 /nfs/dbraw/zinc/89/82/00/583898200.db2.gz IGPCOBYGFLZCAC-GFCCVEGCSA-N -1 3 338.393 -0.472 20 0 EBADHM NS(=O)(=O)NC[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826394435 583898229 /nfs/dbraw/zinc/89/82/29/583898229.db2.gz JZFJJTNJLNUWIK-SECBINFHSA-N -1 3 341.397 -0.535 20 0 EBADHM NS(=O)(=O)NC[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826394435 583898232 /nfs/dbraw/zinc/89/82/32/583898232.db2.gz JZFJJTNJLNUWIK-SECBINFHSA-N -1 3 341.397 -0.535 20 0 EBADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000826395145 583898599 /nfs/dbraw/zinc/89/85/99/583898599.db2.gz OMZUVHFDTHHQFY-UHFFFAOYSA-N -1 3 338.287 -0.418 20 0 EBADHM Nc1c(-c2nn[n-]n2)cnn1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000826395145 583898600 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EBADHM O=C(CNC(=O)COc1ccc(-c2nn[n-]n2)cc1)NCC1CC1 ZINC000826411621 583899339 /nfs/dbraw/zinc/89/93/39/583899339.db2.gz GNPMICQJJSEWND-UHFFFAOYSA-N -1 3 330.348 -0.112 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCC1(CO)COC1 ZINC000826411758 583899354 /nfs/dbraw/zinc/89/93/54/583899354.db2.gz LYUIFDBTCRHGGE-UHFFFAOYSA-N -1 3 347.331 -0.851 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCC1(CO)COC1 ZINC000826411758 583899355 /nfs/dbraw/zinc/89/93/55/583899355.db2.gz LYUIFDBTCRHGGE-UHFFFAOYSA-N -1 3 347.331 -0.851 20 0 EBADHM O=C(COC(=O)[C@H]1CCC(=O)O1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826414985 583900008 /nfs/dbraw/zinc/90/00/08/583900008.db2.gz NSCDTRULHGMHMB-LLVKDONJSA-N -1 3 345.315 -0.268 20 0 EBADHM O=C(COC(=O)[C@H]1CCC(=O)O1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826414985 583900011 /nfs/dbraw/zinc/90/00/11/583900011.db2.gz NSCDTRULHGMHMB-LLVKDONJSA-N -1 3 345.315 -0.268 20 0 EBADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC[C@H]1CN2CCN1CC2 ZINC000826422503 583900485 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CS(=O)(=O)CCS(=O)(=O)[N-]C1(c2ncccn2)CCOCC1 ZINC001364975402 1132508938 /nfs/dbraw/zinc/50/89/38/1132508938.db2.gz NOTPTYOYPHLUDL-UHFFFAOYSA-N -1 3 349.434 -0.554 20 0 EBADHM Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)N2CCCC2)nn1 ZINC001364983301 1132511665 /nfs/dbraw/zinc/51/16/65/1132511665.db2.gz POYSLLBDJCAMTN-UHFFFAOYSA-N -1 3 334.423 -0.511 20 0 EBADHM O=C(NC1CC1)c1n[n-]nc1NC(=O)N1CCCS(=O)(=O)CC1 ZINC001365303282 1132611731 /nfs/dbraw/zinc/61/17/31/1132611731.db2.gz ZNGXAPSPDMOVHW-UHFFFAOYSA-N -1 3 342.381 -0.651 20 0 EBADHM CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC ZINC001365372195 1132637882 /nfs/dbraw/zinc/63/78/82/1132637882.db2.gz IXDCLVOJDKLMOY-BDAKNGLRSA-N -1 3 344.393 -0.302 20 0 EBADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](C)CS(C)(=O)=O ZINC001365377431 1132640830 /nfs/dbraw/zinc/64/08/30/1132640830.db2.gz XZOTXLSVUZPXTP-MRVPVSSYSA-N -1 3 332.407 -0.251 20 0 EBADHM Cn1cnnc1S(=O)(=O)[N-]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC001365384829 1132645832 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Cn1[n-]c(CN[C@H]2C[C@H](NC(=O)COCc3ccncc3)C2)nc1=O ZINC001366126958 1133018113 /nfs/dbraw/zinc/01/81/13/1133018113.db2.gz QLPINPNVVBXCPW-JOCQHMNTSA-N -1 3 346.391 -0.543 20 0 EBADHM C[C@@H](NC(=O)Cc1cc[nH]n1)[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001366226572 1133064177 /nfs/dbraw/zinc/06/41/77/1133064177.db2.gz DZFBHIAZUXNMHQ-VXGBXAGGSA-N -1 3 347.423 -0.209 20 0 EBADHM C[C@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)N[C@@H]1CCCNC1=O ZINC001366338351 1133103808 /nfs/dbraw/zinc/10/38/08/1133103808.db2.gz BFDMNOIWTRGUCM-RKDXNWHRSA-N -1 3 333.348 -0.085 20 0 EBADHM CCn1nc(C(=O)NCC[C@@H](C)NCc2n[nH]c(=O)[n-]2)ccc1=O ZINC001366480399 1133155288 /nfs/dbraw/zinc/15/52/88/1133155288.db2.gz AAYUPVGLQYNPNT-SECBINFHSA-N -1 3 335.368 -0.615 20 0 EBADHM Cn1[n-]c(CN2CC[C@H](CCNC(=O)CCCC(N)=O)C2)nc1=O ZINC001366856273 1133323970 /nfs/dbraw/zinc/32/39/70/1133323970.db2.gz ZFQMRDXFAWHMRM-NSHDSACASA-N -1 3 338.412 -0.908 20 0 EBADHM CN(C(=O)CCc1c[nH]cn1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001367043655 1133450544 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-0.496 20 0 EBADHM C[C@H](CNCc1nc(=O)n(C)[n-]1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001367383296 1133572180 /nfs/dbraw/zinc/57/21/80/1133572180.db2.gz LBFQENBVDDETLO-NEPJUHHUSA-N -1 3 348.407 -0.093 20 0 EBADHM C[C@@H](CNCc1nc(=O)n(C)[n-]1)N(C)C(=O)CCc1ncccn1 ZINC001367395163 1133576900 /nfs/dbraw/zinc/57/69/00/1133576900.db2.gz WELXKZTYVVAEHJ-NSHDSACASA-N -1 3 333.396 -0.532 20 0 EBADHM Cc1cnn(CCC(=O)N(C)[C@H](C)CNCc2nc(=O)n(C)[n-]2)c1 ZINC001367419314 1133585172 /nfs/dbraw/zinc/58/51/72/1133585172.db2.gz ZQJMQOAYTIRVAI-GFCCVEGCSA-N -1 3 335.412 -0.360 20 0 EBADHM CN(CCO[C@@H]1CC1(F)F)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001367523619 1133614297 /nfs/dbraw/zinc/61/42/97/1133614297.db2.gz POYIEPIREVAQEB-MRVPVSSYSA-N -1 3 347.322 -0.289 20 0 EBADHM Cc1cc(C)n(CCC(=O)N[C@H](C)CNCc2nc(=O)n(C)[n-]2)n1 ZINC001367692023 1133749001 /nfs/dbraw/zinc/74/90/01/1133749001.db2.gz RKFWISJVIFPZCA-LLVKDONJSA-N -1 3 335.412 -0.394 20 0 EBADHM Cc1nnsc1CNC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001367770632 1133778008 /nfs/dbraw/zinc/77/80/08/1133778008.db2.gz FYLBTPZFKKOQGP-LURJTMIESA-N -1 3 327.370 -0.856 20 0 EBADHM Cn1[n-]c(CNC[C@H](NC(=O)C2(F)CCOCC2)C2CC2)nc1=O ZINC001367892920 1133828680 /nfs/dbraw/zinc/82/86/80/1133828680.db2.gz BZDOHSDGRLKPBJ-NSHDSACASA-N -1 3 341.387 -0.389 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](CNCc1nncn1C)C1CC1 ZINC001367912490 1133837018 /nfs/dbraw/zinc/83/70/18/1133837018.db2.gz ZCFOSACRJTZYRM-LLVKDONJSA-N -1 3 331.380 -0.083 20 0 EBADHM Cn1[n-]c(CNC[C@H](NC(=O)c2ccn(C)c(=O)c2)C2CC2)nc1=O ZINC001367912867 1133837339 /nfs/dbraw/zinc/83/73/39/1133837339.db2.gz WVGRGOQERSOKHU-LBPRGKRZSA-N -1 3 346.391 -0.895 20 0 EBADHM COc1cc(C)cnc1C(=O)NCC1(NCc2nc(=O)n(C)[n-]2)CC1 ZINC001368002363 1133888876 /nfs/dbraw/zinc/88/88/76/1133888876.db2.gz GMVFSPXTAKPMJJ-UHFFFAOYSA-N -1 3 346.391 -0.127 20 0 EBADHM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(NCc2nc(=O)n(C)[n-]2)CC1 ZINC001368029727 1133904438 /nfs/dbraw/zinc/90/44/38/1133904438.db2.gz QTZLAFBIKMOAFD-LLVKDONJSA-N -1 3 347.423 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C[C@@H](CO)S(=O)(=O)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820286983 583770655 /nfs/dbraw/zinc/77/06/55/583770655.db2.gz HXGHVZNHSIKQMX-VIFPVBQESA-N -1 3 339.377 -0.722 20 0 EBADHM C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820329356 583771433 /nfs/dbraw/zinc/77/14/33/583771433.db2.gz VZSXKTMCJGZJKZ-VIFPVBQESA-N -1 3 343.347 -0.062 20 0 EBADHM C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820329356 583771436 /nfs/dbraw/zinc/77/14/36/583771436.db2.gz VZSXKTMCJGZJKZ-VIFPVBQESA-N -1 3 343.347 -0.062 20 0 EBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC1 ZINC000820438565 583773027 /nfs/dbraw/zinc/77/30/27/583773027.db2.gz RZFCJEZYFODRHJ-VIFPVBQESA-N -1 3 336.377 -0.234 20 0 EBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC1 ZINC000820438565 583773030 /nfs/dbraw/zinc/77/30/30/583773030.db2.gz RZFCJEZYFODRHJ-VIFPVBQESA-N -1 3 336.377 -0.234 20 0 EBADHM C[C@H](O)CCN(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820474320 583773617 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CN(C)C(=O)Cn1cc(C(=O)OC[C@@H]2CCCN2CC(=O)[O-])nn1 ZINC000820530488 583774816 /nfs/dbraw/zinc/77/48/16/583774816.db2.gz OKFHFLVKRKCOAH-JTQLQIEISA-N -1 3 339.352 -0.928 20 0 EBADHM CN(C)CCN(CC(=O)[O-])C(=O)CCC(=O)N1CCC(O)CC1 ZINC000820538881 583774867 /nfs/dbraw/zinc/77/48/67/583774867.db2.gz AFQGHGGOSKGDPQ-UHFFFAOYSA-N -1 3 329.397 -0.775 20 0 EBADHM CN(C)CCN(CC(=O)[O-])C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000820538985 583775228 /nfs/dbraw/zinc/77/52/28/583775228.db2.gz CBVVATSKDSQTDP-UHFFFAOYSA-N -1 3 347.393 -0.382 20 0 EBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@H](CO)C1 ZINC000820542879 583775335 /nfs/dbraw/zinc/77/53/35/583775335.db2.gz RVQWTJGIJHLCDF-MNOVXSKESA-N -1 3 333.348 -0.146 20 0 EBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@H](CO)C1 ZINC000820542879 583775336 /nfs/dbraw/zinc/77/53/36/583775336.db2.gz RVQWTJGIJHLCDF-MNOVXSKESA-N -1 3 333.348 -0.146 20 0 EBADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000820563513 583775512 /nfs/dbraw/zinc/77/55/12/583775512.db2.gz RKUTWJFTDLHVSW-GXFFZTMASA-N -1 3 341.375 -0.430 20 0 EBADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000820563513 583775515 /nfs/dbraw/zinc/77/55/15/583775515.db2.gz RKUTWJFTDLHVSW-GXFFZTMASA-N -1 3 341.375 -0.430 20 0 EBADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000820563515 583775649 /nfs/dbraw/zinc/77/56/49/583775649.db2.gz RKUTWJFTDLHVSW-ZWNOBZJWSA-N -1 3 341.375 -0.430 20 0 EBADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000820563515 583775651 /nfs/dbraw/zinc/77/56/51/583775651.db2.gz RKUTWJFTDLHVSW-ZWNOBZJWSA-N -1 3 341.375 -0.430 20 0 EBADHM CN1CCC(O)(CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820620626 583776195 /nfs/dbraw/zinc/77/61/95/583776195.db2.gz QAJCRSCRGIXVJM-UHFFFAOYSA-N -1 3 335.360 -0.104 20 0 EBADHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1N1CCOCC1 ZINC000820740903 583778633 /nfs/dbraw/zinc/77/86/33/583778633.db2.gz AHBYHHGKVMVXDG-ZWNOBZJWSA-N -1 3 331.380 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583781428 /nfs/dbraw/zinc/78/14/28/583781428.db2.gz UFGLILVSWJASKN-RISCZKNCSA-N -1 3 346.391 -0.436 20 0 EBADHM C[C@H]1CO[C@H](CO)CN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820804669 583781484 /nfs/dbraw/zinc/78/14/84/583781484.db2.gz XDJYBJIAALDZHB-IUCAKERBSA-N -1 3 338.393 -0.052 20 0 EBADHM C[C@H]1CO[C@H](CO)CN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820804669 583781486 /nfs/dbraw/zinc/78/14/86/583781486.db2.gz XDJYBJIAALDZHB-IUCAKERBSA-N -1 3 338.393 -0.052 20 0 EBADHM CC[C@H](CO)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820907123 583782673 /nfs/dbraw/zinc/78/26/73/583782673.db2.gz BRCNJRVNTPKFBP-GFCCVEGCSA-N -1 3 331.380 -0.210 20 0 EBADHM CC[C@H](CO)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820907123 583782675 /nfs/dbraw/zinc/78/26/75/583782675.db2.gz BRCNJRVNTPKFBP-GFCCVEGCSA-N -1 3 331.380 -0.210 20 0 EBADHM CC[C@H](O)CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820932359 583783116 /nfs/dbraw/zinc/78/31/16/583783116.db2.gz NENSYTDZBYRWHI-LBPRGKRZSA-N -1 3 332.364 -0.126 20 0 EBADHM CC[C@H](O)CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820932359 583783118 /nfs/dbraw/zinc/78/31/18/583783118.db2.gz NENSYTDZBYRWHI-LBPRGKRZSA-N -1 3 332.364 -0.126 20 0 EBADHM CCC[C@@H](NC(N)=O)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000821138829 583785550 /nfs/dbraw/zinc/78/55/50/583785550.db2.gz IGKLOYUFFIJFEN-SNVBAGLBSA-N -1 3 347.383 -0.373 20 0 EBADHM CCC[C@@H](NC(N)=O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000821138829 583785551 /nfs/dbraw/zinc/78/55/51/583785551.db2.gz IGKLOYUFFIJFEN-SNVBAGLBSA-N -1 3 347.383 -0.373 20 0 EBADHM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821277571 583787695 /nfs/dbraw/zinc/78/76/95/583787695.db2.gz WDGMAMAYFLMMIS-SSDOTTSWSA-N -1 3 349.326 -0.415 20 0 EBADHM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821277571 583787697 /nfs/dbraw/zinc/78/76/97/583787697.db2.gz WDGMAMAYFLMMIS-SSDOTTSWSA-N -1 3 349.326 -0.415 20 0 EBADHM CCN1CCN([C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000821268084 583787789 /nfs/dbraw/zinc/78/77/89/583787789.db2.gz SFRFIYOIWNFCCH-LLVKDONJSA-N -1 3 332.412 -0.049 20 0 EBADHM CCN1CCN([C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000821268084 583787790 /nfs/dbraw/zinc/78/77/90/583787790.db2.gz SFRFIYOIWNFCCH-LLVKDONJSA-N -1 3 332.412 -0.049 20 0 EBADHM CCN1CCO[C@@H](C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000821276500 583787806 /nfs/dbraw/zinc/78/78/06/583787806.db2.gz MAROXIXUTYLWKS-GFCCVEGCSA-N -1 3 346.395 -0.490 20 0 EBADHM CCN1CCO[C@@H](C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000821276500 583787808 /nfs/dbraw/zinc/78/78/08/583787808.db2.gz MAROXIXUTYLWKS-GFCCVEGCSA-N -1 3 346.395 -0.490 20 0 EBADHM CCOC(=O)CN(CC(N)=O)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821329998 583788862 /nfs/dbraw/zinc/78/88/62/583788862.db2.gz AEPWBFUMHBUSLY-UHFFFAOYSA-N -1 3 338.349 -0.581 20 0 EBADHM CCOC(=O)CN(CC(N)=O)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821329998 583788864 /nfs/dbraw/zinc/78/88/64/583788864.db2.gz AEPWBFUMHBUSLY-UHFFFAOYSA-N -1 3 338.349 -0.581 20 0 EBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](O)C1 ZINC000821399771 583790802 /nfs/dbraw/zinc/79/08/02/583790802.db2.gz BCXVDHVDCXUNDF-SNVBAGLBSA-N -1 3 346.347 -0.203 20 0 EBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](O)C1 ZINC000821399771 583790804 /nfs/dbraw/zinc/79/08/04/583790804.db2.gz BCXVDHVDCXUNDF-SNVBAGLBSA-N -1 3 346.347 -0.203 20 0 EBADHM CCS(=O)(=O)NCC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000821442503 583791482 /nfs/dbraw/zinc/79/14/82/583791482.db2.gz UCMABALPCICSTE-UHFFFAOYSA-N -1 3 325.350 -0.151 20 0 EBADHM CCS(=O)(=O)NCC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000821442503 583791483 /nfs/dbraw/zinc/79/14/83/583791483.db2.gz UCMABALPCICSTE-UHFFFAOYSA-N -1 3 325.350 -0.151 20 0 EBADHM CCc1nnc(N2CCN[C@H](C(N)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821528544 583792421 /nfs/dbraw/zinc/79/24/21/583792421.db2.gz OSZYUSMUIIIPHE-JTQLQIEISA-N -1 3 331.384 -0.955 20 0 EBADHM CCc1nnc(N2CCN[C@H](C(N)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821528544 583792422 /nfs/dbraw/zinc/79/24/22/583792422.db2.gz 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COC[C@@H](O)CCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826151631 583884530 /nfs/dbraw/zinc/88/45/30/583884530.db2.gz GLPYFFJWRHKPPJ-VIFPVBQESA-N -1 3 327.366 -0.458 20 0 EBADHM COC[C@@H](O)CCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826151631 583884532 /nfs/dbraw/zinc/88/45/32/583884532.db2.gz GLPYFFJWRHKPPJ-VIFPVBQESA-N -1 3 327.366 -0.458 20 0 EBADHM COCCN1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1=O ZINC000826159406 583885908 /nfs/dbraw/zinc/88/59/08/583885908.db2.gz FGBNUPIGQAPYSG-UHFFFAOYSA-N -1 3 336.377 -0.141 20 0 EBADHM COCCN1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1=O ZINC000826159406 583885909 /nfs/dbraw/zinc/88/59/09/583885909.db2.gz FGBNUPIGQAPYSG-UHFFFAOYSA-N -1 3 336.377 -0.141 20 0 EBADHM COCCN(C)CCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826158057 583885937 /nfs/dbraw/zinc/88/59/37/583885937.db2.gz YHFUKDPJDHPCGY-CYBMUJFWSA-N -1 3 334.380 -0.406 20 0 EBADHM COCCOCCS(=O)(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826161223 583886184 /nfs/dbraw/zinc/88/61/84/583886184.db2.gz YBHJTLICPQXBQC-UHFFFAOYSA-N -1 3 341.393 -0.051 20 0 EBADHM COCCOCCS(=O)(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826161223 583886186 /nfs/dbraw/zinc/88/61/86/583886186.db2.gz YBHJTLICPQXBQC-UHFFFAOYSA-N -1 3 341.393 -0.051 20 0 EBADHM COCCOc1cc(C(=O)n2ncc(-c3nnn[n-]3)c2N)ccn1 ZINC000826160719 583886248 /nfs/dbraw/zinc/88/62/48/583886248.db2.gz CPNPNNUJXROIJA-UHFFFAOYSA-N -1 3 330.308 -0.246 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCN(C(=O)[C@H](C)O)CC1 ZINC000826183423 583887096 /nfs/dbraw/zinc/88/70/96/583887096.db2.gz OTYDNPMRXZSMOZ-NSHDSACASA-N -1 3 346.391 -0.100 20 0 EBADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(C(=O)[C@H](C)O)CC1 ZINC000826183423 583887097 /nfs/dbraw/zinc/88/70/97/583887097.db2.gz OTYDNPMRXZSMOZ-NSHDSACASA-N -1 3 346.391 -0.100 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000826184797 583887212 /nfs/dbraw/zinc/88/72/12/583887212.db2.gz LIWAWOJKOXHHPJ-GZMMTYOYSA-N -1 3 346.347 -0.347 20 0 EBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000826184797 583887214 /nfs/dbraw/zinc/88/72/14/583887214.db2.gz LIWAWOJKOXHHPJ-GZMMTYOYSA-N -1 3 346.347 -0.347 20 0 EBADHM COc1ccc(CN2CCN(C(=O)[C@@H](C)O)CC2)cc1-c1nnn[n-]1 ZINC000826195176 583887349 /nfs/dbraw/zinc/88/73/49/583887349.db2.gz KOYIFNRJRXWUOX-LLVKDONJSA-N -1 3 346.391 -0.100 20 0 EBADHM COc1ccc(CN2CCN(C(=O)[C@@H](C)O)CC2)cc1-c1nn[n-]n1 ZINC000826195176 583887351 /nfs/dbraw/zinc/88/73/51/583887351.db2.gz KOYIFNRJRXWUOX-LLVKDONJSA-N -1 3 346.391 -0.100 20 0 EBADHM COc1ccc(CNC(=O)N2CCO[C@@H](CO)C2)cc1-c1nnn[n-]1 ZINC000826197721 583887720 /nfs/dbraw/zinc/88/77/20/583887720.db2.gz ARQSPPKTHIQDRS-LLVKDONJSA-N -1 3 348.363 -0.222 20 0 EBADHM COc1ccc(CNC(=O)N2CCO[C@@H](CO)C2)cc1-c1nn[n-]n1 ZINC000826197721 583887721 /nfs/dbraw/zinc/88/77/21/583887721.db2.gz ARQSPPKTHIQDRS-LLVKDONJSA-N -1 3 348.363 -0.222 20 0 EBADHM COc1ccc(CNC(=O)N2CCNC(=O)[C@H]2C)cc1-c1nnn[n-]1 ZINC000826198445 583887746 /nfs/dbraw/zinc/88/77/46/583887746.db2.gz YQGXWFAAXNBEPJ-SECBINFHSA-N -1 3 345.363 -0.095 20 0 EBADHM COc1ccc(CNC(=O)N2CCNC(=O)[C@H]2C)cc1-c1nn[n-]n1 ZINC000826198445 583887747 /nfs/dbraw/zinc/88/77/47/583887747.db2.gz YQGXWFAAXNBEPJ-SECBINFHSA-N -1 3 345.363 -0.095 20 0 EBADHM COc1ccc(CNC(=O)N[C@H]2CCN(C)C2=O)cc1-c1nnn[n-]1 ZINC000826199246 583887763 /nfs/dbraw/zinc/88/77/63/583887763.db2.gz UABKDPQBLOSKFZ-NSHDSACASA-N -1 3 345.363 -0.095 20 0 EBADHM COc1ccc(CNC(=O)N[C@H]2CCN(C)C2=O)cc1-c1nn[n-]n1 ZINC000826199246 583887764 /nfs/dbraw/zinc/88/77/64/583887764.db2.gz UABKDPQBLOSKFZ-NSHDSACASA-N -1 3 345.363 -0.095 20 0 EBADHM COc1ccc(CNC(=O)N(C)[C@H]2CCNC2=O)cc1-c1nnn[n-]1 ZINC000826197593 583887789 /nfs/dbraw/zinc/88/77/89/583887789.db2.gz VUXLZENWFXBKGM-NSHDSACASA-N -1 3 345.363 -0.095 20 0 EBADHM COc1ccc(CNC(=O)N(C)[C@H]2CCNC2=O)cc1-c1nn[n-]n1 ZINC000826197593 583887790 /nfs/dbraw/zinc/88/77/90/583887790.db2.gz VUXLZENWFXBKGM-NSHDSACASA-N -1 3 345.363 -0.095 20 0 EBADHM COc1ncc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1C(N)=O ZINC000826222440 583888062 /nfs/dbraw/zinc/88/80/62/583888062.db2.gz WVRYZEVBJBOLQB-UHFFFAOYSA-N -1 3 328.292 -0.050 20 0 EBADHM COc1ncc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1C(N)=O ZINC000826222440 583888064 /nfs/dbraw/zinc/88/80/64/583888064.db2.gz WVRYZEVBJBOLQB-UHFFFAOYSA-N -1 3 328.292 -0.050 20 0 EBADHM C[S@](=O)CCN1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000826225050 583888878 /nfs/dbraw/zinc/88/88/78/583888878.db2.gz RSSNCPIZMHAKAK-QHCPKHFHSA-N -1 3 335.437 -0.242 20 0 EBADHM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)N(C)C ZINC000826231822 583889162 /nfs/dbraw/zinc/88/91/62/583889162.db2.gz CEKNXMKJVYYTJY-SSDOTTSWSA-N -1 3 342.356 -0.239 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000826247354 583889549 /nfs/dbraw/zinc/88/95/49/583889549.db2.gz AEAMWIMFNCPNEJ-ZDUSSCGKSA-N -1 3 346.391 -0.402 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000826247354 583889552 /nfs/dbraw/zinc/88/95/52/583889552.db2.gz AEAMWIMFNCPNEJ-ZDUSSCGKSA-N -1 3 346.391 -0.402 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCN1CCNC(=O)C1 ZINC000826248308 583889614 /nfs/dbraw/zinc/88/96/14/583889614.db2.gz CVQVPMVYYXVEMS-UHFFFAOYSA-N -1 3 329.364 -0.663 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCN1CCNC(=O)C1 ZINC000826248308 583889615 /nfs/dbraw/zinc/88/96/15/583889615.db2.gz CVQVPMVYYXVEMS-UHFFFAOYSA-N -1 3 329.364 -0.663 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC1(CO)COC1 ZINC000826256020 583889745 /nfs/dbraw/zinc/88/97/45/583889745.db2.gz RTXMAILXDHPLRV-UHFFFAOYSA-N -1 3 339.377 -0.538 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC1(CO)COC1 ZINC000826256020 583889748 /nfs/dbraw/zinc/88/97/48/583889748.db2.gz RTXMAILXDHPLRV-UHFFFAOYSA-N -1 3 339.377 -0.538 20 0 EBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@H]1CCNC1=O ZINC000826254856 583889821 /nfs/dbraw/zinc/88/98/21/583889821.db2.gz CTCCTRJSQRKYDK-JTQLQIEISA-N -1 3 336.377 -0.316 20 0 EBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@H]1CCNC1=O ZINC000826254856 583889823 /nfs/dbraw/zinc/88/98/23/583889823.db2.gz CTCCTRJSQRKYDK-JTQLQIEISA-N -1 3 336.377 -0.316 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCc1ncn(C)n1 ZINC000826280085 583890561 /nfs/dbraw/zinc/89/05/61/583890561.db2.gz MZAQRJPVRACXNT-UHFFFAOYSA-N -1 3 334.365 -0.218 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCc1ncn(C)n1 ZINC000826280085 583890563 /nfs/dbraw/zinc/89/05/63/583890563.db2.gz MZAQRJPVRACXNT-UHFFFAOYSA-N -1 3 334.365 -0.218 20 0 EBADHM Cc1cccc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)c1-c1nnn[n-]1 ZINC000826301563 583890889 /nfs/dbraw/zinc/89/08/89/583890889.db2.gz IPIPKFINVFMZKD-VIFPVBQESA-N -1 3 336.377 -0.316 20 0 EBADHM Cc1cccc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)c1-c1nn[n-]n1 ZINC000826301563 583890890 /nfs/dbraw/zinc/89/08/90/583890890.db2.gz IPIPKFINVFMZKD-VIFPVBQESA-N -1 3 336.377 -0.316 20 0 EBADHM Cc1ccnc(N2CC(n3cc(C(N)=O)nn3)C2)c1-c1nnn[n-]1 ZINC000826309270 583891270 /nfs/dbraw/zinc/89/12/70/583891270.db2.gz JRDHTTBXXAKHKU-UHFFFAOYSA-N -1 3 326.324 -0.678 20 0 EBADHM Cc1ccnc(N2CC(n3cc(C(N)=O)nn3)C2)c1-c1nn[n-]n1 ZINC000826309270 583891272 /nfs/dbraw/zinc/89/12/72/583891272.db2.gz JRDHTTBXXAKHKU-UHFFFAOYSA-N -1 3 326.324 -0.678 20 0 EBADHM Cc1nnc(N2CCN(C(=O)[C@@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000826335881 583891659 /nfs/dbraw/zinc/89/16/59/583891659.db2.gz FTYJJYHACHXHFI-SNVBAGLBSA-N -1 3 332.368 -0.697 20 0 EBADHM Cc1nnc(N2CCN(C(=O)[C@@H](C)O)CC2)c(-c2nn[n-]n2)c1C ZINC000826335881 583891661 /nfs/dbraw/zinc/89/16/61/583891661.db2.gz FTYJJYHACHXHFI-SNVBAGLBSA-N -1 3 332.368 -0.697 20 0 EBADHM Cc1oc(NC(=O)CN2C[C@H](O)C[C@H]2CO)c(-c2nnn[n-]2)c1C ZINC000826341988 583892030 /nfs/dbraw/zinc/89/20/30/583892030.db2.gz VIBYAQRFPDQBBK-VHSXEESVSA-N -1 3 336.352 -0.557 20 0 EBADHM Cc1oc(NC(=O)CN2C[C@H](O)C[C@H]2CO)c(-c2nn[n-]n2)c1C ZINC000826341988 583892031 /nfs/dbraw/zinc/89/20/31/583892031.db2.gz VIBYAQRFPDQBBK-VHSXEESVSA-N -1 3 336.352 -0.557 20 0 EBADHM Cc1oc(NC(=O)CN(C)[C@H]2CCNC2=O)c(-c2nnn[n-]2)c1C ZINC000826341335 583892110 /nfs/dbraw/zinc/89/21/10/583892110.db2.gz DXRNGISGTGAMTQ-VIFPVBQESA-N -1 3 333.352 -0.165 20 0 EBADHM Cn1cc(CCNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000826360491 583894367 /nfs/dbraw/zinc/89/43/67/583894367.db2.gz MHWNWTCNSHISST-UHFFFAOYSA-N -1 3 327.352 -0.234 20 0 EBADHM Cn1cc(CCNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000826360491 583894369 /nfs/dbraw/zinc/89/43/69/583894369.db2.gz MHWNWTCNSHISST-UHFFFAOYSA-N -1 3 327.352 -0.234 20 0 EBADHM Cn1cc(CCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826360710 583894468 /nfs/dbraw/zinc/89/44/68/583894468.db2.gz VBBJOUBSLRAPJN-CYBMUJFWSA-N -1 3 327.348 -0.008 20 0 EBADHM Cn1cc(CCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826360710 583894469 /nfs/dbraw/zinc/89/44/69/583894469.db2.gz VBBJOUBSLRAPJN-CYBMUJFWSA-N -1 3 327.348 -0.008 20 0 EBADHM Cn1cnc(CNC(=O)NCCOc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826364781 583894845 /nfs/dbraw/zinc/89/48/45/583894845.db2.gz KXTNAYKODNMBND-UHFFFAOYSA-N -1 3 343.351 -0.127 20 0 EBADHM Cn1cnc(CNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826364781 583894846 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/nfs/dbraw/zinc/96/63/21/582966321.db2.gz VRHYNHCMMCUGHD-LLVKDONJSA-N -1 3 332.368 -0.880 20 0 EBADHM COC(=O)[C@@H](OC(=O)[C@@H]1CNC(=O)N1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900477 582971642 /nfs/dbraw/zinc/97/16/42/582971642.db2.gz YILRKJCGPUPWPG-UWVGGRQHSA-N -1 3 346.303 -0.695 20 0 EBADHM COC(=O)[C@@H](OC(=O)[C@@H]1CNC(=O)N1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900477 582971644 /nfs/dbraw/zinc/97/16/44/582971644.db2.gz YILRKJCGPUPWPG-UWVGGRQHSA-N -1 3 346.303 -0.695 20 0 EBADHM COC(=O)CN(CC(=O)OC)C(=O)c1sccc1-c1nnn[n-]1 ZINC000736921475 582973029 /nfs/dbraw/zinc/97/30/29/582973029.db2.gz DHKJOGLGPBAFJT-UHFFFAOYSA-N -1 3 339.333 -0.284 20 0 EBADHM COC(=O)CN(CC(=O)OC)C(=O)c1sccc1-c1nn[n-]n1 ZINC000736921475 582973030 /nfs/dbraw/zinc/97/30/30/582973030.db2.gz DHKJOGLGPBAFJT-UHFFFAOYSA-N -1 3 339.333 -0.284 20 0 EBADHM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736931770 582975975 /nfs/dbraw/zinc/97/59/75/582975975.db2.gz VWCQPPYNSCGZFH-SSDOTTSWSA-N -1 3 334.292 -0.904 20 0 EBADHM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736931770 582975978 /nfs/dbraw/zinc/97/59/78/582975978.db2.gz VWCQPPYNSCGZFH-SSDOTTSWSA-N -1 3 334.292 -0.904 20 0 EBADHM CC[C@H]1CN(CCn2cccn2)CCN1CCC(=O)NCC(=O)[O-] ZINC000736942626 582976341 /nfs/dbraw/zinc/97/63/41/582976341.db2.gz BZEYHLPUJZHYKZ-AWEZNQCLSA-N -1 3 337.424 -0.130 20 0 EBADHM COC(=O)NCCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736938145 582977058 /nfs/dbraw/zinc/97/70/58/582977058.db2.gz PRQUCZIMLLJXPT-LLVKDONJSA-N -1 3 348.319 -0.318 20 0 EBADHM COC(=O)NCCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736938145 582977061 /nfs/dbraw/zinc/97/70/61/582977061.db2.gz PRQUCZIMLLJXPT-LLVKDONJSA-N -1 3 348.319 -0.318 20 0 EBADHM COC[C@@H]1CN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000736977222 582978938 /nfs/dbraw/zinc/97/89/38/582978938.db2.gz WGAGOGYCLGIEFO-AWEZNQCLSA-N -1 3 346.391 -0.170 20 0 EBADHM COC[C@@H]1CN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000736977222 582978940 /nfs/dbraw/zinc/97/89/40/582978940.db2.gz WGAGOGYCLGIEFO-AWEZNQCLSA-N -1 3 346.391 -0.170 20 0 EBADHM COCCCS(=O)(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736987060 582979894 /nfs/dbraw/zinc/97/98/94/582979894.db2.gz BCEIDZPFWBPGFA-UHFFFAOYSA-N -1 3 341.397 -0.371 20 0 EBADHM COCCCS(=O)(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736987060 582979895 /nfs/dbraw/zinc/97/98/95/582979895.db2.gz BCEIDZPFWBPGFA-UHFFFAOYSA-N -1 3 341.397 -0.371 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCNC(N)=O ZINC000737025062 582984742 /nfs/dbraw/zinc/98/47/42/582984742.db2.gz XCRVIOWUPOKBSY-UHFFFAOYSA-N -1 3 335.324 -0.961 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCNC(N)=O ZINC000737025062 582984743 /nfs/dbraw/zinc/98/47/43/582984743.db2.gz XCRVIOWUPOKBSY-UHFFFAOYSA-N -1 3 335.324 -0.961 20 0 EBADHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C2OCCO2)cn1 ZINC000888439030 582987277 /nfs/dbraw/zinc/98/72/77/582987277.db2.gz JBDOXCRFUVVEJA-LLVKDONJSA-N -1 3 341.389 -0.033 20 0 EBADHM CCN1CCN(C2CCN(CCC(=O)NCC(=O)[O-])CC2)C1=O ZINC000737115264 582990547 /nfs/dbraw/zinc/99/05/47/582990547.db2.gz KHUWVWYRRYXHLS-UHFFFAOYSA-N -1 3 326.397 -0.201 20 0 EBADHM CS(=O)(=O)CCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737162049 582993340 /nfs/dbraw/zinc/99/33/40/582993340.db2.gz ICMBTVUJNGRBFW-UHFFFAOYSA-N -1 3 332.363 -0.380 20 0 EBADHM CS(=O)(=O)CCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737162049 582993343 /nfs/dbraw/zinc/99/33/43/582993343.db2.gz ICMBTVUJNGRBFW-UHFFFAOYSA-N -1 3 332.363 -0.380 20 0 EBADHM CS(=O)(=O)NCCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737169333 582994836 /nfs/dbraw/zinc/99/48/36/582994836.db2.gz SJIWACLJAXPWIJ-UHFFFAOYSA-N -1 3 343.340 -0.012 20 0 EBADHM CS(=O)(=O)NCCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737169333 582994839 /nfs/dbraw/zinc/99/48/39/582994839.db2.gz SJIWACLJAXPWIJ-UHFFFAOYSA-N -1 3 343.340 -0.012 20 0 EBADHM Cc1c(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)nnn1C ZINC000737214129 582996747 /nfs/dbraw/zinc/99/67/47/582996747.db2.gz FYEKDFDSZWIZTB-UHFFFAOYSA-N -1 3 328.340 -0.459 20 0 EBADHM Cc1c(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)nnn1C ZINC000737214129 582996751 /nfs/dbraw/zinc/99/67/51/582996751.db2.gz FYEKDFDSZWIZTB-UHFFFAOYSA-N -1 3 328.340 -0.459 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[S@](C)=O ZINC000737290505 583003997 /nfs/dbraw/zinc/00/39/97/583003997.db2.gz WPHXXAWQZMLWRD-QHCPKHFHSA-N -1 3 336.377 -0.392 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[S@](C)=O ZINC000737290505 583004000 /nfs/dbraw/zinc/00/40/00/583004000.db2.gz WPHXXAWQZMLWRD-QHCPKHFHSA-N -1 3 336.377 -0.392 20 0 EBADHM CN(C)C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CCO1 ZINC000737366996 583006191 /nfs/dbraw/zinc/00/61/91/583006191.db2.gz YVNAEOJVARYVOP-JTQLQIEISA-N -1 3 343.405 -0.201 20 0 EBADHM CN(CC(=O)[O-])C(=O)CCN1CCN(CC2CCOCC2)CC1 ZINC000737401917 583007405 /nfs/dbraw/zinc/00/74/05/583007405.db2.gz YHUYRSSARJNDJE-UHFFFAOYSA-N -1 3 327.425 -0.036 20 0 EBADHM CN1CCC(O)(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000737516012 583012436 /nfs/dbraw/zinc/01/24/36/583012436.db2.gz YJHSVGGGQLAOQZ-UHFFFAOYSA-N -1 3 335.360 -0.104 20 0 EBADHM Cc1nnc2n1C[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000737531795 583012707 /nfs/dbraw/zinc/01/27/07/583012707.db2.gz FDZHMFJDGUHSPA-JTQLQIEISA-N -1 3 325.336 -0.094 20 0 EBADHM Cc1nnc2n1C[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000737531795 583012709 /nfs/dbraw/zinc/01/27/09/583012709.db2.gz FDZHMFJDGUHSPA-JTQLQIEISA-N -1 3 325.336 -0.094 20 0 EBADHM Cn1cc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737600897 583019538 /nfs/dbraw/zinc/01/95/38/583019538.db2.gz BCJASAUHWRENMX-UHFFFAOYSA-N -1 3 340.347 -0.354 20 0 EBADHM Cn1cc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737600897 583019539 /nfs/dbraw/zinc/01/95/39/583019539.db2.gz BCJASAUHWRENMX-UHFFFAOYSA-N -1 3 340.347 -0.354 20 0 EBADHM Cn1nc(C(=O)NCCOc2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC000737621418 583023237 /nfs/dbraw/zinc/02/32/37/583023237.db2.gz GNGYCCNESSZHKY-UHFFFAOYSA-N -1 3 341.331 -0.231 20 0 EBADHM Cn1nc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000737621418 583023239 /nfs/dbraw/zinc/02/32/39/583023239.db2.gz GNGYCCNESSZHKY-UHFFFAOYSA-N -1 3 341.331 -0.231 20 0 EBADHM Cn1nnnc1N1CCN(c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737628915 583023646 /nfs/dbraw/zinc/02/36/46/583023646.db2.gz YJJCNAADYNXSSY-UHFFFAOYSA-N -1 3 330.331 -0.144 20 0 EBADHM Cn1nnnc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737628915 583023647 /nfs/dbraw/zinc/02/36/47/583023647.db2.gz YJJCNAADYNXSSY-UHFFFAOYSA-N -1 3 330.331 -0.144 20 0 EBADHM NC(=O)CN1C[C@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000737744859 583024859 /nfs/dbraw/zinc/02/48/59/583024859.db2.gz CDTWHQKRJUCLOM-SNVBAGLBSA-N -1 3 330.304 -0.890 20 0 EBADHM NC(=O)CN1C[C@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000737744859 583024862 /nfs/dbraw/zinc/02/48/62/583024862.db2.gz CDTWHQKRJUCLOM-SNVBAGLBSA-N -1 3 330.304 -0.890 20 0 EBADHM NC(=O)CSCC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737751969 583025510 /nfs/dbraw/zinc/02/55/10/583025510.db2.gz CACKIYUMEGPONU-UHFFFAOYSA-N -1 3 336.381 -0.992 20 0 EBADHM NC(=O)CSCC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737751969 583025512 /nfs/dbraw/zinc/02/55/12/583025512.db2.gz CACKIYUMEGPONU-UHFFFAOYSA-N -1 3 336.381 -0.992 20 0 EBADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000737778447 583027834 /nfs/dbraw/zinc/02/78/34/583027834.db2.gz ZFUTUCSRMLKMSF-UHFFFAOYSA-N -1 3 348.348 -0.824 20 0 EBADHM O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccncc1-c1nnn[n-]1 ZINC000737876757 583030873 /nfs/dbraw/zinc/03/08/73/583030873.db2.gz HGYVOXLWFLEZKL-UHFFFAOYSA-N -1 3 349.310 -0.082 20 0 EBADHM O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccncc1-c1nn[n-]n1 ZINC000737876757 583030875 /nfs/dbraw/zinc/03/08/75/583030875.db2.gz HGYVOXLWFLEZKL-UHFFFAOYSA-N -1 3 349.310 -0.082 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)O[C@H]1CCOC1=O ZINC000737890249 583032056 /nfs/dbraw/zinc/03/20/56/583032056.db2.gz WFIFRUZWWFFRNF-JTQLQIEISA-N -1 3 331.288 -0.545 20 0 EBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCOC1=O ZINC000737890249 583032061 /nfs/dbraw/zinc/03/20/61/583032061.db2.gz WFIFRUZWWFFRNF-JTQLQIEISA-N -1 3 331.288 -0.545 20 0 EBADHM O=C(CN1CCC(=O)NC1=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000738304026 583048805 /nfs/dbraw/zinc/04/88/05/583048805.db2.gz KHSAZVGOCXXDNB-UHFFFAOYSA-N -1 3 348.294 -0.009 20 0 EBADHM O=C(CN1CCC(=O)NC1=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000738304026 583048809 /nfs/dbraw/zinc/04/88/09/583048809.db2.gz KHSAZVGOCXXDNB-UHFFFAOYSA-N -1 3 348.294 -0.009 20 0 EBADHM O=C([C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)C1 ZINC000738303476 583048943 /nfs/dbraw/zinc/04/89/43/583048943.db2.gz RVYPDQKAWRBSGB-CYBMUJFWSA-N -1 3 341.375 -0.206 20 0 EBADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)C1 ZINC000738303476 583048944 /nfs/dbraw/zinc/04/89/44/583048944.db2.gz RVYPDQKAWRBSGB-CYBMUJFWSA-N -1 3 341.375 -0.206 20 0 EBADHM O=C(CN1CCC(=O)NC1=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000738303835 583048988 /nfs/dbraw/zinc/04/89/88/583048988.db2.gz IHUHHHXDZCNAQN-UHFFFAOYSA-N -1 3 330.304 -0.148 20 0 EBADHM O=C(CN1CCC(=O)NC1=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000738303835 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COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)[C@@H]1CCNC1=O ZINC000826174130 583886766 /nfs/dbraw/zinc/88/67/66/583886766.db2.gz JMUUWSVAXMKYTP-SNVBAGLBSA-N -1 3 346.347 -0.399 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)[C@@H]1CCNC1=O ZINC000826174130 583886767 /nfs/dbraw/zinc/88/67/67/583886767.db2.gz JMUUWSVAXMKYTP-SNVBAGLBSA-N -1 3 346.347 -0.399 20 0 EBADHM CON(C)C(=O)CN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826166258 583886812 /nfs/dbraw/zinc/88/68/12/583886812.db2.gz BHEFPJDIWMCYDP-UHFFFAOYSA-N -1 3 332.368 -0.597 20 0 EBADHM CON(C)C(=O)CN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826166258 583886814 /nfs/dbraw/zinc/88/68/14/583886814.db2.gz BHEFPJDIWMCYDP-UHFFFAOYSA-N -1 3 332.368 -0.597 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCS(N)(=O)=O ZINC000826186155 583886994 /nfs/dbraw/zinc/88/69/94/583886994.db2.gz HJGXHEJIEFKARG-UHFFFAOYSA-N -1 3 341.353 -0.715 20 0 EBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCS(N)(=O)=O ZINC000826186155 583886996 /nfs/dbraw/zinc/88/69/96/583886996.db2.gz HJGXHEJIEFKARG-UHFFFAOYSA-N -1 3 341.353 -0.715 20 0 EBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCOC1 ZINC000826184710 583887279 /nfs/dbraw/zinc/88/72/79/583887279.db2.gz ICCXWKDGCYWDSV-SECBINFHSA-N -1 3 332.320 -0.281 20 0 EBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCOC1 ZINC000826184710 583887281 /nfs/dbraw/zinc/88/72/81/583887281.db2.gz ICCXWKDGCYWDSV-SECBINFHSA-N -1 3 332.320 -0.281 20 0 EBADHM COc1ccc(CN2CC[C@@]3(C2)NC(=O)NC3=O)cc1-c1nnn[n-]1 ZINC000826194079 583887408 /nfs/dbraw/zinc/88/74/08/583887408.db2.gz AAEPSKOFPAJFPE-HNNXBMFYSA-N -1 3 343.347 -0.341 20 0 EBADHM COc1ccc(CNC(=O)NCCn2cncn2)cc1-c1nnn[n-]1 ZINC000826199869 583887708 /nfs/dbraw/zinc/88/77/08/583887708.db2.gz PDWKTTGYSFYKKT-UHFFFAOYSA-N -1 3 343.351 -0.034 20 0 EBADHM COc1ccc(CNC(=O)NCCn2cncn2)cc1-c1nn[n-]n1 ZINC000826199869 583887709 /nfs/dbraw/zinc/88/77/09/583887709.db2.gz PDWKTTGYSFYKKT-UHFFFAOYSA-N -1 3 343.351 -0.034 20 0 EBADHM COc1ccc(CNC(=O)N[C@H]2CCCNC2=O)cc1-c1nnn[n-]1 ZINC000826199478 583887740 /nfs/dbraw/zinc/88/77/40/583887740.db2.gz ZUBGVHFJBWOFSB-NSHDSACASA-N -1 3 345.363 -0.047 20 0 EBADHM COc1ccc(CNC(=O)N[C@H]2CCCNC2=O)cc1-c1nn[n-]n1 ZINC000826199478 583887741 /nfs/dbraw/zinc/88/77/41/583887741.db2.gz ZUBGVHFJBWOFSB-NSHDSACASA-N -1 3 345.363 -0.047 20 0 EBADHM CS(=O)(=O)CCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000826223030 583888264 /nfs/dbraw/zinc/88/82/64/583888264.db2.gz YUMHIIAMWRULSY-UHFFFAOYSA-N -1 3 337.409 -0.572 20 0 EBADHM CS(=O)(=O)CCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000826223030 583888265 /nfs/dbraw/zinc/88/82/65/583888265.db2.gz YUMHIIAMWRULSY-UHFFFAOYSA-N -1 3 337.409 -0.572 20 0 EBADHM CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000826223130 583888288 /nfs/dbraw/zinc/88/82/88/583888288.db2.gz CDISXPAWYWPVMN-MRVPVSSYSA-N -1 3 339.381 -0.651 20 0 EBADHM CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000826223130 583888289 /nfs/dbraw/zinc/88/82/89/583888289.db2.gz CDISXPAWYWPVMN-MRVPVSSYSA-N -1 3 339.381 -0.651 20 0 EBADHM C[S@](=O)CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826224356 583888711 /nfs/dbraw/zinc/88/87/11/583888711.db2.gz BETCXZHNKWZLJG-FQEVSTJZSA-N -1 3 333.370 -0.337 20 0 EBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(N)=O ZINC000826232200 583889144 /nfs/dbraw/zinc/88/91/44/583889144.db2.gz APQGREMYRCKJIY-YFKPBYRVSA-N -1 3 330.757 -0.328 20 0 EBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(N)=O ZINC000826232200 583889145 /nfs/dbraw/zinc/88/91/45/583889145.db2.gz APQGREMYRCKJIY-YFKPBYRVSA-N -1 3 330.757 -0.328 20 0 EBADHM Cc1c(Cl)cnc(N2CCN(CC(N)=O)CC2)c1-c1nnn[n-]1 ZINC000826237793 583889444 /nfs/dbraw/zinc/88/94/44/583889444.db2.gz LRKHUXQWDGDLMY-UHFFFAOYSA-N -1 3 336.787 -0.169 20 0 EBADHM Cc1c(Cl)cnc(N2CCN(CC(N)=O)CC2)c1-c1nn[n-]n1 ZINC000826237793 583889446 /nfs/dbraw/zinc/88/94/46/583889446.db2.gz LRKHUXQWDGDLMY-UHFFFAOYSA-N -1 3 336.787 -0.169 20 0 EBADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCN(C(=O)[C@H](C)O)CC2)n1 ZINC000826261997 583890066 /nfs/dbraw/zinc/89/00/66/583890066.db2.gz BBBMTIYPOLGIPW-NSHDSACASA-N -1 3 331.380 -0.092 20 0 EBADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCN(C(=O)[C@H](C)O)CC2)n1 ZINC000826261997 583890069 /nfs/dbraw/zinc/89/00/69/583890069.db2.gz BBBMTIYPOLGIPW-NSHDSACASA-N -1 3 331.380 -0.092 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@]1(O)CCOC1 ZINC000826280321 583890436 /nfs/dbraw/zinc/89/04/36/583890436.db2.gz XJUZRZSQEXPVJT-CYBMUJFWSA-N -1 3 339.377 -0.395 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@]1(O)CCOC1 ZINC000826280321 583890437 /nfs/dbraw/zinc/89/04/37/583890437.db2.gz XJUZRZSQEXPVJT-CYBMUJFWSA-N -1 3 339.377 -0.395 20 0 EBADHM Cc1cccc(NC(=O)C(=O)NCC2(C)OCCO2)c1-c1nnn[n-]1 ZINC000826298943 583890865 /nfs/dbraw/zinc/89/08/65/583890865.db2.gz LPAQRNOLZKCHHZ-UHFFFAOYSA-N -1 3 346.347 -0.007 20 0 EBADHM Cc1cccc(NC(=O)C(=O)NCC2(C)OCCO2)c1-c1nn[n-]n1 ZINC000826298943 583890866 /nfs/dbraw/zinc/89/08/66/583890866.db2.gz LPAQRNOLZKCHHZ-UHFFFAOYSA-N -1 3 346.347 -0.007 20 0 EBADHM Cc1nnc(CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)[nH]1 ZINC000826325848 583891340 /nfs/dbraw/zinc/89/13/40/583891340.db2.gz OANIITRDARSMIT-UHFFFAOYSA-N -1 3 327.356 -0.595 20 0 EBADHM Cc1nnc(CCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)[nH]1 ZINC000826325076 583891384 /nfs/dbraw/zinc/89/13/84/583891384.db2.gz NBFKNJFMONTTGN-LBPRGKRZSA-N -1 3 328.336 -0.314 20 0 EBADHM Cc1nnc(CCNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000826325076 583891385 /nfs/dbraw/zinc/89/13/85/583891385.db2.gz NBFKNJFMONTTGN-LBPRGKRZSA-N -1 3 328.336 -0.314 20 0 EBADHM Cc1cccc(S(=O)(=O)NC[C@@H]2COCCO2)c1-c1nnn[n-]1 ZINC000826303594 583891439 /nfs/dbraw/zinc/89/14/39/583891439.db2.gz WLVMKYOFTHMQKF-SNVBAGLBSA-N -1 3 339.377 -0.131 20 0 EBADHM Cc1cccc(S(=O)(=O)NC[C@@H]2COCCO2)c1-c1nn[n-]n1 ZINC000826303594 583891440 /nfs/dbraw/zinc/89/14/40/583891440.db2.gz WLVMKYOFTHMQKF-SNVBAGLBSA-N -1 3 339.377 -0.131 20 0 EBADHM Cc1nnc(N2CC(n3cc([C@H](C)O)nn3)C2)c(-c2nnn[n-]2)c1C ZINC000826335926 583891860 /nfs/dbraw/zinc/89/18/60/583891860.db2.gz GSRCVKHHXQDWAA-VIFPVBQESA-N -1 3 342.367 -0.020 20 0 EBADHM Cc1nnc(N2CC(n3cc([C@H](C)O)nn3)C2)c(-c2nn[n-]n2)c1C ZINC000826335926 583891862 /nfs/dbraw/zinc/89/18/62/583891862.db2.gz GSRCVKHHXQDWAA-VIFPVBQESA-N -1 3 342.367 -0.020 20 0 EBADHM Cc1onc(CC(=O)NCCCCN2CCOCC2)c1-c1nnn[n-]1 ZINC000826347077 583893060 /nfs/dbraw/zinc/89/30/60/583893060.db2.gz DNGRLCYOOKPNKD-UHFFFAOYSA-N -1 3 349.395 -0.066 20 0 EBADHM Cc1onc(CC(=O)NCCCCN2CCOCC2)c1-c1nn[n-]n1 ZINC000826347077 583893062 /nfs/dbraw/zinc/89/30/62/583893062.db2.gz DNGRLCYOOKPNKD-UHFFFAOYSA-N -1 3 349.395 -0.066 20 0 EBADHM Cn1cc(CN(c2cccc(-c3nnn[n-]3)c2)S(C)(=O)=O)nn1 ZINC000826360630 583894326 /nfs/dbraw/zinc/89/43/26/583894326.db2.gz RSTXTTRHOSOOJJ-UHFFFAOYSA-N -1 3 334.365 -0.039 20 0 EBADHM Cn1cc(CN(c2cccc(-c3nn[n-]n3)c2)S(C)(=O)=O)nn1 ZINC000826360630 583894328 /nfs/dbraw/zinc/89/43/28/583894328.db2.gz RSTXTTRHOSOOJJ-UHFFFAOYSA-N -1 3 334.365 -0.039 20 0 EBADHM Cn1cc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)nn1 ZINC000826361614 583894532 /nfs/dbraw/zinc/89/45/32/583894532.db2.gz FRGGSMKAISGOSR-UHFFFAOYSA-N -1 3 338.328 -0.387 20 0 EBADHM Cn1cc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)nn1 ZINC000826361614 583894533 /nfs/dbraw/zinc/89/45/33/583894533.db2.gz FRGGSMKAISGOSR-UHFFFAOYSA-N -1 3 338.328 -0.387 20 0 EBADHM Cn1cc([C@H](O)CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826359564 583894553 /nfs/dbraw/zinc/89/45/53/583894553.db2.gz KPGIXJJXQOVOKZ-CHWSQXEVSA-N -1 3 343.347 -0.517 20 0 EBADHM Cn1cc([C@H](O)CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826359564 583894554 /nfs/dbraw/zinc/89/45/54/583894554.db2.gz KPGIXJJXQOVOKZ-CHWSQXEVSA-N -1 3 343.347 -0.517 20 0 EBADHM Cn1cc(N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2=O)cn1 ZINC000826362291 583894556 /nfs/dbraw/zinc/89/45/56/583894556.db2.gz MDAHAXAZAYUNPT-NSHDSACASA-N -1 3 341.335 -0.536 20 0 EBADHM Cn1cc(N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2=O)cn1 ZINC000826362291 583894557 /nfs/dbraw/zinc/89/45/57/583894557.db2.gz MDAHAXAZAYUNPT-NSHDSACASA-N -1 3 341.335 -0.536 20 0 EBADHM Cn1nnnc1CCNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826367424 583895789 /nfs/dbraw/zinc/89/57/89/583895789.db2.gz YMFRETLCXZGINS-UHFFFAOYSA-N -1 3 334.731 -0.589 20 0 EBADHM Cn1nnnc1CCNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826367424 583895790 /nfs/dbraw/zinc/89/57/90/583895790.db2.gz YMFRETLCXZGINS-UHFFFAOYSA-N -1 3 334.731 -0.589 20 0 EBADHM Cn1ncn(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1=O ZINC000826367381 583895817 /nfs/dbraw/zinc/89/58/17/583895817.db2.gz XFTMAQNFUYPFHL-UHFFFAOYSA-N -1 3 325.292 -0.140 20 0 EBADHM Cn1ncn(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1=O ZINC000826367381 583895819 /nfs/dbraw/zinc/89/58/19/583895819.db2.gz XFTMAQNFUYPFHL-UHFFFAOYSA-N -1 3 325.292 -0.140 20 0 EBADHM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000826389767 583896158 /nfs/dbraw/zinc/89/61/58/583896158.db2.gz HXDDLNPHAKNQIT-WOPDTQHZSA-N -1 3 346.347 -0.951 20 0 EBADHM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000826389767 583896160 /nfs/dbraw/zinc/89/61/60/583896160.db2.gz HXDDLNPHAKNQIT-WOPDTQHZSA-N -1 3 346.347 -0.951 20 0 EBADHM NC(=O)[C@@H]1CSCCN1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390504 583896445 /nfs/dbraw/zinc/89/64/45/583896445.db2.gz BUOHQXDUYXAKAZ-NWDGAFQWSA-N -1 3 334.405 -0.197 20 0 EBADHM NC(=O)[C@@H]1CSCCN1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390504 583896447 /nfs/dbraw/zinc/89/64/47/583896447.db2.gz BUOHQXDUYXAKAZ-NWDGAFQWSA-N -1 3 334.405 -0.197 20 0 EBADHM NC(=O)CN1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000826391468 583896856 /nfs/dbraw/zinc/89/68/56/583896856.db2.gz MQVCMWWGAPEFIM-UHFFFAOYSA-N -1 3 341.379 -0.883 20 0 EBADHM NC(=O)CN1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000826391468 583896857 /nfs/dbraw/zinc/89/68/57/583896857.db2.gz MQVCMWWGAPEFIM-UHFFFAOYSA-N -1 3 341.379 -0.883 20 0 EBADHM NC(=O)N[C@@H]1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000826392081 583897322 /nfs/dbraw/zinc/89/73/22/583897322.db2.gz MVQIXYXNJACJMP-SNVBAGLBSA-N -1 3 327.352 -0.243 20 0 EBADHM NC(=O)N[C@@H]1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1 ZINC000826392081 583897326 /nfs/dbraw/zinc/89/73/26/583897326.db2.gz MVQIXYXNJACJMP-SNVBAGLBSA-N -1 3 327.352 -0.243 20 0 EBADHM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826392026 583897399 /nfs/dbraw/zinc/89/73/99/583897399.db2.gz LGEWAPDMFMIWCB-MRVPVSSYSA-N -1 3 337.365 -0.702 20 0 EBADHM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000826392026 583897400 /nfs/dbraw/zinc/89/74/00/583897400.db2.gz LGEWAPDMFMIWCB-MRVPVSSYSA-N -1 3 337.365 -0.702 20 0 EBADHM NC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826392395 583897716 /nfs/dbraw/zinc/89/77/16/583897716.db2.gz WVOSRIKRDXWXIA-VIFPVBQESA-N -1 3 337.365 -0.702 20 0 EBADHM NC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826392395 583897717 /nfs/dbraw/zinc/89/77/17/583897717.db2.gz WVOSRIKRDXWXIA-VIFPVBQESA-N -1 3 337.365 -0.702 20 0 EBADHM NS(=O)(=O)[C@@H]1CCN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826394802 583898301 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805270567 /nfs/dbraw/zinc/27/05/67/805270567.db2.gz OXAOZPQLTCUTQW-KWQFWETISA-N -1 3 349.395 -0.130 20 0 EBADHM C[C@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC000979306152 805280296 /nfs/dbraw/zinc/28/02/96/805280296.db2.gz TUTDYXXLUNSPOB-CMPLNLGQSA-N -1 3 334.380 -0.544 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)N1CCO[C@@H]([C@@H](C)NCc2cnon2)C1 ZINC000979361511 805325984 /nfs/dbraw/zinc/32/59/84/805325984.db2.gz OYDJNZDHYZQYPH-BXKDBHETSA-N -1 3 348.363 -0.107 20 0 EBADHM C[C@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000979435943 805377401 /nfs/dbraw/zinc/37/74/01/805377401.db2.gz VIBNAVWRWCRVOE-WDEREUQCSA-N -1 3 325.413 -0.140 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnnc1 ZINC000979492557 805397597 /nfs/dbraw/zinc/39/75/97/805397597.db2.gz PPXUBRBTKJJAPT-PJXYFTJBSA-N -1 3 340.343 -0.219 20 0 EBADHM Nc1nccnc1C(=O)N1C[C@@H]2CC[C@H](NC(=O)c3cn[n-]n3)[C@H]2C1 ZINC000979742626 805523066 /nfs/dbraw/zinc/52/30/66/805523066.db2.gz 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O=C(NCc1nc(CNC(=O)c2ccn[nH]2)cc(=O)[n-]1)c1ccon1 ZINC000984125961 807173913 /nfs/dbraw/zinc/17/39/13/807173913.db2.gz UFBOBHDOOBSMJV-UHFFFAOYSA-N -1 3 343.303 -0.247 20 0 EBADHM CCC(=O)N1CC[C@@H](C(=O)NCc2cc(=O)[n-]c(CNC(C)=O)n2)C1 ZINC000984126823 807175088 /nfs/dbraw/zinc/17/50/88/807175088.db2.gz NOYBDTSTRBCLCO-LLVKDONJSA-N -1 3 349.391 -0.307 20 0 EBADHM CC(=O)NCc1nc(CNC(=O)c2cc(C(N)=O)c[nH]2)cc(=O)[n-]1 ZINC000984127840 807175477 /nfs/dbraw/zinc/17/54/77/807175477.db2.gz VQXUFVZOLBEWDZ-UHFFFAOYSA-N -1 3 332.320 -0.825 20 0 EBADHM C[C@@H]1C[C@@H]1C(=O)NCc1nc(CNC(=O)c2cnon2)cc(=O)[n-]1 ZINC000984126778 807175588 /nfs/dbraw/zinc/17/55/88/807175588.db2.gz BMAAQXHIJWNHQZ-APPZFPTMSA-N -1 3 332.320 -0.233 20 0 EBADHM CC(=O)NCc1nc(CNC(=O)[C@H]2CCc3n[nH]cc3C2)cc(=O)[n-]1 ZINC000984128575 807176934 /nfs/dbraw/zinc/17/69/34/807176934.db2.gz ZCHGIIZCIJOJPZ-JTQLQIEISA-N -1 3 344.375 -0.037 20 0 EBADHM CC(=O)NCc1nc(CNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)cc(=O)[n-]1 ZINC000984131793 807178928 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348.319 -0.852 20 0 EBADHM CC(=O)NCc1cc(=O)[n-]c(CNC(=O)c2cccnc2C(N)=O)n1 ZINC000984140627 807187065 /nfs/dbraw/zinc/18/70/65/807187065.db2.gz PNXIHOUOEITZGJ-UHFFFAOYSA-N -1 3 344.331 -0.758 20 0 EBADHM Cn1ccc(C(=O)NCc2nc(CNC(=O)C3CC3)cc(=O)[n-]2)n1 ZINC000984141528 807187910 /nfs/dbraw/zinc/18/79/10/807187910.db2.gz RVWNWRASPQYBKV-UHFFFAOYSA-N -1 3 330.348 -0.128 20 0 EBADHM CC(=O)NCc1cc(=O)[n-]c(CNC(=O)c2cnc3cccnn32)n1 ZINC000984141001 807187980 /nfs/dbraw/zinc/18/79/80/807187980.db2.gz QRPZHMCNTPBUAI-UHFFFAOYSA-N -1 3 341.331 -0.209 20 0 EBADHM O=C(NCc1nc(CNC(=O)c2cnco2)cc(=O)[n-]1)c1cnon1 ZINC000984142071 807188720 /nfs/dbraw/zinc/18/87/20/807188720.db2.gz SAGMLIVIVLTMBA-UHFFFAOYSA-N -1 3 345.275 -0.587 20 0 EBADHM C[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)c2ncn(C)n2)n1 ZINC000984142544 807188760 /nfs/dbraw/zinc/18/87/60/807188760.db2.gz XTCFVGVLAYENNP-PSASIEDQSA-N -1 3 345.363 -0.487 20 0 EBADHM CN(C(=O)c1cnc[n-]c1=O)[C@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC000984143462 807189848 /nfs/dbraw/zinc/18/98/48/807189848.db2.gz UYRVCIBJEZKGDM-JTQLQIEISA-N -1 3 345.363 -0.313 20 0 EBADHM O=C(NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC(=O)N2)n1)C1CCC1 ZINC000984143997 807190206 /nfs/dbraw/zinc/19/02/06/807190206.db2.gz LTCBPZGMYDUKJF-NSHDSACASA-N -1 3 347.375 -0.507 20 0 EBADHM COc1nccc(C(=O)NCc2nc(CNC(C)=O)cc(=O)[n-]2)n1 ZINC000984144629 807191201 /nfs/dbraw/zinc/19/12/01/807191201.db2.gz QCIKEIREBJBKSD-UHFFFAOYSA-N -1 3 332.320 -0.453 20 0 EBADHM CCOc1cnc(C(=O)NCc2nc(CNC(C)=O)cc(=O)[n-]2)cn1 ZINC000984147007 807191808 /nfs/dbraw/zinc/19/18/08/807191808.db2.gz KWNHXOXVIXYSJC-UHFFFAOYSA-N -1 3 346.347 -0.063 20 0 EBADHM CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)n1 ZINC000984148714 807193451 /nfs/dbraw/zinc/19/34/51/807193451.db2.gz UIXRHZSVBRZUCY-WPRPVWTQSA-N -1 3 335.364 -0.651 20 0 EBADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H](N(C)C(=O)C(N)=O)C2)c(=O)[n-]1 ZINC000984203383 807215155 /nfs/dbraw/zinc/21/51/55/807215155.db2.gz DJYBESBYRMVKLL-LLVKDONJSA-N -1 3 349.391 -0.724 20 0 EBADHM CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC000984331543 807260139 /nfs/dbraw/zinc/26/01/39/807260139.db2.gz FDYSIJOXZNKBNY-GXSJLCMTSA-N -1 3 349.347 -0.646 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H](CNCc2nnn(C)n2)C1 ZINC000984631568 807356245 /nfs/dbraw/zinc/35/62/45/807356245.db2.gz IOOPBYUNYDIOJT-MGCOHNPYSA-N -1 3 332.368 -0.688 20 0 EBADHM CN(C(=O)c1cnc[n-]c1=O)[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC000984685428 807370818 /nfs/dbraw/zinc/37/08/18/807370818.db2.gz DGEQXYAORXSNRX-JTQLQIEISA-N -1 3 345.363 -0.394 20 0 EBADHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)c1cn(C)ccc1=O ZINC000985100393 807443367 /nfs/dbraw/zinc/44/33/67/807443367.db2.gz LNMOXZWJBREWLI-WCQYABFASA-N -1 3 344.375 -0.074 20 0 EBADHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)[C@H]1CCN(C)C1=O ZINC000985103758 807445497 /nfs/dbraw/zinc/44/54/97/807445497.db2.gz NJDVRHRCYCHPPR-JBLDHEPKSA-N -1 3 334.380 -0.608 20 0 EBADHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)[C@@H]1CC(=O)N(C)C1 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CC(C)[C@H]1C[C@H]1C(=O)N(CCO)CCNCc1nc(=O)n(C)[n-]1 ZINC001279869372 817997965 /nfs/dbraw/zinc/99/79/65/817997965.db2.gz PDDIKSIXOOLQQQ-VXGBXAGGSA-N -1 3 325.413 -0.689 20 0 EBADHM CN1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001091543732 818006864 /nfs/dbraw/zinc/00/68/64/818006864.db2.gz OEFKTVIFDNBOOA-WQGACYEGSA-N -1 3 334.424 -0.115 20 0 EBADHM CC(C)[C@@H](O)C(=O)N1C[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@]2(C)C1 ZINC001091642749 818022417 /nfs/dbraw/zinc/02/24/17/818022417.db2.gz ADBXQGZHRGICHB-KFNAQCHYSA-N -1 3 337.424 -0.594 20 0 EBADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC001281130939 818045455 /nfs/dbraw/zinc/04/54/55/818045455.db2.gz VLWHFCIKXFRRQE-ZYHUDNBSSA-N -1 3 349.391 -0.596 20 0 EBADHM Cc1nc(C)c(CC(=O)NCCNc2nccn3nnnc23)c(=O)[n-]1 ZINC001093650462 818073941 /nfs/dbraw/zinc/07/39/41/818073941.db2.gz RLAARMCFKMBDDY-UHFFFAOYSA-N -1 3 343.351 -0.597 20 0 EBADHM CNC(=O)CC(=O)N1CCC[C@H](NC(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001281216574 818078183 /nfs/dbraw/zinc/07/81/83/818078183.db2.gz SQIBMBNQODHTBD-ONGXEEELSA-N -1 3 335.364 -0.572 20 0 EBADHM C[C@@H](C(=O)N1C[C@@H](CNCc2n[nH]c(=O)[n-]2)[C@H](C)C1)n1cncn1 ZINC001093725226 818088797 /nfs/dbraw/zinc/08/87/97/818088797.db2.gz CXNJIHFKMUCUQJ-OUAUKWLOSA-N -1 3 334.384 -0.453 20 0 EBADHM C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001093767996 818098819 /nfs/dbraw/zinc/09/88/19/818098819.db2.gz ILVSWLWVXAQTNT-UTUOFQBUSA-N -1 3 339.396 -0.500 20 0 EBADHM Cn1nnc2c1ncnc2NCCNC(=O)c1cccc2n[n-]nc21 ZINC001093897095 818122127 /nfs/dbraw/zinc/12/21/27/818122127.db2.gz LOWJTIOGTSJRHN-UHFFFAOYSA-N -1 3 338.335 -0.129 20 0 EBADHM O=C(NCc1cn(C2CN(Cc3cscn3)C2)nn1)c1cn[n-]n1 ZINC001094302798 818223171 /nfs/dbraw/zinc/22/31/71/818223171.db2.gz YRUSFMOZICRZDO-UHFFFAOYSA-N -1 3 345.392 -0.160 20 0 EBADHM COC(=O)c1cnc(NCCCNC(=O)c2cnc[n-]c2=O)nc1 ZINC001094643061 818310991 /nfs/dbraw/zinc/31/09/91/818310991.db2.gz OSVOHLUXXVTINI-UHFFFAOYSA-N -1 3 332.320 -0.009 20 0 EBADHM CC(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCNC2=O)n1 ZINC001282233944 818379184 /nfs/dbraw/zinc/37/91/84/818379184.db2.gz NAXFXVFYALKGCV-SNVBAGLBSA-N -1 3 335.364 -0.793 20 0 EBADHM Cn1nnc(CN[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cnc[n-]c2=O)C3)n1 ZINC001094944047 818541253 /nfs/dbraw/zinc/54/12/53/818541253.db2.gz SLTUMESMCMDENB-AXFHLTTASA-N -1 3 344.379 -0.511 20 0 EBADHM CC(=O)N1CCC(C(=O)NCCNC(=O)c2c(C)nc[n-]c2=O)CC1 ZINC001283006510 818577386 /nfs/dbraw/zinc/57/73/86/818577386.db2.gz OGMGQUYWQAJZSY-UHFFFAOYSA-N -1 3 349.391 -0.405 20 0 EBADHM CC(=O)N1CCC[C@@H]1C(=O)NCCNC(=O)c1c(C)nc[n-]c1=O ZINC001283077003 818632011 /nfs/dbraw/zinc/63/20/11/818632011.db2.gz SGTSQYIPINSCRN-LLVKDONJSA-N -1 3 335.364 -0.652 20 0 EBADHM C[C@@H](c1nnnn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001095594270 818654567 /nfs/dbraw/zinc/65/45/67/818654567.db2.gz NXMMFBHZYFMYNU-QCMRWSPLSA-N -1 3 344.379 -0.198 20 0 EBADHM C[C@H](CCCNCc1n[nH]c(=O)[n-]1)NC(=O)c1cn2c(n1)COCC2 ZINC001283193154 818692929 /nfs/dbraw/zinc/69/29/29/818692929.db2.gz ZCEHILMRUULQPH-SNVBAGLBSA-N -1 3 349.395 -0.075 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)NCCCNC(=O)c1ccc(=O)n(C)c1 ZINC001283295628 818746810 /nfs/dbraw/zinc/74/68/10/818746810.db2.gz SKENIGKHOYUMLN-UHFFFAOYSA-N -1 3 345.359 -0.261 20 0 EBADHM COC[C@H](OC)C(=O)NCCCNC(=O)c1c(C)nc[n-]c1=O ZINC001283314931 818755832 /nfs/dbraw/zinc/75/58/32/818755832.db2.gz RFSAQOVOAYLOIF-JTQLQIEISA-N -1 3 326.353 -0.612 20 0 EBADHM Cc1cc(N2CCN(CCNC(=O)c3cnc[n-]c3=O)CC2)ncn1 ZINC001096290380 818785231 /nfs/dbraw/zinc/78/52/31/818785231.db2.gz GJMFJXYYPHWVJC-UHFFFAOYSA-N -1 3 343.391 -0.167 20 0 EBADHM O=C(NC[C@@H](Nc1nccn2nnnc12)C1CC1)c1cnc[n-]c1=O ZINC001096745322 818879526 /nfs/dbraw/zinc/87/95/26/818879526.db2.gz OHAHGIOBRPRGTH-SNVBAGLBSA-N -1 3 341.335 -0.365 20 0 EBADHM CCN(CCCNC(=O)Cc1nnc(C)[nH]1)C(=O)c1cnc[n-]c1=O ZINC001283717960 818916155 /nfs/dbraw/zinc/91/61/55/818916155.db2.gz FXOHLPFVMJRBBC-UHFFFAOYSA-N -1 3 347.379 -0.180 20 0 EBADHM O=C(CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2)NC1CC1 ZINC001097299188 818971900 /nfs/dbraw/zinc/97/19/00/818971900.db2.gz FZKWLNQPTQZCMO-RTXFEEFZSA-N -1 3 331.376 -0.204 20 0 EBADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H](CNC(=O)C(N)=O)C2)c(=O)[n-]1 ZINC001284120966 819101924 /nfs/dbraw/zinc/10/19/24/819101924.db2.gz BBRMDQANKRUULS-NSHDSACASA-N -1 3 349.391 -0.818 20 0 EBADHM O=C(c1ncccc1[O-])N1CC[C@H](n2cc(CNCCCO)nn2)C1 ZINC001098658387 819300941 /nfs/dbraw/zinc/30/09/41/819300941.db2.gz FVZJCIRTPUEGAG-ZDUSSCGKSA-N -1 3 346.391 -0.062 20 0 EBADHM O=C(c1ncccc1[O-])N1CC[C@@H](n2cc(CNCCCO)nn2)C1 ZINC001098658386 819301429 /nfs/dbraw/zinc/30/14/29/819301429.db2.gz FVZJCIRTPUEGAG-CYBMUJFWSA-N -1 3 346.391 -0.062 20 0 EBADHM CCNC(=O)CC(=O)NC[C@@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC001284800831 819356689 /nfs/dbraw/zinc/35/66/89/819356689.db2.gz JTKDCYHONKRQMU-GFCCVEGCSA-N -1 3 344.375 -0.082 20 0 EBADHM Cn1nnc(CN2C[C@@H]3CCC[C@]3(NC(=O)c3cnc[n-]c3=O)C2)n1 ZINC001098893433 819385641 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325.354 -0.935 20 0 EBADHM CC[C@H](NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(=O)NC ZINC001570925340 948667610 /nfs/dbraw/zinc/66/76/10/948667610.db2.gz HCTIFYASADYOJF-VIFPVBQESA-N -1 3 325.354 -0.935 20 0 EBADHM O=C1NC[C@H](O)CC12CCN(c1ncncc1-c1nnn[n-]1)CC2 ZINC001570927749 948718054 /nfs/dbraw/zinc/71/80/54/948718054.db2.gz KOJHXFGURSQDIA-SECBINFHSA-N -1 3 330.352 -0.876 20 0 EBADHM NC(=O)NC1(C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001570927820 948719371 /nfs/dbraw/zinc/71/93/71/948719371.db2.gz RQWLYULUVBIIPB-LLVKDONJSA-N -1 3 327.348 -0.349 20 0 EBADHM NC(=O)NC1(C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001570927820 948719377 /nfs/dbraw/zinc/71/93/77/948719377.db2.gz RQWLYULUVBIIPB-LLVKDONJSA-N -1 3 327.348 -0.349 20 0 EBADHM COc1ncc(NC(=O)NCCn2ncnn2)cc1-c1nnn[n-]1 ZINC001570928816 948742045 /nfs/dbraw/zinc/74/20/45/948742045.db2.gz CZINVDXUWZURDS-UHFFFAOYSA-N -1 3 331.300 -0.922 20 0 EBADHM C[C@@H](C(N)=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573754580 948744788 /nfs/dbraw/zinc/74/47/88/948744788.db2.gz IFHQNMKMRYAFPU-WPRPVWTQSA-N -1 3 332.368 -0.737 20 0 EBADHM C[C@@H](C(N)=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573754580 948744798 /nfs/dbraw/zinc/74/47/98/948744798.db2.gz IFHQNMKMRYAFPU-WPRPVWTQSA-N -1 3 332.368 -0.737 20 0 EBADHM C[C@H](C(N)=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573754730 948746159 /nfs/dbraw/zinc/74/61/59/948746159.db2.gz JKSJBQSERCOOSI-SCZZXKLOSA-N -1 3 332.368 -0.785 20 0 EBADHM C[C@H](C(N)=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573754730 948746172 /nfs/dbraw/zinc/74/61/72/948746172.db2.gz JKSJBQSERCOOSI-SCZZXKLOSA-N -1 3 332.368 -0.785 20 0 EBADHM C[C@H](C(N)=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573754958 948754121 /nfs/dbraw/zinc/75/41/21/948754121.db2.gz MCJQPYJVWBBNKV-BDAKNGLRSA-N -1 3 332.368 -0.785 20 0 EBADHM C[C@H](C(N)=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573754958 948754133 /nfs/dbraw/zinc/75/41/33/948754133.db2.gz MCJQPYJVWBBNKV-BDAKNGLRSA-N -1 3 332.368 -0.785 20 0 EBADHM C[C@H](C(N)=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573755244 948756614 /nfs/dbraw/zinc/75/66/14/948756614.db2.gz NCHVZAABGWSZEM-LDYMZIIASA-N -1 3 346.395 -0.491 20 0 EBADHM C[C@H](C(N)=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573755443 948768285 /nfs/dbraw/zinc/76/82/85/948768285.db2.gz PMVSVXXGPGJXIR-BDAKNGLRSA-N -1 3 332.368 -0.737 20 0 EBADHM C[C@H](C(N)=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573755443 948768304 /nfs/dbraw/zinc/76/83/04/948768304.db2.gz PMVSVXXGPGJXIR-BDAKNGLRSA-N -1 3 332.368 -0.737 20 0 EBADHM Cc1onc(CC(=O)N[C@H](CO)c2cncn2C)c1-c1nnn[n-]1 ZINC001570929500 948772719 /nfs/dbraw/zinc/77/27/19/948772719.db2.gz UWOQVDYDPRTRLM-SECBINFHSA-N -1 3 332.324 -0.711 20 0 EBADHM Cc1onc(CC(=O)N[C@@H](CO)c2cncn2C)c1-c1nnn[n-]1 ZINC001570929501 948772969 /nfs/dbraw/zinc/77/29/69/948772969.db2.gz UWOQVDYDPRTRLM-VIFPVBQESA-N -1 3 332.324 -0.711 20 0 EBADHM C[C@H](C(N)=O)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573756039 948792683 /nfs/dbraw/zinc/79/26/83/948792683.db2.gz WGRCNXHEZUAKKP-MRVPVSSYSA-N -1 3 332.368 -0.737 20 0 EBADHM C[C@H](C(N)=O)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573756039 948792689 /nfs/dbraw/zinc/79/26/89/948792689.db2.gz WGRCNXHEZUAKKP-MRVPVSSYSA-N -1 3 332.368 -0.737 20 0 EBADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001574081390 948826565 /nfs/dbraw/zinc/82/65/65/948826565.db2.gz SMKKDZWKXQCVLB-NTZNESFSSA-N -1 3 349.370 -0.079 20 0 EBADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001574081390 948826581 /nfs/dbraw/zinc/82/65/81/948826581.db2.gz SMKKDZWKXQCVLB-NTZNESFSSA-N -1 3 349.370 -0.079 20 0 EBADHM CNC(=O)[C@H](C)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001570931389 948842544 /nfs/dbraw/zinc/84/25/44/948842544.db2.gz WHZPVVCLKASIOG-QMMMGPOBSA-N -1 3 332.368 -0.915 20 0 EBADHM CNC(=O)[C@H](C)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001570931389 948842559 /nfs/dbraw/zinc/84/25/59/948842559.db2.gz WHZPVVCLKASIOG-QMMMGPOBSA-N -1 3 332.368 -0.915 20 0 EBADHM C[C@@H](C(N)=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001570931434 948843721 /nfs/dbraw/zinc/84/37/21/948843721.db2.gz XZQPAFKVSHMTDX-WCBMZHEXSA-N -1 3 332.368 -0.737 20 0 EBADHM CC(C)(C(=O)N1CC(O)(C(N)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573762039 948851657 /nfs/dbraw/zinc/85/16/57/948851657.db2.gz QAWQIIVMTPOZLE-UHFFFAOYSA-N -1 3 330.348 -0.797 20 0 EBADHM CC(C)(C(=O)N1CC(O)(C(N)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573762039 948851673 /nfs/dbraw/zinc/85/16/73/948851673.db2.gz QAWQIIVMTPOZLE-UHFFFAOYSA-N -1 3 330.348 -0.797 20 0 EBADHM COc1ncc(NC(=O)N2CC[C@@H](O)[C@@H](O)C2)cc1-c1nnn[n-]1 ZINC001570933189 948876606 /nfs/dbraw/zinc/87/66/06/948876606.db2.gz IDRYPSXDZDZQEX-ZJUUUORDSA-N -1 3 335.324 -0.770 20 0 EBADHM Cc1nn(C)cc1S(=O)(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001570933393 948889564 /nfs/dbraw/zinc/88/95/64/948889564.db2.gz AWHNTUOMFWUUAC-UHFFFAOYSA-N 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339.377 -0.851 20 0 EBADHM O=C(Cn1cncn1)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001570937580 949078803 /nfs/dbraw/zinc/07/88/03/949078803.db2.gz GOYXMOLIQDSLNU-JTQLQIEISA-N -1 3 340.351 -0.752 20 0 EBADHM O=C(Cn1cncn1)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001570937580 949078823 /nfs/dbraw/zinc/07/88/23/949078823.db2.gz GOYXMOLIQDSLNU-JTQLQIEISA-N -1 3 340.351 -0.752 20 0 EBADHM C[C@H](NC(=O)C(N)=O)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001575249011 949083912 /nfs/dbraw/zinc/08/39/12/949083912.db2.gz AJTVYRIVYJWAJX-QMMMGPOBSA-N -1 3 347.354 -0.572 20 0 EBADHM C[C@H](CNC(=O)CS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574934852 949179499 /nfs/dbraw/zinc/17/94/99/949179499.db2.gz SNEVGBHRWWRYPW-MRVPVSSYSA-N -1 3 339.381 -0.777 20 0 EBADHM C[C@H](CNC(=O)CS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574934852 949179515 /nfs/dbraw/zinc/17/95/15/949179515.db2.gz SNEVGBHRWWRYPW-MRVPVSSYSA-N -1 3 339.381 -0.777 20 0 EBADHM Cn1nnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001570940535 949182940 /nfs/dbraw/zinc/18/29/40/949182940.db2.gz NCECSLQQFYJOEV-KYZUINATSA-N -1 3 341.339 -0.842 20 0 EBADHM Cn1nnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001570940535 949182953 /nfs/dbraw/zinc/18/29/53/949182953.db2.gz NCECSLQQFYJOEV-KYZUINATSA-N -1 3 341.339 -0.842 20 0 EBADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001570941554 949231798 /nfs/dbraw/zinc/23/17/98/949231798.db2.gz WOTMZLRWTGMKND-QMMMGPOBSA-N -1 3 341.339 -0.590 20 0 EBADHM C[C@H](CNC(=O)Cc1ccon1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574941184 949296837 /nfs/dbraw/zinc/29/68/37/949296837.db2.gz BMAKOTWCKIECIP-MRVPVSSYSA-N -1 3 344.335 -0.340 20 0 EBADHM C[C@H](CNC(=O)Cc1ccon1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574941184 949296868 /nfs/dbraw/zinc/29/68/68/949296868.db2.gz BMAKOTWCKIECIP-MRVPVSSYSA-N -1 3 344.335 -0.340 20 0 EBADHM C[C@@H](CNC(=O)Cc1c[nH]cn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574941380 949302491 /nfs/dbraw/zinc/30/24/91/949302491.db2.gz CTJPHLPNQKHJBW-SECBINFHSA-N -1 3 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IJBYBKDQETUSSO-SFYZADRCSA-N -1 3 345.371 -0.813 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn[nH]c1 ZINC001574977508 950117443 /nfs/dbraw/zinc/11/74/43/950117443.db2.gz KMGHUULYYDYDMC-SSDOTTSWSA-N -1 3 329.324 -0.534 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn[nH]c1 ZINC001574977508 950117454 /nfs/dbraw/zinc/11/74/54/950117454.db2.gz KMGHUULYYDYDMC-SSDOTTSWSA-N -1 3 329.324 -0.534 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccnnc1 ZINC001574977557 950121431 /nfs/dbraw/zinc/12/14/31/950121431.db2.gz LEKIEESLSVPJHO-MRVPVSSYSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccnnc1 ZINC001574977557 950121439 /nfs/dbraw/zinc/12/14/39/950121439.db2.gz LEKIEESLSVPJHO-MRVPVSSYSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cccnn1 ZINC001574978126 950132928 /nfs/dbraw/zinc/13/29/28/950132928.db2.gz QXZZYGLOSGWQRX-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cccnn1 ZINC001574978126 950132942 /nfs/dbraw/zinc/13/29/42/950132942.db2.gz QXZZYGLOSGWQRX-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cccnn1 ZINC001574978124 950134984 /nfs/dbraw/zinc/13/49/84/950134984.db2.gz QXZZYGLOSGWQRX-MRVPVSSYSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cccnn1 ZINC001574978124 950134993 /nfs/dbraw/zinc/13/49/93/950134993.db2.gz QXZZYGLOSGWQRX-MRVPVSSYSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1cnon1 ZINC001574738326 950169684 /nfs/dbraw/zinc/16/96/84/950169684.db2.gz DWVDTEXUVWESJQ-QMMMGPOBSA-N -1 3 331.340 -0.172 20 0 EBADHM C[C@@H](CN(C)C(=O)c1cn[nH]n1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574741424 950245529 /nfs/dbraw/zinc/24/55/29/950245529.db2.gz BCOAHFFCAIXZEO-QMMMGPOBSA-N -1 3 328.340 -0.048 20 0 EBADHM C[C@@H](CN(C)C(=O)c1cn[nH]n1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574741424 950245546 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CC(C)(C)OCC(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573871732 950624556 /nfs/dbraw/zinc/62/45/56/950624556.db2.gz UVPPYEHBZVILDU-JTQLQIEISA-N -1 3 349.395 -0.034 20 0 EBADHM CC(C)(C)OCC(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573871732 950624567 /nfs/dbraw/zinc/62/45/67/950624567.db2.gz UVPPYEHBZVILDU-JTQLQIEISA-N -1 3 349.395 -0.034 20 0 EBADHM C[C@@H](CNC(=O)c1ccn[nH]1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575005713 950698280 /nfs/dbraw/zinc/69/82/80/950698280.db2.gz LLEIBEFPLGSKLQ-QMMMGPOBSA-N -1 3 343.351 -0.192 20 0 EBADHM CC(C)CCC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574179545 950703124 /nfs/dbraw/zinc/70/31/24/950703124.db2.gz DOFBZWSHDXPBLE-LLVKDONJSA-N -1 3 349.395 -0.162 20 0 EBADHM CC(C)CCC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574179545 950703142 /nfs/dbraw/zinc/70/31/42/950703142.db2.gz DOFBZWSHDXPBLE-LLVKDONJSA-N -1 3 349.395 -0.162 20 0 EBADHM C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001576217779 950768324 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343.351 -0.192 20 0 EBADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CC(N)=O ZINC001575935054 950870369 /nfs/dbraw/zinc/87/03/69/950870369.db2.gz URZAJUWUHIOAKS-OIBJUYFYSA-N -1 3 348.342 -0.323 20 0 EBADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CC(N)=O ZINC001575935054 950870381 /nfs/dbraw/zinc/87/03/81/950870381.db2.gz URZAJUWUHIOAKS-OIBJUYFYSA-N -1 3 348.342 -0.323 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCCO1 ZINC001575014942 950912918 /nfs/dbraw/zinc/91/29/18/950912918.db2.gz JYQSCPPDNJOABZ-NXEZZACHSA-N -1 3 347.379 -0.002 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCCO1 ZINC001575014942 950912932 /nfs/dbraw/zinc/91/29/32/950912932.db2.gz JYQSCPPDNJOABZ-NXEZZACHSA-N -1 3 347.379 -0.002 20 0 EBADHM CCOC(=O)COCCN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001590648306 950961252 /nfs/dbraw/zinc/96/12/52/950961252.db2.gz GBDXXQKHAMQFJN-LBPRGKRZSA-N -1 3 342.392 -0.036 20 0 EBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnnc1 ZINC001575016972 950969538 /nfs/dbraw/zinc/96/95/38/950969538.db2.gz DTCAFGFYQGOWBL-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnnc1 ZINC001575016972 950969559 /nfs/dbraw/zinc/96/95/59/950969559.db2.gz DTCAFGFYQGOWBL-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575042139 951354378 /nfs/dbraw/zinc/35/43/78/951354378.db2.gz GERKDOCJSABVSW-MRVPVSSYSA-N -1 3 343.351 -0.069 20 0 EBADHM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575042139 951354390 /nfs/dbraw/zinc/35/43/90/951354390.db2.gz GERKDOCJSABVSW-MRVPVSSYSA-N -1 3 343.351 -0.069 20 0 EBADHM C[C@@H](CNC(=O)c1cn(C)nn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575043783 951402856 /nfs/dbraw/zinc/40/28/56/951402856.db2.gz VAKKKFUGEAKDOJ-ZETCQYMHSA-N -1 3 346.330 -0.240 20 0 EBADHM C[C@@H](CNC(=O)c1cn(C)nn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575043783 951402864 /nfs/dbraw/zinc/40/28/64/951402864.db2.gz VAKKKFUGEAKDOJ-ZETCQYMHSA-N -1 3 346.330 -0.240 20 0 EBADHM C[C@H](CNC(=O)c1cncnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575046801 951447902 /nfs/dbraw/zinc/44/79/02/951447902.db2.gz STXKBAVFYYMLDG-MRVPVSSYSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@H](CNC(=O)c1cncnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575046801 951447910 /nfs/dbraw/zinc/44/79/10/951447910.db2.gz STXKBAVFYYMLDG-MRVPVSSYSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@@H](CNC(=O)c1cnsn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575054755 951497320 /nfs/dbraw/zinc/49/73/20/951497320.db2.gz KMSRGKJOPPYEKQ-LURJTMIESA-N -1 3 347.364 -0.405 20 0 EBADHM C[C@@H](CNC(=O)c1cnsn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575054755 951497326 /nfs/dbraw/zinc/49/73/26/951497326.db2.gz KMSRGKJOPPYEKQ-LURJTMIESA-N -1 3 347.364 -0.405 20 0 EBADHM C[C@H](CNC(=O)c1cnnn1C)Nc1ncccc1-c1nnn[n-]1 ZINC001575055293 951501872 /nfs/dbraw/zinc/50/18/72/951501872.db2.gz PTOUKJBGPPCNTD-MRVPVSSYSA-N -1 3 328.340 -0.379 20 0 EBADHM 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EBADHM COC[C@H](CCO)NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826149707 583883933 /nfs/dbraw/zinc/88/39/33/583883933.db2.gz NEMANWPDZPWRDW-JTQLQIEISA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@H](CCO)NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826149707 583883934 /nfs/dbraw/zinc/88/39/34/583883934.db2.gz NEMANWPDZPWRDW-JTQLQIEISA-N -1 3 341.393 -0.149 20 0 EBADHM COC[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000826150384 583884155 /nfs/dbraw/zinc/88/41/55/583884155.db2.gz CTZSOJIOKFWNFG-GHMZBOCLSA-N -1 3 335.320 -0.796 20 0 EBADHM COC[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000826150384 583884156 /nfs/dbraw/zinc/88/41/56/583884156.db2.gz CTZSOJIOKFWNFG-GHMZBOCLSA-N -1 3 335.320 -0.796 20 0 EBADHM COC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826150196 583884239 /nfs/dbraw/zinc/88/42/39/583884239.db2.gz YQRPFHHFRAHVIO-WCBMZHEXSA-N -1 3 334.336 -0.750 20 0 EBADHM COC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826150196 583884241 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COCCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1=O ZINC000826159830 583885869 /nfs/dbraw/zinc/88/58/69/583885869.db2.gz UFWVTNHWZDDXKK-UHFFFAOYSA-N -1 3 331.336 -0.808 20 0 EBADHM COCCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1=O ZINC000826159830 583885870 /nfs/dbraw/zinc/88/58/70/583885870.db2.gz UFWVTNHWZDDXKK-UHFFFAOYSA-N -1 3 331.336 -0.808 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCn1ccnn1 ZINC000826174862 583886589 /nfs/dbraw/zinc/88/65/89/583886589.db2.gz LNFTWMQDVUGWTA-UHFFFAOYSA-N -1 3 344.335 -0.338 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCn1ccnn1 ZINC000826174862 583886592 /nfs/dbraw/zinc/88/65/92/583886592.db2.gz LNFTWMQDVUGWTA-UHFFFAOYSA-N -1 3 344.335 -0.338 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NN1CCCC1=O ZINC000826174724 583886598 /nfs/dbraw/zinc/88/65/98/583886598.db2.gz HGYWVEOBOIELOY-UHFFFAOYSA-N -1 3 332.320 -0.092 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NN1CCCC1=O ZINC000826174724 583886601 /nfs/dbraw/zinc/88/66/01/583886601.db2.gz HGYWVEOBOIELOY-UHFFFAOYSA-N -1 3 332.320 -0.092 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1Cn1nnc2c(cnn2C)c1=O ZINC000826174002 583886700 /nfs/dbraw/zinc/88/67/00/583886700.db2.gz FGQPUELXMNVPEA-UHFFFAOYSA-N -1 3 339.319 -0.238 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1Cn1nnc2c(cnn2C)c1=O ZINC000826174002 583886703 /nfs/dbraw/zinc/88/67/03/583886703.db2.gz FGQPUELXMNVPEA-UHFFFAOYSA-N -1 3 339.319 -0.238 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCc1cn(C)nn1 ZINC000826175306 583886752 /nfs/dbraw/zinc/88/67/52/583886752.db2.gz ZXOASIDIBJDWOO-UHFFFAOYSA-N -1 3 344.335 -0.301 20 0 EBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCc1cn(C)nn1 ZINC000826175306 583886753 /nfs/dbraw/zinc/88/67/53/583886753.db2.gz ZXOASIDIBJDWOO-UHFFFAOYSA-N -1 3 344.335 -0.301 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000826169754 583886849 /nfs/dbraw/zinc/88/68/49/583886849.db2.gz CTBYRINLEXDHMH-LLVKDONJSA-N -1 3 343.347 -0.389 20 0 EBADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1C[C@H](O)C[C@H]1CO ZINC000826175951 583887385 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C[S@@](=O)CCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826224336 583888547 /nfs/dbraw/zinc/88/85/47/583888547.db2.gz AKWJIHPWFLGBFF-HXUWFJFHSA-N -1 3 329.407 -0.086 20 0 EBADHM C[S@@](=O)CCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826224336 583888549 /nfs/dbraw/zinc/88/85/49/583888549.db2.gz AKWJIHPWFLGBFF-HXUWFJFHSA-N -1 3 329.407 -0.086 20 0 EBADHM CS(=O)(=O)c1ncn(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826225226 583889090 /nfs/dbraw/zinc/88/90/90/583889090.db2.gz WRVAKELQXFKDRT-SNVBAGLBSA-N -1 3 335.349 -0.405 20 0 EBADHM CS(=O)(=O)c1ncn(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826225226 583889092 /nfs/dbraw/zinc/88/90/92/583889092.db2.gz WRVAKELQXFKDRT-SNVBAGLBSA-N -1 3 335.349 -0.405 20 0 EBADHM Cc1c(Cl)cnc(N2CCN(C(=O)CO)CC2)c1-c1nnn[n-]1 ZINC000826238212 583889519 /nfs/dbraw/zinc/88/95/19/583889519.db2.gz ZRDGMPHIDKJFTD-UHFFFAOYSA-N -1 3 337.771 -0.136 20 0 EBADHM Cc1c(Cl)cnc(N2CCN(C(=O)CO)CC2)c1-c1nn[n-]n1 ZINC000826238212 583889521 /nfs/dbraw/zinc/88/95/21/583889521.db2.gz 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Cc1cccc2nc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)[nH]c21 ZINC000826304556 583891129 /nfs/dbraw/zinc/89/11/29/583891129.db2.gz PLPMIVDNUHWHDA-UHFFFAOYSA-N -1 3 338.335 -0.041 20 0 EBADHM Cc1nc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)no1 ZINC000826323943 583891227 /nfs/dbraw/zinc/89/12/27/583891227.db2.gz YNYRSYZOLJBDQF-UHFFFAOYSA-N -1 3 341.335 -0.084 20 0 EBADHM Cc1nc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)no1 ZINC000826323943 583891230 /nfs/dbraw/zinc/89/12/30/583891230.db2.gz YNYRSYZOLJBDQF-UHFFFAOYSA-N -1 3 341.335 -0.084 20 0 EBADHM Cc1ccnc(N(C)C[C@@H](O)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826309242 583891278 /nfs/dbraw/zinc/89/12/78/583891278.db2.gz IWVKWHZADQYKIN-GFCCVEGCSA-N -1 3 333.396 -0.301 20 0 EBADHM Cc1ccnc(N(C)C[C@@H](O)CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826309242 583891280 /nfs/dbraw/zinc/89/12/80/583891280.db2.gz IWVKWHZADQYKIN-GFCCVEGCSA-N -1 3 333.396 -0.301 20 0 EBADHM Cc1nc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)no1 ZINC000826323379 583891389 /nfs/dbraw/zinc/89/13/89/583891389.db2.gz 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335.368 -0.505 20 0 EBADHM Cc1onc(CC(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1-c1nnn[n-]1 ZINC000826345394 583892461 /nfs/dbraw/zinc/89/24/61/583892461.db2.gz KIPBVXCSSANGSP-LDYMZIIASA-N -1 3 335.368 -0.459 20 0 EBADHM Cc1onc(CC(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1-c1nn[n-]n1 ZINC000826345394 583892463 /nfs/dbraw/zinc/89/24/63/583892463.db2.gz KIPBVXCSSANGSP-LDYMZIIASA-N -1 3 335.368 -0.459 20 0 EBADHM Cc1onc(CC(=O)N2CCN([C@@H]3CCOC3)CC2)c1-c1nnn[n-]1 ZINC000826344940 583892686 /nfs/dbraw/zinc/89/26/86/583892686.db2.gz XHRKGQWPZZFNLF-LLVKDONJSA-N -1 3 347.379 -0.361 20 0 EBADHM Cn1cc(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC000826361485 583894395 /nfs/dbraw/zinc/89/43/95/583894395.db2.gz YYDLXFRJJXUFLN-UHFFFAOYSA-N -1 3 326.368 -0.288 20 0 EBADHM Cn1cc(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC000826361485 583894397 /nfs/dbraw/zinc/89/43/97/583894397.db2.gz YYDLXFRJJXUFLN-UHFFFAOYSA-N -1 3 326.368 -0.288 20 0 EBADHM Cn1cc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)nn1 ZINC000826361671 583894496 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804638571 /nfs/dbraw/zinc/63/85/71/804638571.db2.gz INUNSJQUINZGGT-RTCCRHLQSA-N -1 3 344.375 -0.683 20 0 EBADHM CN(C[C@@H]1CCN1C(=O)c1cnc[n-]c1=O)C(=O)c1c[nH]c(=O)n1C ZINC000978147855 804693142 /nfs/dbraw/zinc/69/31/42/804693142.db2.gz ONKXPLDEGCBHSF-VIFPVBQESA-N -1 3 346.347 -0.392 20 0 EBADHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1nnc[nH]1 ZINC000978242812 804748519 /nfs/dbraw/zinc/74/85/19/804748519.db2.gz WPODKMBIMDVBRY-JTQLQIEISA-N -1 3 345.363 -0.476 20 0 EBADHM CN(C[C@H]1CCN1C(=O)c1cnc[n-]c1=O)C(=O)c1ccncn1 ZINC000978246226 804749559 /nfs/dbraw/zinc/74/95/59/804749559.db2.gz FHIXLRSEAULNAY-SNVBAGLBSA-N -1 3 328.332 -0.041 20 0 EBADHM Cc1nnc(CN2C[C@@H]3[C@@H](CNC(=O)c4cnc[n-]c4=O)[C@@H]3C2)o1 ZINC000978304699 804782293 /nfs/dbraw/zinc/78/22/93/804782293.db2.gz AUVCHLJQVODOCF-WLLOZRIZSA-N -1 3 330.348 -0.019 20 0 EBADHM Cn1[n-]c(CN2C[C@@H]3[C@@H](CNC(=O)c4ccsn4)[C@@H]3C2)nc1=O ZINC000978328731 804795168 /nfs/dbraw/zinc/79/51/68/804795168.db2.gz YQEDZFSZUBTXQF-OWUUHHOZSA-N -1 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EBADHM C=C=CCNC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001573301382 947137614 /nfs/dbraw/zinc/13/76/14/947137614.db2.gz ZQYJFOZHQNTIHY-UHFFFAOYSA-N -1 3 334.361 -0.398 20 0 EBADHM C=C=CCNC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001573301382 947137616 /nfs/dbraw/zinc/13/76/16/947137616.db2.gz ZQYJFOZHQNTIHY-UHFFFAOYSA-N -1 3 334.361 -0.398 20 0 EBADHM CC(=O)N(C)CC(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001573391985 947939946 /nfs/dbraw/zinc/93/99/46/947939946.db2.gz NUDYHWWIXXBHDM-UHFFFAOYSA-N -1 3 335.393 -0.127 20 0 EBADHM CC(=O)N(C)CC(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001573391985 947939951 /nfs/dbraw/zinc/93/99/51/947939951.db2.gz NUDYHWWIXXBHDM-UHFFFAOYSA-N -1 3 335.393 -0.127 20 0 EBADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573653285 947955658 /nfs/dbraw/zinc/95/56/58/947955658.db2.gz KILAJGALYNAXIM-WPRPVWTQSA-N -1 3 347.379 -0.552 20 0 EBADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573653285 947955660 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CC(=O)N(C)CC(=O)NC[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001573404543 948027178 /nfs/dbraw/zinc/02/71/78/948027178.db2.gz UMADQOWBPQQSIV-JTQLQIEISA-N -1 3 346.395 -0.096 20 0 EBADHM CC(=O)N(C)CC(=O)NCCN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573405939 948048491 /nfs/dbraw/zinc/04/84/91/948048491.db2.gz YXUKOYDGLMGCSS-UHFFFAOYSA-N -1 3 346.395 -0.399 20 0 EBADHM CC(=O)N(C)CC(=O)NCCN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573405939 948048495 /nfs/dbraw/zinc/04/84/95/948048495.db2.gz YXUKOYDGLMGCSS-UHFFFAOYSA-N -1 3 346.395 -0.399 20 0 EBADHM CC(=O)N(C)C[C@H](O)CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573408194 948063748 /nfs/dbraw/zinc/06/37/48/948063748.db2.gz DEBYAYMYKHQIGZ-VIFPVBQESA-N -1 3 325.398 -0.093 20 0 EBADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573409410 948075565 /nfs/dbraw/zinc/07/55/65/948075565.db2.gz RIFXUUJDMAAGAL-XYPYZODXSA-N -1 3 344.379 -0.201 20 0 EBADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573409410 948075580 /nfs/dbraw/zinc/07/55/80/948075580.db2.gz RIFXUUJDMAAGAL-XYPYZODXSA-N -1 3 344.379 -0.201 20 0 EBADHM CC(=O)N1CC(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573421060 948136440 /nfs/dbraw/zinc/13/64/40/948136440.db2.gz BUABGOSOMTVQJD-UHFFFAOYSA-N -1 3 344.379 -0.708 20 0 EBADHM CC(=O)N1CC(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573421060 948136444 /nfs/dbraw/zinc/13/64/44/948136444.db2.gz BUABGOSOMTVQJD-UHFFFAOYSA-N -1 3 344.379 -0.708 20 0 EBADHM CC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nnn[n-]3)c1)O2 ZINC001573426930 948160056 /nfs/dbraw/zinc/16/00/56/948160056.db2.gz RFBLXVNNOFRVBV-LLVKDONJSA-N -1 3 345.363 -0.296 20 0 EBADHM CC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001573426930 948160060 /nfs/dbraw/zinc/16/00/60/948160060.db2.gz RFBLXVNNOFRVBV-LLVKDONJSA-N -1 3 345.363 -0.296 20 0 EBADHM CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001573427391 948163751 /nfs/dbraw/zinc/16/37/51/948163751.db2.gz XHEUGTKPXSTZGU-NSHDSACASA-N -1 3 345.363 -0.296 20 0 EBADHM CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001573427391 948163757 /nfs/dbraw/zinc/16/37/57/948163757.db2.gz XHEUGTKPXSTZGU-NSHDSACASA-N -1 3 345.363 -0.296 20 0 EBADHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C[C@H](C)N1CCO ZINC001362851813 948511461 /nfs/dbraw/zinc/51/14/61/948511461.db2.gz LKIXPEVKVGWHEU-PHIMTYICSA-N -1 3 331.380 -0.211 20 0 EBADHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C[C@H](C)N1CCO ZINC001362851813 948511475 /nfs/dbraw/zinc/51/14/75/948511475.db2.gz LKIXPEVKVGWHEU-PHIMTYICSA-N -1 3 331.380 -0.211 20 0 EBADHM O=C(c1ccn[nH]1)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001570925346 948666986 /nfs/dbraw/zinc/66/69/86/948666986.db2.gz HJAJAXIZQOJCKN-MRVPVSSYSA-N -1 3 326.324 -0.872 20 0 EBADHM O=C(c1cc[nH]n1)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001570925346 948666990 /nfs/dbraw/zinc/66/69/90/948666990.db2.gz HJAJAXIZQOJCKN-MRVPVSSYSA-N -1 3 326.324 -0.872 20 0 EBADHM Cc1occc(=O)c1OCC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC001570927591 948714996 /nfs/dbraw/zinc/71/49/96/948714996.db2.gz UDQLDZRXRLOWIG-UHFFFAOYSA-N -1 3 328.288 -0.037 20 0 EBADHM Cc1occc(=O)c1OCC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC001570927591 948714999 /nfs/dbraw/zinc/71/49/99/948714999.db2.gz UDQLDZRXRLOWIG-UHFFFAOYSA-N -1 3 328.288 -0.037 20 0 EBADHM Cc1nsc(N2CC[C@H](CS(N)(=O)=O)C2)c1-c1nnn[n-]1 ZINC001570927739 948717289 /nfs/dbraw/zinc/71/72/89/948717289.db2.gz KFJARITUUHPVGV-ZETCQYMHSA-N -1 3 329.411 -0.254 20 0 EBADHM O=C(NC[C@@H](O)Cn1ccnn1)c1cc(-c2nnn[n-]2)ccc1F ZINC001570927896 948720889 /nfs/dbraw/zinc/72/08/89/948720889.db2.gz BKUOBWFGAJAIBP-SECBINFHSA-N -1 3 332.299 -0.612 20 0 EBADHM O=C(NC[C@@H](O)Cn1ccnn1)c1cc(-c2nn[n-]n2)ccc1F ZINC001570927896 948720895 /nfs/dbraw/zinc/72/08/95/948720895.db2.gz BKUOBWFGAJAIBP-SECBINFHSA-N -1 3 332.299 -0.612 20 0 EBADHM Cc1cc(C(=O)N2CCN3C(=O)N=NC3C2)ncc1-c1nnn[n-]1 ZINC001570928168 948727515 /nfs/dbraw/zinc/72/75/15/948727515.db2.gz UIZGEECKCMOCJO-UHFFFAOYSA-N -1 3 327.308 -0.477 20 0 EBADHM Cc1cc(C(=O)N2CCN3C(=O)N=NC3C2)ncc1-c1nn[n-]n1 ZINC001570928168 948727521 /nfs/dbraw/zinc/72/75/21/948727521.db2.gz UIZGEECKCMOCJO-UHFFFAOYSA-N -1 3 327.308 -0.477 20 0 EBADHM CN(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1COC(=O)N1 ZINC001570928614 948737680 /nfs/dbraw/zinc/73/76/80/948737680.db2.gz IFJJAADTZGHSRO-MNOVXSKESA-N -1 3 332.320 -0.533 20 0 EBADHM CN(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1COC(=O)N1 ZINC001570928614 948737687 /nfs/dbraw/zinc/73/76/87/948737687.db2.gz IFJJAADTZGHSRO-MNOVXSKESA-N -1 3 332.320 -0.533 20 0 EBADHM C[C@H](C(N)=O)N1CCC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573755491 948766516 /nfs/dbraw/zinc/76/65/16/948766516.db2.gz QKEMTLMNNWOMNQ-SECBINFHSA-N -1 3 346.395 -0.395 20 0 EBADHM C[C@@H](C(N)=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573755647 948773528 /nfs/dbraw/zinc/77/35/28/948773528.db2.gz RRJJMVLKBZIDRE-HOTUBEGUSA-N -1 3 344.379 -0.785 20 0 EBADHM C[C@@H](C(N)=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573755647 948773547 /nfs/dbraw/zinc/77/35/47/948773547.db2.gz RRJJMVLKBZIDRE-HOTUBEGUSA-N -1 3 344.379 -0.785 20 0 EBADHM C[C@@H](C(N)=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573755898 948787301 /nfs/dbraw/zinc/78/73/01/948787301.db2.gz UPQXPPGVSKMJAZ-WCBMZHEXSA-N -1 3 332.368 -0.737 20 0 EBADHM C[C@@H](C(N)=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573755898 948787313 /nfs/dbraw/zinc/78/73/13/948787313.db2.gz UPQXPPGVSKMJAZ-WCBMZHEXSA-N -1 3 332.368 -0.737 20 0 EBADHM C[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1CC(N)=O ZINC001570931001 948830249 /nfs/dbraw/zinc/83/02/49/948830249.db2.gz RQBVEYDVKKXNCV-WCBMZHEXSA-N -1 3 332.368 -0.737 20 0 EBADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001574081964 948845922 /nfs/dbraw/zinc/84/59/22/948845922.db2.gz YMGXPWNGJWLQJN-WOPDTQHZSA-N -1 3 349.370 -0.079 20 0 EBADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001574081964 948845938 /nfs/dbraw/zinc/84/59/38/948845938.db2.gz YMGXPWNGJWLQJN-WOPDTQHZSA-N -1 3 349.370 -0.079 20 0 EBADHM CN1C(=O)N=NC1CNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001570933012 948868699 /nfs/dbraw/zinc/86/86/99/948868699.db2.gz AKMQUSNOBNWRRD-UHFFFAOYSA-N -1 3 335.715 -0.321 20 0 EBADHM CN1C(=O)N=NC1CNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001570933012 948868713 /nfs/dbraw/zinc/86/87/13/948868713.db2.gz AKMQUSNOBNWRRD-UHFFFAOYSA-N -1 3 335.715 -0.321 20 0 EBADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1COC[C@H]1O ZINC001570933014 948869417 /nfs/dbraw/zinc/86/94/17/948869417.db2.gz AMEHIPAYESQOJM-VXGBXAGGSA-N -1 3 335.389 -0.024 20 0 EBADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1COC[C@H]1O ZINC001570933014 948869435 /nfs/dbraw/zinc/86/94/35/948869435.db2.gz AMEHIPAYESQOJM-VXGBXAGGSA-N -1 3 335.389 -0.024 20 0 EBADHM Cc1cc(N(C)C[C@@H](O)CN2CCOCC2)ncc1-c1nnn[n-]1 ZINC001570933493 948895192 /nfs/dbraw/zinc/89/51/92/948895192.db2.gz CZEWDBLAJSTMHV-GFCCVEGCSA-N -1 3 333.396 -0.301 20 0 EBADHM Cc1cc(N(C)C[C@@H](O)CN2CCOCC2)ncc1-c1nn[n-]n1 ZINC001570933493 948895201 /nfs/dbraw/zinc/89/52/01/948895201.db2.gz CZEWDBLAJSTMHV-GFCCVEGCSA-N -1 3 333.396 -0.301 20 0 EBADHM C[C@@H](O)CN1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001570934098 948925600 /nfs/dbraw/zinc/92/56/00/948925600.db2.gz XPCNIPLSFDAIAI-NXEZZACHSA-N -1 3 335.368 -0.994 20 0 EBADHM C[C@@H](O)CN1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001570934098 948925615 /nfs/dbraw/zinc/92/56/15/948925615.db2.gz XPCNIPLSFDAIAI-NXEZZACHSA-N -1 3 335.368 -0.994 20 0 EBADHM CCOC(=O)[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001570934342 948936430 /nfs/dbraw/zinc/93/64/30/948936430.db2.gz ZZORZGLSUHLPSI-SNVBAGLBSA-N -1 3 335.320 -0.471 20 0 EBADHM CCOC(=O)[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001570934342 948936446 /nfs/dbraw/zinc/93/64/46/948936446.db2.gz ZZORZGLSUHLPSI-SNVBAGLBSA-N -1 3 335.320 -0.471 20 0 EBADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1COC(=O)N1 ZINC001574688250 948954964 /nfs/dbraw/zinc/95/49/64/948954964.db2.gz SKQYNYLIGARXDU-PSASIEDQSA-N -1 3 346.351 -0.323 20 0 EBADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1COC(=O)N1 ZINC001574688250 948954976 /nfs/dbraw/zinc/95/49/76/948954976.db2.gz SKQYNYLIGARXDU-PSASIEDQSA-N -1 3 346.351 -0.323 20 0 EBADHM COC(=O)C[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001570935041 948965392 /nfs/dbraw/zinc/96/53/92/948965392.db2.gz PABZZMVICCLUOU-VIFPVBQESA-N -1 3 334.336 -0.093 20 0 EBADHM COC(=O)C[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001570935041 948965403 /nfs/dbraw/zinc/96/54/03/948965403.db2.gz PABZZMVICCLUOU-VIFPVBQESA-N -1 3 334.336 -0.093 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)c(NCCN(C)CCS(C)(=O)=O)n1 ZINC001570935313 948975117 /nfs/dbraw/zinc/97/51/17/948975117.db2.gz BYSBHAQMJWZSGX-UHFFFAOYSA-N -1 3 339.425 -0.042 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)c(NCCN(C)CCS(C)(=O)=O)n1 ZINC001570935313 948975123 /nfs/dbraw/zinc/97/51/23/948975123.db2.gz BYSBHAQMJWZSGX-UHFFFAOYSA-N -1 3 339.425 -0.042 20 0 EBADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(N)=O ZINC001574689112 948976853 /nfs/dbraw/zinc/97/68/53/948976853.db2.gz CSNYUGALAIWLKV-IUCAKERBSA-N -1 3 347.383 -0.375 20 0 EBADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(N)=O ZINC001574689112 948976862 /nfs/dbraw/zinc/97/68/62/948976862.db2.gz CSNYUGALAIWLKV-IUCAKERBSA-N -1 3 347.383 -0.375 20 0 EBADHM COCC[C@H](CO)NC(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1 ZINC001570936168 949019110 /nfs/dbraw/zinc/01/91/10/949019110.db2.gz XDFVCMHDVXSKGM-MRVPVSSYSA-N -1 3 337.340 -0.211 20 0 EBADHM C[C@H](CNC(=O)CN1CCOCC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574926881 949026862 /nfs/dbraw/zinc/02/68/62/949026862.db2.gz CLRNAYZUODLLLE-LLVKDONJSA-N -1 3 346.395 -0.490 20 0 EBADHM C[C@H](CNC(=O)CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574926881 949026828 /nfs/dbraw/zinc/02/68/28/949026828.db2.gz CLRNAYZUODLLLE-LLVKDONJSA-N -1 3 346.395 -0.490 20 0 EBADHM CO[C@@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C[C@H]1O ZINC001570936711 949049609 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ZRKKQGSWUGDNKT-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccncn1 ZINC001574979483 950155045 /nfs/dbraw/zinc/15/50/45/950155045.db2.gz ZRKKQGSWUGDNKT-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccn[nH]1 ZINC001574739098 950183792 /nfs/dbraw/zinc/18/37/92/950183792.db2.gz LMJICBBRQVUTHX-MRVPVSSYSA-N -1 3 343.351 -0.192 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(=O)n1C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574983796 950243329 /nfs/dbraw/zinc/24/33/29/950243329.db2.gz SAAMKCZDCZCSCF-MRVPVSSYSA-N -1 3 343.351 -0.069 20 0 EBADHM C[C@H](CNC(=O)c1c[nH]c(=O)n1C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574983796 950243348 /nfs/dbraw/zinc/24/33/48/950243348.db2.gz SAAMKCZDCZCSCF-MRVPVSSYSA-N -1 3 343.351 -0.069 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574984258 950267480 /nfs/dbraw/zinc/26/74/80/950267480.db2.gz XFYBNIMVYCVPHN-QMMMGPOBSA-N -1 3 343.351 -0.069 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574984258 950267499 /nfs/dbraw/zinc/26/74/99/950267499.db2.gz XFYBNIMVYCVPHN-QMMMGPOBSA-N -1 3 343.351 -0.069 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cn[nH]c1 ZINC001574987399 950286267 /nfs/dbraw/zinc/28/62/67/950286267.db2.gz CCIPXMQSCXWVSF-MRVPVSSYSA-N -1 3 343.351 -0.192 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cn[nH]c1 ZINC001574987399 950286282 /nfs/dbraw/zinc/28/62/82/950286282.db2.gz CCIPXMQSCXWVSF-MRVPVSSYSA-N -1 3 343.351 -0.192 20 0 EBADHM C[C@H](CN(C)C(=O)c1cn[nH]n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574743655 950334825 /nfs/dbraw/zinc/33/48/25/950334825.db2.gz USWZPPAYIVDCHI-SSDOTTSWSA-N -1 3 344.339 -0.797 20 0 EBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001574743679 950336209 /nfs/dbraw/zinc/33/62/09/950336209.db2.gz VBKPSBVKGIEHEC-VHSXEESVSA-N -1 3 347.379 -0.192 20 0 EBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001574743679 950336228 /nfs/dbraw/zinc/33/62/28/950336228.db2.gz VBKPSBVKGIEHEC-VHSXEESVSA-N -1 3 347.379 -0.192 20 0 EBADHM C[C@H](CN(C)C(=O)c1cn[nH]n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574744509 950352117 /nfs/dbraw/zinc/35/21/17/950352117.db2.gz ZNNOPCCSVAZTCA-SSDOTTSWSA-N -1 3 329.328 -0.653 20 0 EBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@H](C)NC(N)=O ZINC001574506473 950435559 /nfs/dbraw/zinc/43/55/59/950435559.db2.gz FDNYQXCUJNTQTF-IUCAKERBSA-N -1 3 347.383 -0.375 20 0 EBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@H](C)NC(N)=O ZINC001574506473 950435576 /nfs/dbraw/zinc/43/55/76/950435576.db2.gz FDNYQXCUJNTQTF-IUCAKERBSA-N -1 3 347.383 -0.375 20 0 EBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C)cn1 ZINC001574994589 950488580 /nfs/dbraw/zinc/48/85/80/950488580.db2.gz VDKUBMREVPHUAS-QMMMGPOBSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C)cn1 ZINC001574994589 950488594 /nfs/dbraw/zinc/48/85/94/950488594.db2.gz VDKUBMREVPHUAS-QMMMGPOBSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncc[nH]1 ZINC001574754271 950568218 /nfs/dbraw/zinc/56/82/18/950568218.db2.gz KEZHODGQLLXKEV-MRVPVSSYSA-N -1 3 343.351 -0.192 20 0 EBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncc[nH]1 ZINC001574754271 950568232 /nfs/dbraw/zinc/56/82/32/950568232.db2.gz KEZHODGQLLXKEV-MRVPVSSYSA-N -1 3 343.351 -0.192 20 0 EBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncc[nH]1 ZINC001574754274 950569297 /nfs/dbraw/zinc/56/92/97/950569297.db2.gz KEZHODGQLLXKEV-QMMMGPOBSA-N -1 3 343.351 -0.192 20 0 EBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncc[nH]1 ZINC001574754274 950569315 /nfs/dbraw/zinc/56/93/15/950569315.db2.gz KEZHODGQLLXKEV-QMMMGPOBSA-N -1 3 343.351 -0.192 20 0 EBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1ncnn1C ZINC001574754778 950587424 /nfs/dbraw/zinc/58/74/24/950587424.db2.gz PYHKJYRCXFFNQM-VIFPVBQESA-N -1 3 344.383 -0.426 20 0 EBADHM C[C@@H](CN(C)C(=O)c1cn[nH]c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574760626 950673298 /nfs/dbraw/zinc/67/32/98/950673298.db2.gz KGVIQSNOMZEIBS-QMMMGPOBSA-N -1 3 343.351 -0.192 20 0 EBADHM C[C@@H](CN(C)C(=O)c1cn[nH]c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574760626 950673313 /nfs/dbraw/zinc/67/33/13/950673313.db2.gz KGVIQSNOMZEIBS-QMMMGPOBSA-N -1 3 343.351 -0.192 20 0 EBADHM CC1(C)[C@H](O)C[C@H]1NCc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1 ZINC001575624772 950674755 /nfs/dbraw/zinc/67/47/55/950674755.db2.gz OFOJOBBSNJKRCM-NXEZZACHSA-N -1 3 330.352 -0.136 20 0 EBADHM C[C@H](CN(C)C(=O)c1cnnn1C)Nc1ncccc1-c1nnn[n-]1 ZINC001574764489 950751790 /nfs/dbraw/zinc/75/17/90/950751790.db2.gz UIFKCXLDPHSCRB-SECBINFHSA-N -1 3 342.367 -0.037 20 0 EBADHM C[C@H](CN(C)C(=O)c1cnnn1C)Nc1ncccc1-c1nn[n-]n1 ZINC001574764489 950751808 /nfs/dbraw/zinc/75/18/08/950751808.db2.gz UIFKCXLDPHSCRB-SECBINFHSA-N -1 3 342.367 -0.037 20 0 EBADHM CCOC(=O)[C@@H](CC(=O)NC1CCN(CC(=O)[O-])CC1)C(C)=O ZINC001590058832 950780481 /nfs/dbraw/zinc/78/04/81/950780481.db2.gz RQVQWGLTQSZHOG-LBPRGKRZSA-N -1 3 328.365 -0.190 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1cnon1 ZINC001575010320 950816438 /nfs/dbraw/zinc/81/64/38/950816438.db2.gz CYSZTEBJFFXQRW-MRVPVSSYSA-N -1 3 331.340 -0.172 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1cnon1 ZINC001575010320 950816458 /nfs/dbraw/zinc/81/64/58/950816458.db2.gz CYSZTEBJFFXQRW-MRVPVSSYSA-N -1 3 331.340 -0.172 20 0 EBADHM C[C@H](CN(C)CC(=O)N(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767809 950870730 /nfs/dbraw/zinc/87/07/30/950870730.db2.gz QRRNGDDFLYGOQJ-SECBINFHSA-N -1 3 334.384 -0.667 20 0 EBADHM C[C@H](CN(C)CC(=O)N(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767809 950870745 /nfs/dbraw/zinc/87/07/45/950870745.db2.gz QRRNGDDFLYGOQJ-SECBINFHSA-N -1 3 334.384 -0.667 20 0 EBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1CCOCC1 ZINC001575014124 950899751 /nfs/dbraw/zinc/89/97/51/950899751.db2.gz DIJJQLZHWPWXKO-VIFPVBQESA-N -1 3 347.379 -0.144 20 0 EBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1CCOCC1 ZINC001575014124 950899771 /nfs/dbraw/zinc/89/97/71/950899771.db2.gz DIJJQLZHWPWXKO-VIFPVBQESA-N -1 3 347.379 -0.144 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccn(C)n1 ZINC001575015532 950937829 /nfs/dbraw/zinc/93/78/29/950937829.db2.gz SIDUBNXFNWOTJB-MRVPVSSYSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccn(C)n1 ZINC001575015532 950937849 /nfs/dbraw/zinc/93/78/49/950937849.db2.gz SIDUBNXFNWOTJB-MRVPVSSYSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnn1C ZINC001575016935 950969686 /nfs/dbraw/zinc/96/96/86/950969686.db2.gz CWFBRYHQZPWIDR-MRVPVSSYSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnn1C ZINC001575016935 950969701 /nfs/dbraw/zinc/96/97/01/950969701.db2.gz CWFBRYHQZPWIDR-MRVPVSSYSA-N -1 3 343.351 -0.523 20 0 EBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccncn1 ZINC001575019535 951039569 /nfs/dbraw/zinc/03/95/69/951039569.db2.gz VDECHHCKRADGKA-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccncn1 ZINC001575019535 951039582 /nfs/dbraw/zinc/03/95/82/951039582.db2.gz VDECHHCKRADGKA-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@@H](CNC(=O)c1ccncn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575034915 951261857 /nfs/dbraw/zinc/26/18/57/951261857.db2.gz QNEAKQHKODQBRZ-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@@H](CNC(=O)c1ccncn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575034915 951261867 /nfs/dbraw/zinc/26/18/67/951261867.db2.gz QNEAKQHKODQBRZ-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@H](CNC(=O)c1cn(C)nn1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575041987 951354476 /nfs/dbraw/zinc/35/44/76/951354476.db2.gz FLYCMHLAJLZBED-MRVPVSSYSA-N -1 3 328.340 -0.379 20 0 EBADHM C[C@H](CNC(=O)c1cn(C)nn1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575041987 951354491 /nfs/dbraw/zinc/35/44/91/951354491.db2.gz FLYCMHLAJLZBED-MRVPVSSYSA-N -1 3 328.340 -0.379 20 0 EBADHM C[C@@H](CNC(=O)c1cn(C)nn1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575042482 951363648 /nfs/dbraw/zinc/36/36/48/951363648.db2.gz KJMDWMNDYTXZOR-SECBINFHSA-N -1 3 342.367 -0.132 20 0 EBADHM C[C@@H](CNC(=O)c1cn(C)nn1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575042482 951363661 /nfs/dbraw/zinc/36/36/61/951363661.db2.gz KJMDWMNDYTXZOR-SECBINFHSA-N -1 3 342.367 -0.132 20 0 EBADHM C[C@H](CNC(=O)c1cnn(C)c1N)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575053080 951474246 /nfs/dbraw/zinc/47/42/46/951474246.db2.gz QFPZNTLPDOYNPQ-MRVPVSSYSA-N -1 3 342.367 -0.192 20 0 EBADHM C[C@H](CNC(=O)c1cnn(C)c1N)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575053080 951474256 /nfs/dbraw/zinc/47/42/56/951474256.db2.gz QFPZNTLPDOYNPQ-MRVPVSSYSA-N -1 3 342.367 -0.192 20 0 EBADHM C[C@H](CNC(=O)c1n[nH]cc1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575062144 951566613 /nfs/dbraw/zinc/56/66/13/951566613.db2.gz UMTFUSGFGAGRJD-ZCFIWIBFSA-N -1 3 347.314 -0.395 20 0 EBADHM C[C@@H](CNC(=O)c1ncccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575066589 951598949 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332.368 -0.339 20 0 EBADHM Cn1[n-]c(CN2CC[C@H](CCNC(=O)Cn3ccnc3)C2)nc1=O ZINC001366855502 1133322606 /nfs/dbraw/zinc/32/26/06/1133322606.db2.gz XVWXDQZRPUDWRY-LBPRGKRZSA-N -1 3 333.396 -0.667 20 0 EBADHM C[C@@H](C(=O)NC(N)=O)N(C)C[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001366867665 1133331407 /nfs/dbraw/zinc/33/14/07/1133331407.db2.gz JYGYSWFKZJQXJT-WDEREUQCSA-N -1 3 349.391 -0.236 20 0 EBADHM C[C@@H](NC(=O)CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1)C1CC1 ZINC001367021610 1133432151 /nfs/dbraw/zinc/43/21/51/1133432151.db2.gz CAZLBMOMHKPQDR-ZYHUDNBSSA-N -1 3 333.392 -0.099 20 0 EBADHM Cn1[n-]c(CNC[C@](C)(NC(=O)c2ncccn2)C2CC2)nc1=O ZINC001367192956 1133499026 /nfs/dbraw/zinc/49/90/26/1133499026.db2.gz WNXSPNOEJONLGP-HNNXBMFYSA-N -1 3 331.380 -0.413 20 0 EBADHM Cc1nc[nH]c1C(=O)N[C@@](C)(CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001367197257 1133499709 /nfs/dbraw/zinc/49/97/09/1133499709.db2.gz YADFXJYCRMGGJJ-HNNXBMFYSA-N -1 3 333.396 -0.172 20 0 EBADHM C[C@H](NC[C@H]1CCCN1C(=O)c1c[n-]n2c1nccc2=O)C(N)=O 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EBADHM Cc1ccc(C(=O)NCc2nc(CN[C@H](C)C(N)=O)cc(=O)[n-]2)n1C ZINC001368676049 1134372571 /nfs/dbraw/zinc/37/25/71/1134372571.db2.gz WHLQHMWEKYBTJW-SNVBAGLBSA-N -1 3 346.391 -0.277 20 0 EBADHM CC[C@@H](F)CNCc1cc(=O)[n-]c(CNC(=O)c2nnn(C)n2)n1 ZINC001368691004 1134391414 /nfs/dbraw/zinc/39/14/14/1134391414.db2.gz QHOFDDBUWAWYQR-MRVPVSSYSA-N -1 3 338.347 -0.527 20 0 EBADHM CCCn1ncnc1CN1CCC(CO)(NC(=O)c2cn[n-]n2)CC1 ZINC001368765959 1134427938 /nfs/dbraw/zinc/42/79/38/1134427938.db2.gz OGJZHRNBIRLBIA-UHFFFAOYSA-N -1 3 348.411 -0.437 20 0 EBADHM CC(C)Cn1[n-]c(CC(=O)N[C@H](C)[C@H](C)NCC(N)=O)cc1=O ZINC001368876462 1134472338 /nfs/dbraw/zinc/47/23/38/1134472338.db2.gz WLJUYKKFEWIWDV-WDEREUQCSA-N -1 3 325.413 -0.657 20 0 EBADHM CN(CC(C)(C)CNCc1n[nH]c(=O)[n-]1)C(=O)CO[C@H]1CCOC1 ZINC001368915503 1134483654 /nfs/dbraw/zinc/48/36/54/1134483654.db2.gz SAGGLJCQLQVXGJ-NSHDSACASA-N -1 3 341.412 -0.110 20 0 EBADHM Cn1[n-]c(CN2C[C@@H]3[C@@H](CNC(=O)C[C@H]4CCOC4)[C@@H]3C2)nc1=O ZINC001369120042 1134575226 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333.396 -0.219 20 0 EBADHM CCS(=O)(=O)CCNC(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000736658342 582949078 /nfs/dbraw/zinc/94/90/78/582949078.db2.gz BTKJKJKUUUKPOC-UHFFFAOYSA-N -1 3 339.377 -0.204 20 0 EBADHM CCS(=O)(=O)CCNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736658342 582949080 /nfs/dbraw/zinc/94/90/80/582949080.db2.gz BTKJKJKUUUKPOC-UHFFFAOYSA-N -1 3 339.377 -0.204 20 0 EBADHM CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736757863 582953858 /nfs/dbraw/zinc/95/38/58/582953858.db2.gz XUMAKADBGPSXIW-JTQLQIEISA-N -1 3 337.409 -0.024 20 0 EBADHM CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736757863 582953860 /nfs/dbraw/zinc/95/38/60/582953860.db2.gz XUMAKADBGPSXIW-JTQLQIEISA-N -1 3 337.409 -0.024 20 0 EBADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2cc(=O)c([O-])co2)c1 ZINC000736776268 582955377 /nfs/dbraw/zinc/95/53/77/582955377.db2.gz AGWDYMZGFHLMSI-UHFFFAOYSA-N -1 3 328.302 -0.061 20 0 EBADHM CN1C[C@H](C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)CC1=O ZINC000736844862 582960981 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ZINC000736908429 582970258 /nfs/dbraw/zinc/97/02/58/582970258.db2.gz FRZWFVDRCKIASO-VWYCJHECSA-N -1 3 345.315 -0.255 20 0 EBADHM COC(=O)[C@@H]1C[C@H]1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736909585 582970788 /nfs/dbraw/zinc/97/07/88/582970788.db2.gz QXQNVFNPUASIHB-NXEZZACHSA-N -1 3 331.336 -0.401 20 0 EBADHM COC(=O)[C@@H]1C[C@H]1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736909585 582970789 /nfs/dbraw/zinc/97/07/89/582970789.db2.gz QXQNVFNPUASIHB-NXEZZACHSA-N -1 3 331.336 -0.401 20 0 EBADHM COC(=O)[C@H]1CN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736911931 582971101 /nfs/dbraw/zinc/97/11/01/582971101.db2.gz JREWDOUUCBOVFU-NEPJUHHUSA-N -1 3 346.347 -0.733 20 0 EBADHM COC(=O)[C@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736911931 582971104 /nfs/dbraw/zinc/97/11/04/582971104.db2.gz JREWDOUUCBOVFU-NEPJUHHUSA-N -1 3 346.347 -0.733 20 0 EBADHM COC(=O)CCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736919917 582972253 /nfs/dbraw/zinc/97/22/53/582972253.db2.gz ZGXHTHWLTMQYQS-UHFFFAOYSA-N -1 3 334.292 -0.902 20 0 EBADHM COC(=O)CCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736919917 582972254 /nfs/dbraw/zinc/97/22/54/582972254.db2.gz ZGXHTHWLTMQYQS-UHFFFAOYSA-N -1 3 334.292 -0.902 20 0 EBADHM COC(=O)[C@H](C)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736938457 582976908 /nfs/dbraw/zinc/97/69/08/582976908.db2.gz AIEWEADWZDPTLP-QMMMGPOBSA-N -1 3 332.320 -0.726 20 0 EBADHM COC(=O)[C@H](C)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736938457 582976911 /nfs/dbraw/zinc/97/69/11/582976911.db2.gz AIEWEADWZDPTLP-QMMMGPOBSA-N -1 3 332.320 -0.726 20 0 EBADHM CCC[C@@](C)(NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000736962998 582978178 /nfs/dbraw/zinc/97/81/78/582978178.db2.gz IXSWKXSJKOKNNY-CQSZACIVSA-N -1 3 326.353 -0.918 20 0 EBADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736969051 582978469 /nfs/dbraw/zinc/97/84/69/582978469.db2.gz UNHVXRFBOMUHNJ-AWEZNQCLSA-N -1 3 334.336 -0.681 20 0 EBADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736969051 582978472 /nfs/dbraw/zinc/97/84/72/582978472.db2.gz UNHVXRFBOMUHNJ-AWEZNQCLSA-N -1 3 334.336 -0.681 20 0 EBADHM COC[C@H]1CN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000736977223 582979087 /nfs/dbraw/zinc/97/90/87/582979087.db2.gz WGAGOGYCLGIEFO-CQSZACIVSA-N -1 3 346.391 -0.170 20 0 EBADHM COC[C@H]1CN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000736977223 582979090 /nfs/dbraw/zinc/97/90/90/582979090.db2.gz WGAGOGYCLGIEFO-CQSZACIVSA-N -1 3 346.391 -0.170 20 0 EBADHM COCCN(C)CCNC(=O)CNc1ccc(-c2nnn[n-]2)cc1 ZINC000736990276 582980058 /nfs/dbraw/zinc/98/00/58/582980058.db2.gz MEPNBJMEVIUZSA-UHFFFAOYSA-N -1 3 333.396 -0.027 20 0 EBADHM COCCN(C)CCNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736989345 582980125 /nfs/dbraw/zinc/98/01/25/582980125.db2.gz AKNKZAGXOUOXSA-UHFFFAOYSA-N -1 3 334.380 -0.060 20 0 EBADHM COc1ccc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)nn1 ZINC000737066096 582987250 /nfs/dbraw/zinc/98/72/50/582987250.db2.gz BKBFRACNBXTALO-UHFFFAOYSA-N -1 3 341.335 -0.098 20 0 EBADHM COc1ccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)nn1 ZINC000737066096 582987253 /nfs/dbraw/zinc/98/72/53/582987253.db2.gz BKBFRACNBXTALO-UHFFFAOYSA-N -1 3 341.335 -0.098 20 0 EBADHM CCNC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)[O-])CC2)cc1 ZINC000737124431 582991114 /nfs/dbraw/zinc/99/11/14/582991114.db2.gz QMEVIPHJFYJQSL-UHFFFAOYSA-N -1 3 334.376 -0.032 20 0 EBADHM C[S@](=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737174298 582995529 /nfs/dbraw/zinc/99/55/29/582995529.db2.gz VERBRBRCAYVAMJ-FQEVSTJZSA-N -1 3 333.370 -0.337 20 0 EBADHM Cc1cc(OCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)no1 ZINC000737278020 583003626 /nfs/dbraw/zinc/00/36/26/583003626.db2.gz DKDDSIVQUIDKNX-UHFFFAOYSA-N -1 3 334.296 -0.436 20 0 EBADHM Cc1cc(OCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)no1 ZINC000737278020 583003627 /nfs/dbraw/zinc/00/36/27/583003627.db2.gz DKDDSIVQUIDKNX-UHFFFAOYSA-N -1 3 334.296 -0.436 20 0 EBADHM CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737361848 583006243 /nfs/dbraw/zinc/00/62/43/583006243.db2.gz 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Cc1ccc(-c2nn[n-]n2)c(N2CCC(C(=O)NCCO)CC2)n1 ZINC000826274307 583890445 /nfs/dbraw/zinc/89/04/45/583890445.db2.gz NEDBSBVXAAYTCI-UHFFFAOYSA-N -1 3 331.380 -0.105 20 0 EBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@]3(C2)NC(=O)N(C)C3=O)n1 ZINC000826274561 583890505 /nfs/dbraw/zinc/89/05/05/583890505.db2.gz VOBUJCOGBXHXFF-CQSZACIVSA-N -1 3 328.336 -0.299 20 0 EBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@]3(C2)NC(=O)N(C)C3=O)n1 ZINC000826274561 583890506 /nfs/dbraw/zinc/89/05/06/583890506.db2.gz VOBUJCOGBXHXFF-CQSZACIVSA-N -1 3 328.336 -0.299 20 0 EBADHM Cc1cccc(S(=O)(=O)NCCn2cncn2)c1-c1nnn[n-]1 ZINC000826303219 583890850 /nfs/dbraw/zinc/89/08/50/583890850.db2.gz FXQLOHHKQRKHOX-UHFFFAOYSA-N -1 3 334.365 -0.255 20 0 EBADHM Cc1cccc(S(=O)(=O)NCCn2cncn2)c1-c1nn[n-]n1 ZINC000826303219 583890851 /nfs/dbraw/zinc/89/08/51/583890851.db2.gz FXQLOHHKQRKHOX-UHFFFAOYSA-N -1 3 334.365 -0.255 20 0 EBADHM Cc1cccc(S(=O)(=O)N2CCNC(=O)CC2)c1-c1nnn[n-]1 ZINC000826301967 583890856 /nfs/dbraw/zinc/89/08/56/583890856.db2.gz 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ZINC000826307920 583891201 /nfs/dbraw/zinc/89/12/01/583891201.db2.gz BLBBRHXQCVXNPY-UHFFFAOYSA-N -1 3 337.303 -0.350 20 0 EBADHM Cn1c(=O)cccc1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826355094 583893334 /nfs/dbraw/zinc/89/33/34/583893334.db2.gz JYIQAKQGDLSNSY-UHFFFAOYSA-N -1 3 340.347 -0.198 20 0 EBADHM Cn1c(=O)cccc1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826355094 583893336 /nfs/dbraw/zinc/89/33/36/583893336.db2.gz JYIQAKQGDLSNSY-UHFFFAOYSA-N -1 3 340.347 -0.198 20 0 EBADHM Cn1ccc(CC(=O)NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC000826362621 583894949 /nfs/dbraw/zinc/89/49/49/583894949.db2.gz BADCOPDNKCMZPE-UHFFFAOYSA-N -1 3 327.352 -0.234 20 0 EBADHM Cn1ccc(CC(=O)NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC000826362621 583894952 /nfs/dbraw/zinc/89/49/52/583894952.db2.gz BADCOPDNKCMZPE-UHFFFAOYSA-N -1 3 327.352 -0.234 20 0 EBADHM Cn1ccc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362851 583894989 /nfs/dbraw/zinc/89/49/89/583894989.db2.gz LTPWHLOBWXENES-UHFFFAOYSA-N -1 3 326.320 -0.145 20 0 EBADHM Cn1ccc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362851 583894991 /nfs/dbraw/zinc/89/49/91/583894991.db2.gz LTPWHLOBWXENES-UHFFFAOYSA-N -1 3 326.320 -0.145 20 0 EBADHM Cn1cnn(CC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000826365582 583895453 /nfs/dbraw/zinc/89/54/53/583895453.db2.gz UHLWSPXVMFLHLY-UHFFFAOYSA-N -1 3 343.303 -0.812 20 0 EBADHM Cn1cnn(CC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000826365582 583895455 /nfs/dbraw/zinc/89/54/55/583895455.db2.gz UHLWSPXVMFLHLY-UHFFFAOYSA-N -1 3 343.303 -0.812 20 0 EBADHM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826389907 583896121 /nfs/dbraw/zinc/89/61/21/583896121.db2.gz LEVGXSVYWKGEHL-QWRGUYRKSA-N -1 3 344.379 -0.166 20 0 EBADHM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826389907 583896123 /nfs/dbraw/zinc/89/61/23/583896123.db2.gz LEVGXSVYWKGEHL-QWRGUYRKSA-N -1 3 344.379 -0.166 20 0 EBADHM NC(=O)C1(CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC000826388786 583896282 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CC(=O)N[C@@H]1COC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573497490 946349019 /nfs/dbraw/zinc/34/90/19/946349019.db2.gz RJYHVCCEDMQXHM-JTQLQIEISA-N -1 3 331.336 -0.686 20 0 EBADHM CC(=O)N[C@@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573497490 946349034 /nfs/dbraw/zinc/34/90/34/946349034.db2.gz RJYHVCCEDMQXHM-JTQLQIEISA-N -1 3 331.336 -0.686 20 0 EBADHM CC(=O)NCC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C[C@@H]1C ZINC001573502557 946386799 /nfs/dbraw/zinc/38/67/99/946386799.db2.gz XNTDESCZZSKUML-JOYOIKCWSA-N -1 3 344.379 -0.201 20 0 EBADHM CC(=O)NCC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C[C@@H]1C ZINC001573502557 946386812 /nfs/dbraw/zinc/38/68/12/946386812.db2.gz XNTDESCZZSKUML-JOYOIKCWSA-N -1 3 344.379 -0.201 20 0 EBADHM CC(=O)NCC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573504589 946410998 /nfs/dbraw/zinc/41/09/98/946410998.db2.gz HPEAPWBJPSQMJT-LBPRGKRZSA-N -1 3 344.379 -0.199 20 0 EBADHM CC(=O)NCC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573504589 946411002 /nfs/dbraw/zinc/41/10/02/946411002.db2.gz HPEAPWBJPSQMJT-LBPRGKRZSA-N -1 3 344.379 -0.199 20 0 EBADHM CC(=O)NCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573509608 946465013 /nfs/dbraw/zinc/46/50/13/946465013.db2.gz OZLGZYGDSVQFTC-UHFFFAOYSA-N -1 3 330.352 -0.954 20 0 EBADHM CC(=O)NCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573509608 946465016 /nfs/dbraw/zinc/46/50/16/946465016.db2.gz OZLGZYGDSVQFTC-UHFFFAOYSA-N -1 3 330.352 -0.954 20 0 EBADHM CC(=O)NCC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573515105 946537261 /nfs/dbraw/zinc/53/72/61/946537261.db2.gz HRKMMGVQSZINPZ-NSHDSACASA-N -1 3 344.379 -0.599 20 0 EBADHM CC(=O)NCC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573515105 946537272 /nfs/dbraw/zinc/53/72/72/946537272.db2.gz HRKMMGVQSZINPZ-NSHDSACASA-N -1 3 344.379 -0.599 20 0 EBADHM CC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573515221 946539750 /nfs/dbraw/zinc/53/97/50/946539750.db2.gz JCPOANDSKKLLTD-SECBINFHSA-N -1 3 332.368 -0.661 20 0 EBADHM CC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573515221 946539757 /nfs/dbraw/zinc/53/97/57/946539757.db2.gz JCPOANDSKKLLTD-SECBINFHSA-N -1 3 332.368 -0.661 20 0 EBADHM CC(=O)NCC(=O)NC[C@@H](C)N(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573516416 946561769 /nfs/dbraw/zinc/56/17/69/946561769.db2.gz YZTJXUCWJYFYGE-SNVBAGLBSA-N -1 3 346.395 -0.353 20 0 EBADHM CC(=O)NCC(=O)NC[C@@H](C)N(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573516416 946561781 /nfs/dbraw/zinc/56/17/81/946561781.db2.gz YZTJXUCWJYFYGE-SNVBAGLBSA-N -1 3 346.395 -0.353 20 0 EBADHM CC(=O)NCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1 ZINC001573516949 946562116 /nfs/dbraw/zinc/56/21/16/946562116.db2.gz AKWWHJUMGMXPBZ-UHFFFAOYSA-N -1 3 344.379 -0.151 20 0 EBADHM CC(=O)NCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1 ZINC001573516949 946562126 /nfs/dbraw/zinc/56/21/26/946562126.db2.gz AKWWHJUMGMXPBZ-UHFFFAOYSA-N -1 3 344.379 -0.151 20 0 EBADHM O=C([O-])c1cn(CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)nn1 ZINC000325820817 971246010 /nfs/dbraw/zinc/24/60/10/971246010.db2.gz MMVQYLMLXHIWMW-WDEREUQCSA-N -1 3 338.368 -0.861 20 0 EBADHM C[C@H](C(=O)N(C)C)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573594782 947405474 /nfs/dbraw/zinc/40/54/74/947405474.db2.gz SNPFHLRJTMGGQR-SECBINFHSA-N -1 3 346.395 -0.572 20 0 EBADHM C[C@H](C(=O)N(C)C)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573594782 947405479 /nfs/dbraw/zinc/40/54/79/947405479.db2.gz SNPFHLRJTMGGQR-SECBINFHSA-N -1 3 346.395 -0.572 20 0 EBADHM CC(=O)CCCC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573381268 947872714 /nfs/dbraw/zinc/87/27/14/947872714.db2.gz SFVCAIPRUDMYSR-GFCCVEGCSA-N -1 3 347.379 -0.090 20 0 EBADHM CC(=O)CCCC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573381268 947872719 /nfs/dbraw/zinc/87/27/19/947872719.db2.gz SFVCAIPRUDMYSR-GFCCVEGCSA-N -1 3 347.379 -0.090 20 0 EBADHM CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1ncccc1-c1nnn[n-]1 ZINC001573398567 947984554 /nfs/dbraw/zinc/98/45/54/947984554.db2.gz NASFZHHGVAIJEW-SNVBAGLBSA-N -1 3 346.395 -0.319 20 0 EBADHM CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1ncccc1-c1nn[n-]n1 ZINC001573398567 947984558 /nfs/dbraw/zinc/98/45/58/947984558.db2.gz NASFZHHGVAIJEW-SNVBAGLBSA-N -1 3 346.395 -0.319 20 0 EBADHM CC(=O)N(C)CC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573404162 948017967 /nfs/dbraw/zinc/01/79/67/948017967.db2.gz QUDMDVSQBUVQJZ-UHFFFAOYSA-N -1 3 349.420 -0.293 20 0 EBADHM C[C@@H](C(=O)NC1CC1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573663778 948041942 /nfs/dbraw/zinc/04/19/42/948041942.db2.gz PUWPTTCQIMCWDQ-VIFPVBQESA-N -1 3 346.395 -0.477 20 0 EBADHM CC(=O)N(C)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573405792 948049894 /nfs/dbraw/zinc/04/98/94/948049894.db2.gz XHTITKQOUREHKZ-UHFFFAOYSA-N -1 3 344.379 -0.199 20 0 EBADHM CC(=O)N(C)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573405792 948049902 /nfs/dbraw/zinc/04/99/02/948049902.db2.gz XHTITKQOUREHKZ-UHFFFAOYSA-N -1 3 344.379 -0.199 20 0 EBADHM CC(=O)N(C)CC(=O)N[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001573406908 948059947 /nfs/dbraw/zinc/05/99/47/948059947.db2.gz WLXPRWRNUJJIFI-VIFPVBQESA-N -1 3 332.368 -0.343 20 0 EBADHM CC(=O)N(C)CC(=O)N[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001573406908 948059952 /nfs/dbraw/zinc/05/99/52/948059952.db2.gz WLXPRWRNUJJIFI-VIFPVBQESA-N -1 3 332.368 -0.343 20 0 EBADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573409397 948074443 /nfs/dbraw/zinc/07/44/43/948074443.db2.gz RIFXUUJDMAAGAL-PHIMTYICSA-N -1 3 344.379 -0.201 20 0 EBADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573409397 948074448 /nfs/dbraw/zinc/07/44/48/948074448.db2.gz RIFXUUJDMAAGAL-PHIMTYICSA-N -1 3 344.379 -0.201 20 0 EBADHM CC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573415243 948103315 /nfs/dbraw/zinc/10/33/15/948103315.db2.gz PZJODFVWKZQWTB-GFCCVEGCSA-N -1 3 347.379 -0.360 20 0 EBADHM CC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573415243 948103320 /nfs/dbraw/zinc/10/33/20/948103320.db2.gz PZJODFVWKZQWTB-GFCCVEGCSA-N -1 3 347.379 -0.360 20 0 EBADHM CC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573415633 948112372 /nfs/dbraw/zinc/11/23/72/948112372.db2.gz ZKTVIEKULJRXEA-GFCCVEGCSA-N -1 3 347.379 -0.360 20 0 EBADHM CC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573415633 948112378 /nfs/dbraw/zinc/11/23/78/948112378.db2.gz ZKTVIEKULJRXEA-GFCCVEGCSA-N -1 3 347.379 -0.360 20 0 EBADHM CC(=O)N1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2 ZINC001573425933 948152138 /nfs/dbraw/zinc/15/21/38/948152138.db2.gz FQMNXBOKOAWXAW-SECBINFHSA-N -1 3 331.336 -0.686 20 0 EBADHM CC(=O)N1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2 ZINC001573425933 948152142 /nfs/dbraw/zinc/15/21/42/948152142.db2.gz FQMNXBOKOAWXAW-SECBINFHSA-N -1 3 331.336 -0.686 20 0 EBADHM CC(=O)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2 ZINC001573426576 948158048 /nfs/dbraw/zinc/15/80/48/948158048.db2.gz MLXJFPGYKYUCSP-JTQLQIEISA-N -1 3 331.336 -0.686 20 0 EBADHM CC(=O)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2 ZINC001573426576 948158054 /nfs/dbraw/zinc/15/80/54/948158054.db2.gz MLXJFPGYKYUCSP-JTQLQIEISA-N -1 3 331.336 -0.686 20 0 EBADHM CC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nnn[n-]3)[nH]1)O2 ZINC001573426912 948159859 /nfs/dbraw/zinc/15/98/59/948159859.db2.gz QVGHHJDZPJJEPW-SNVBAGLBSA-N -1 3 345.363 -0.296 20 0 EBADHM CC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nn[n-]n3)[nH]1)O2 ZINC001573426912 948159864 /nfs/dbraw/zinc/15/98/64/948159864.db2.gz QVGHHJDZPJJEPW-SNVBAGLBSA-N -1 3 345.363 -0.296 20 0 EBADHM CC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001573427390 948163031 /nfs/dbraw/zinc/16/30/31/948163031.db2.gz XHEUGTKPXSTZGU-LLVKDONJSA-N -1 3 345.363 -0.296 20 0 EBADHM CC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001573427390 948163038 /nfs/dbraw/zinc/16/30/38/948163038.db2.gz XHEUGTKPXSTZGU-LLVKDONJSA-N -1 3 345.363 -0.296 20 0 EBADHM CC(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001573433703 948205962 /nfs/dbraw/zinc/20/59/62/948205962.db2.gz NEMWDDOYYHCGIP-GFCCVEGCSA-N -1 3 343.395 -0.601 20 0 EBADHM CC(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001573433703 948205970 /nfs/dbraw/zinc/20/59/70/948205970.db2.gz NEMWDDOYYHCGIP-GFCCVEGCSA-N -1 3 343.395 -0.601 20 0 EBADHM CC(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573442737 948297924 /nfs/dbraw/zinc/29/79/24/948297924.db2.gz YKAHRVFZGKLNQU-LLVKDONJSA-N -1 3 333.352 -0.438 20 0 EBADHM CC(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573442737 948297934 /nfs/dbraw/zinc/29/79/34/948297934.db2.gz YKAHRVFZGKLNQU-LLVKDONJSA-N -1 3 333.352 -0.438 20 0 EBADHM O=C(NC[C@]12COC(=O)N1CCOC2)c1ccc(-c2nnn[n-]2)cn1 ZINC001363270970 948511134 /nfs/dbraw/zinc/51/11/34/948511134.db2.gz RCRRHPIBNJNKFO-AWEZNQCLSA-N -1 3 345.319 -0.787 20 0 EBADHM O=C(NC[C@]12COC(=O)N1CCOC2)c1ccc(-c2nn[n-]n2)cn1 ZINC001363270970 948511139 /nfs/dbraw/zinc/51/11/39/948511139.db2.gz RCRRHPIBNJNKFO-AWEZNQCLSA-N -1 3 345.319 -0.787 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DZOFTLVUFGIPLZ-UHFFFAOYSA-N -1 3 339.743 -0.593 20 0 EBADHM COCCNC(=O)CNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821691003 583802046 /nfs/dbraw/zinc/80/20/46/583802046.db2.gz DZOFTLVUFGIPLZ-UHFFFAOYSA-N -1 3 339.743 -0.593 20 0 EBADHM COCCOCCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821693046 583802153 /nfs/dbraw/zinc/80/21/53/583802153.db2.gz OXQISPKVFJJGLD-LBPRGKRZSA-N -1 3 348.411 -0.170 20 0 EBADHM COCCOCCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821693046 583802155 /nfs/dbraw/zinc/80/21/55/583802155.db2.gz OXQISPKVFJJGLD-LBPRGKRZSA-N -1 3 348.411 -0.170 20 0 EBADHM COCCNC(=O)CN[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821691211 583802265 /nfs/dbraw/zinc/80/22/65/583802265.db2.gz MRLNMYMKJNVJEZ-ZDUSSCGKSA-N -1 3 348.363 -0.567 20 0 EBADHM COCCNC(=O)CN[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821691211 583802267 /nfs/dbraw/zinc/80/22/67/583802267.db2.gz MRLNMYMKJNVJEZ-ZDUSSCGKSA-N -1 3 348.363 -0.567 20 0 EBADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000821932130 583806219 /nfs/dbraw/zinc/80/62/19/583806219.db2.gz JVRZGRDLIJAVMH-SECBINFHSA-N -1 3 339.381 -0.651 20 0 EBADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000821932130 583806222 /nfs/dbraw/zinc/80/62/22/583806222.db2.gz JVRZGRDLIJAVMH-SECBINFHSA-N -1 3 339.381 -0.651 20 0 EBADHM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000821932663 583806401 /nfs/dbraw/zinc/80/64/01/583806401.db2.gz OXPDAANGMUJTOU-QMMMGPOBSA-N -1 3 342.406 -0.308 20 0 EBADHM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000821932663 583806402 /nfs/dbraw/zinc/80/64/02/583806402.db2.gz OXPDAANGMUJTOU-QMMMGPOBSA-N -1 3 342.406 -0.308 20 0 EBADHM Cc1c(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)cccc1-c1nnn[n-]1 ZINC000822046065 583807676 /nfs/dbraw/zinc/80/76/76/583807676.db2.gz XJMHVMXCBLZQTG-SECBINFHSA-N -1 3 343.347 -0.553 20 0 EBADHM Cc1c(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)cccc1-c1nn[n-]n1 ZINC000822046065 583807677 /nfs/dbraw/zinc/80/76/77/583807677.db2.gz XJMHVMXCBLZQTG-SECBINFHSA-N -1 3 343.347 -0.553 20 0 EBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)CC(N)=O)c1-c1nnn[n-]1 ZINC000822312181 583809481 /nfs/dbraw/zinc/80/94/81/583809481.db2.gz CBJJZPWHXCSUGN-MRVPVSSYSA-N -1 3 331.336 -0.506 20 0 EBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)CC(N)=O)c1-c1nn[n-]n1 ZINC000822312181 583809483 /nfs/dbraw/zinc/80/94/83/583809483.db2.gz CBJJZPWHXCSUGN-MRVPVSSYSA-N -1 3 331.336 -0.506 20 0 EBADHM Cc1nc2n(n1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000822463422 583811366 /nfs/dbraw/zinc/81/13/66/583811366.db2.gz QXKBPOOUKHOPOK-UHFFFAOYSA-N -1 3 346.376 -0.029 20 0 EBADHM Cc1nc2n(n1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822463422 583811367 /nfs/dbraw/zinc/81/13/67/583811367.db2.gz QXKBPOOUKHOPOK-UHFFFAOYSA-N -1 3 346.376 -0.029 20 0 EBADHM Cc1nnc2n1C[C@@H](NC(=O)c1cc(-c3nnn[n-]3)cn1C)CC2 ZINC000822515426 583811710 /nfs/dbraw/zinc/81/17/10/583811710.db2.gz MCVJEXPGGQKKQB-JTQLQIEISA-N -1 3 327.352 -0.150 20 0 EBADHM Cc1nnc2n1C[C@@H](NC(=O)c1cc(-c3nn[n-]n3)cn1C)CC2 ZINC000822515426 583811713 /nfs/dbraw/zinc/81/17/13/583811713.db2.gz MCVJEXPGGQKKQB-JTQLQIEISA-N -1 3 327.352 -0.150 20 0 EBADHM Cc1oc(NC(=O)CN2CCNC(=O)[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000822548017 583812433 /nfs/dbraw/zinc/81/24/33/583812433.db2.gz DMRBCCCDTYVYJJ-QMMMGPOBSA-N -1 3 333.352 -0.165 20 0 EBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2ncccn2)CC1 ZINC000822631579 583815218 /nfs/dbraw/zinc/81/52/18/583815218.db2.gz AHYJDERRXZETSZ-UHFFFAOYSA-N -1 3 339.363 -0.042 20 0 EBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2ncccn2)CC1 ZINC000822631579 583815220 /nfs/dbraw/zinc/81/52/20/583815220.db2.gz AHYJDERRXZETSZ-UHFFFAOYSA-N -1 3 339.363 -0.042 20 0 EBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000822632142 583815606 /nfs/dbraw/zinc/81/56/06/583815606.db2.gz RVZZYQFPVKTHOR-LBPRGKRZSA-N -1 3 342.363 -0.057 20 0 EBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000822632142 583815609 /nfs/dbraw/zinc/81/56/09/583815609.db2.gz RVZZYQFPVKTHOR-LBPRGKRZSA-N -1 3 342.363 -0.057 20 0 EBADHM NC(=O)c1cnn(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822890397 583820858 /nfs/dbraw/zinc/82/08/58/583820858.db2.gz UHHLOCSTRPKDHX-UHFFFAOYSA-N -1 3 326.320 -0.522 20 0 EBADHM NC(=O)c1cnn(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822890397 583820860 /nfs/dbraw/zinc/82/08/60/583820860.db2.gz UHHLOCSTRPKDHX-UHFFFAOYSA-N -1 3 326.320 -0.522 20 0 EBADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000822903457 583821665 /nfs/dbraw/zinc/82/16/65/583821665.db2.gz LJQNDOLQMMAGPY-ZCFIWIBFSA-N -1 3 328.296 -0.938 20 0 EBADHM O=C(CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NCCO ZINC000823001230 583822603 /nfs/dbraw/zinc/82/26/03/583822603.db2.gz ILCYBHBZDSZDCJ-UHFFFAOYSA-N -1 3 339.743 -0.250 20 0 EBADHM O=C(CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NCCO ZINC000823001230 583822606 /nfs/dbraw/zinc/82/26/06/583822606.db2.gz ILCYBHBZDSZDCJ-UHFFFAOYSA-N -1 3 339.743 -0.250 20 0 EBADHM O=C(CNc1ccc(-c2nnn[n-]2)cc1)N1CCN2C(=O)OC[C@H]2C1 ZINC000823009408 583822860 /nfs/dbraw/zinc/82/28/60/583822860.db2.gz HGLNNKPDHKGTTB-GFCCVEGCSA-N -1 3 343.347 -0.058 20 0 EBADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)OC[C@H]2C1 ZINC000823009408 583822862 /nfs/dbraw/zinc/82/28/62/583822862.db2.gz HGLNNKPDHKGTTB-GFCCVEGCSA-N -1 3 343.347 -0.058 20 0 EBADHM O=C(NC[C@@]1(O)CCSC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823171272 583826292 /nfs/dbraw/zinc/82/62/92/583826292.db2.gz SFDGLNDIMKMCKH-AWEZNQCLSA-N -1 3 348.388 -0.211 20 0 EBADHM O=C(NC[C@@]1(O)CCSC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823171272 583826294 /nfs/dbraw/zinc/82/62/94/583826294.db2.gz SFDGLNDIMKMCKH-AWEZNQCLSA-N -1 3 348.388 -0.211 20 0 EBADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCNC1=O ZINC000823308731 583827955 /nfs/dbraw/zinc/82/79/55/583827955.db2.gz IMZCKRLJTVDRIE-SNVBAGLBSA-N -1 3 329.320 -0.800 20 0 EBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCNC1=O ZINC000823308731 583827957 /nfs/dbraw/zinc/82/79/57/583827957.db2.gz IMZCKRLJTVDRIE-SNVBAGLBSA-N -1 3 329.320 -0.800 20 0 EBADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCNC1=O ZINC000823308730 583827966 /nfs/dbraw/zinc/82/79/66/583827966.db2.gz IMZCKRLJTVDRIE-JTQLQIEISA-N -1 3 329.320 -0.800 20 0 EBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCNC1=O ZINC000823308730 583827968 /nfs/dbraw/zinc/82/79/68/583827968.db2.gz IMZCKRLJTVDRIE-JTQLQIEISA-N -1 3 329.320 -0.800 20 0 EBADHM O=C(OCCn1nc2ccccn2c1=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823413183 583829183 /nfs/dbraw/zinc/82/91/83/583829183.db2.gz BZPBUJALJYQUMA-UHFFFAOYSA-N -1 3 340.303 -0.139 20 0 EBADHM O=C(OCCn1nc2ccccn2c1=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823413183 583829185 /nfs/dbraw/zinc/82/91/85/583829185.db2.gz BZPBUJALJYQUMA-UHFFFAOYSA-N -1 3 340.303 -0.139 20 0 EBADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(CCn2cncn2)CC1 ZINC000823465944 583829886 /nfs/dbraw/zinc/82/98/86/583829886.db2.gz CPHMONDNINEMMK-UHFFFAOYSA-N -1 3 342.367 -0.756 20 0 EBADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(CCn2cncn2)CC1 ZINC000823465944 583829888 /nfs/dbraw/zinc/82/98/88/583829888.db2.gz CPHMONDNINEMMK-UHFFFAOYSA-N -1 3 342.367 -0.756 20 0 EBADHM O=C(CN1CC(=O)NC1=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823535661 583831161 /nfs/dbraw/zinc/83/11/61/583831161.db2.gz DCMVBVOBVNCNLT-UHFFFAOYSA-N -1 3 334.267 -0.399 20 0 EBADHM O=C(CN1CC(=O)NC1=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823535661 583831163 /nfs/dbraw/zinc/83/11/63/583831163.db2.gz DCMVBVOBVNCNLT-UHFFFAOYSA-N -1 3 334.267 -0.399 20 0 EBADHM O=C1NC[C@@H]2CN(CCOc3ccccc3-c3nnn[n-]3)CCN12 ZINC000823540666 583831797 /nfs/dbraw/zinc/83/17/97/583831797.db2.gz JEURNMDXXXHILF-LLVKDONJSA-N -1 3 329.364 -0.045 20 0 EBADHM O=C1NC[C@@H]2CN(CCOc3ccccc3-c3nn[n-]n3)CCN12 ZINC000823540666 583831798 /nfs/dbraw/zinc/83/17/98/583831798.db2.gz JEURNMDXXXHILF-LLVKDONJSA-N -1 3 329.364 -0.045 20 0 EBADHM O=C1NC[C@@H]2CN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CCN12 ZINC000823541293 583831851 /nfs/dbraw/zinc/83/18/51/583831851.db2.gz OFYSHEOYOKONIM-SNVBAGLBSA-N -1 3 349.376 -0.735 20 0 EBADHM O=C1NC[C@@H]2CN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CCN12 ZINC000823541293 583831852 /nfs/dbraw/zinc/83/18/52/583831852.db2.gz OFYSHEOYOKONIM-SNVBAGLBSA-N -1 3 349.376 -0.735 20 0 EBADHM O=C1NC[C@H]2CN(CCOc3ccc(-c4nnn[n-]4)cc3)CCN12 ZINC000823542961 583832093 /nfs/dbraw/zinc/83/20/93/583832093.db2.gz ZPJIYIDZFIJXOE-LBPRGKRZSA-N -1 3 329.364 -0.045 20 0 EBADHM O=C1NC[C@H]2CN(CCOc3ccc(-c4nn[n-]n4)cc3)CCN12 ZINC000823542961 583832095 /nfs/dbraw/zinc/83/20/95/583832095.db2.gz ZPJIYIDZFIJXOE-LBPRGKRZSA-N -1 3 329.364 -0.045 20 0 EBADHM O=S(=O)(C1CC1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823557921 583832994 /nfs/dbraw/zinc/83/29/94/583832994.db2.gz VWIGROVPKLOTRI-UHFFFAOYSA-N -1 3 335.393 -0.124 20 0 EBADHM O=S(=O)(C1CC1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823557921 583832997 /nfs/dbraw/zinc/83/29/97/583832997.db2.gz VWIGROVPKLOTRI-UHFFFAOYSA-N -1 3 335.393 -0.124 20 0 EBADHM CC(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000823980386 583839605 /nfs/dbraw/zinc/83/96/05/583839605.db2.gz BVDKPEALYIIXEQ-QMTHXVAHSA-N -1 3 344.375 -0.021 20 0 EBADHM CC(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000823980386 583839606 /nfs/dbraw/zinc/83/96/06/583839606.db2.gz BVDKPEALYIIXEQ-QMTHXVAHSA-N -1 3 344.375 -0.021 20 0 EBADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000824014059 583840045 /nfs/dbraw/zinc/84/00/45/583840045.db2.gz CHGHPBXNUSBNBB-JTQLQIEISA-N -1 3 336.377 -0.064 20 0 EBADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000824014059 583840046 /nfs/dbraw/zinc/84/00/46/583840046.db2.gz CHGHPBXNUSBNBB-JTQLQIEISA-N -1 3 336.377 -0.064 20 0 EBADHM C[C@H](C(N)=O)N(C)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824052020 583840562 /nfs/dbraw/zinc/84/05/62/583840562.db2.gz KIFWPQCRFAWWSR-SECBINFHSA-N -1 3 338.393 -0.554 20 0 EBADHM C[C@H](C(N)=O)N(C)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824052020 583840564 /nfs/dbraw/zinc/84/05/64/583840564.db2.gz KIFWPQCRFAWWSR-SECBINFHSA-N -1 3 338.393 -0.554 20 0 EBADHM CC(C)N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000824301239 583843615 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C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574734192 950127644 /nfs/dbraw/zinc/12/76/44/950127644.db2.gz KNZLKPPNDRXKEF-IUCAKERBSA-N -1 3 347.383 -0.423 20 0 EBADHM CC(C)[C@@H](O)C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574734939 950149123 /nfs/dbraw/zinc/14/91/23/950149123.db2.gz VPEVBHQDAGDAKO-BXKDBHETSA-N -1 3 349.395 -0.212 20 0 EBADHM CC(C)[C@@H](O)C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574734939 950149138 /nfs/dbraw/zinc/14/91/38/950149138.db2.gz VPEVBHQDAGDAKO-BXKDBHETSA-N -1 3 349.395 -0.212 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1ncccc1-c1nnn[n-]1 ZINC001574983645 950235410 /nfs/dbraw/zinc/23/54/10/950235410.db2.gz QAKPQJWDCHDFFT-QMMMGPOBSA-N -1 3 341.335 -0.425 20 0 EBADHM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1ncccc1-c1nn[n-]n1 ZINC001574983645 950235428 /nfs/dbraw/zinc/23/54/28/950235428.db2.gz QAKPQJWDCHDFFT-QMMMGPOBSA-N -1 3 341.335 -0.425 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CCCO1 ZINC001574983741 950237042 /nfs/dbraw/zinc/23/70/42/950237042.db2.gz RYQJCGXDTSFGLK-BXKDBHETSA-N -1 3 347.379 -0.144 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1CCCO1 ZINC001574983741 950237055 /nfs/dbraw/zinc/23/70/55/950237055.db2.gz RYQJCGXDTSFGLK-BXKDBHETSA-N -1 3 347.379 -0.144 20 0 EBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CCCO1 ZINC001574983745 950238936 /nfs/dbraw/zinc/23/89/36/950238936.db2.gz RYQJCGXDTSFGLK-JOYOIKCWSA-N -1 3 347.379 -0.144 20 0 EBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1CCCO1 ZINC001574983745 950238959 /nfs/dbraw/zinc/23/89/59/950238959.db2.gz RYQJCGXDTSFGLK-JOYOIKCWSA-N -1 3 347.379 -0.144 20 0 EBADHM CC(C)(C)NC(=O)CN1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573855211 950360642 /nfs/dbraw/zinc/36/06/42/950360642.db2.gz LUEQPPUYOJRZRW-UHFFFAOYSA-N -1 3 346.395 -0.477 20 0 EBADHM CC(C)(C)NC(=O)CN1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573855211 950360656 /nfs/dbraw/zinc/36/06/56/950360656.db2.gz LUEQPPUYOJRZRW-UHFFFAOYSA-N -1 3 346.395 -0.477 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001574991570 950412272 /nfs/dbraw/zinc/41/22/72/950412272.db2.gz OLFMOYQONOVQHZ-SECBINFHSA-N -1 3 347.379 -0.266 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001574991570 950412289 /nfs/dbraw/zinc/41/22/89/950412289.db2.gz OLFMOYQONOVQHZ-SECBINFHSA-N -1 3 347.379 -0.266 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001574992089 950433434 /nfs/dbraw/zinc/43/34/34/950433434.db2.gz WWUBHSYYFOPGML-RKDXNWHRSA-N -1 3 333.352 -0.534 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001574992089 950433446 /nfs/dbraw/zinc/43/34/46/950433446.db2.gz WWUBHSYYFOPGML-RKDXNWHRSA-N -1 3 333.352 -0.534 20 0 EBADHM CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)CC1 ZINC001575605264 950456987 /nfs/dbraw/zinc/45/69/87/950456987.db2.gz LOFDUVTWBGQPSZ-MNOVXSKESA-N -1 3 345.363 -0.704 20 0 EBADHM CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)CC1 ZINC001575605264 950457001 /nfs/dbraw/zinc/45/70/01/950457001.db2.gz LOFDUVTWBGQPSZ-MNOVXSKESA-N -1 3 345.363 -0.704 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccn[nH]1 ZINC001574993538 950462801 /nfs/dbraw/zinc/46/28/01/950462801.db2.gz KXEKULGLSKWORK-SSDOTTSWSA-N -1 3 329.324 -0.534 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccn[nH]1 ZINC001574993538 950462817 /nfs/dbraw/zinc/46/28/17/950462817.db2.gz KXEKULGLSKWORK-SSDOTTSWSA-N -1 3 329.324 -0.534 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1csnn1 ZINC001574994839 950491800 /nfs/dbraw/zinc/49/18/00/950491800.db2.gz AEZPVQUOWSMZEB-SSDOTTSWSA-N -1 3 333.381 -0.046 20 0 EBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1csnn1 ZINC001574994839 950491812 /nfs/dbraw/zinc/49/18/12/950491812.db2.gz AEZPVQUOWSMZEB-SSDOTTSWSA-N -1 3 333.381 -0.046 20 0 EBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1cnn(C)n1 ZINC001574753640 950534661 /nfs/dbraw/zinc/53/46/61/950534661.db2.gz GFJSIDQEHJCVRX-SECBINFHSA-N -1 3 344.383 -0.426 20 0 EBADHM CCN1C[C@H](S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)CC1=O ZINC001589742859 950627402 /nfs/dbraw/zinc/62/74/02/950627402.db2.gz UEWAYGOHNHQXGB-LLVKDONJSA-N -1 3 333.410 -0.924 20 0 EBADHM CC(C)(C)OCC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573872094 950630863 /nfs/dbraw/zinc/63/08/63/950630863.db2.gz YXOJQEPOWMDSPD-LLVKDONJSA-N -1 3 349.395 -0.034 20 0 EBADHM CC(C)(C)OCC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573872094 950630880 /nfs/dbraw/zinc/63/08/80/950630880.db2.gz YXOJQEPOWMDSPD-LLVKDONJSA-N -1 3 349.395 -0.034 20 0 EBADHM C[C@@H](CNC(=O)c1ccn[nH]1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575005445 950685845 /nfs/dbraw/zinc/68/58/45/950685845.db2.gz FHJRZHRKAMLYPB-QMMMGPOBSA-N -1 3 328.340 -0.366 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1CCOC1 ZINC001575007933 950733586 /nfs/dbraw/zinc/73/35/86/950733586.db2.gz BFJHRHKGELTKPU-VHSXEESVSA-N -1 3 347.379 -0.287 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1CCOC1 ZINC001575007933 950733599 /nfs/dbraw/zinc/73/35/99/950733599.db2.gz BFJHRHKGELTKPU-VHSXEESVSA-N -1 3 347.379 -0.287 20 0 EBADHM C[C@@H](CN(C)C(=O)c1ncc[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574765201 950776671 /nfs/dbraw/zinc/77/66/71/950776671.db2.gz GOEFAYLNYUESLK-QMMMGPOBSA-N -1 3 343.351 -0.192 20 0 EBADHM C[C@@H](CN(C)C(=O)c1ncc[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574765201 950776687 /nfs/dbraw/zinc/77/66/87/950776687.db2.gz GOEFAYLNYUESLK-QMMMGPOBSA-N -1 3 343.351 -0.192 20 0 EBADHM C[C@H](CN(C)CC(=O)N1CCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765952 950801561 /nfs/dbraw/zinc/80/15/61/950801561.db2.gz GUCVCOUCMVWSTO-SNVBAGLBSA-N -1 3 346.395 -0.523 20 0 EBADHM C[C@H](CN(C)C(=O)c1nnn(C)n1)Nc1ncccc1-c1nnn[n-]1 ZINC001574766827 950830263 /nfs/dbraw/zinc/83/02/63/950830263.db2.gz LEWMREHYGUGYPL-MRVPVSSYSA-N -1 3 343.355 -0.642 20 0 EBADHM C[C@H](CN(C)C(=O)c1nnn(C)n1)Nc1ncccc1-c1nn[n-]n1 ZINC001574766827 950830282 /nfs/dbraw/zinc/83/02/82/950830282.db2.gz LEWMREHYGUGYPL-MRVPVSSYSA-N -1 3 343.355 -0.642 20 0 EBADHM C[C@@H](CN(C)CC(=O)NC1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767773 950868343 /nfs/dbraw/zinc/86/83/43/950868343.db2.gz QJMOOHSRTNBESQ-VIFPVBQESA-N -1 3 346.395 -0.477 20 0 EBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1cnn(C)n1 ZINC001575012290 950886112 /nfs/dbraw/zinc/88/61/12/950886112.db2.gz YENKKZQORJTLKW-VIFPVBQESA-N -1 3 344.383 -0.426 20 0 EBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1cnn(C)n1 ZINC001575012290 950886131 /nfs/dbraw/zinc/88/61/31/950886131.db2.gz YENKKZQORJTLKW-VIFPVBQESA-N -1 3 344.383 -0.426 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cccnn1 ZINC001575014527 950904048 /nfs/dbraw/zinc/90/40/48/950904048.db2.gz GTXOFTYQIFRQHL-MRVPVSSYSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cccnn1 ZINC001575014527 950904068 /nfs/dbraw/zinc/90/40/68/950904068.db2.gz GTXOFTYQIFRQHL-MRVPVSSYSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCc1csnn1 ZINC001575017812 951012017 /nfs/dbraw/zinc/01/20/17/951012017.db2.gz NVCVUJGBXSYALB-ZETCQYMHSA-N -1 3 333.381 -0.046 20 0 EBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1csnn1 ZINC001575017812 951012031 /nfs/dbraw/zinc/01/20/31/951012031.db2.gz NVCVUJGBXSYALB-ZETCQYMHSA-N -1 3 333.381 -0.046 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccncn1 ZINC001575019533 951040783 /nfs/dbraw/zinc/04/07/83/951040783.db2.gz VDECHHCKRADGKA-MRVPVSSYSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccncn1 ZINC001575019533 951040799 /nfs/dbraw/zinc/04/07/99/951040799.db2.gz VDECHHCKRADGKA-MRVPVSSYSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@@H](CNC(=O)c1cccnn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575031691 951200275 /nfs/dbraw/zinc/20/02/75/951200275.db2.gz HASSEBTZMSCTLL-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@@H](CNC(=O)c1cccnn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575031691 951200287 /nfs/dbraw/zinc/20/02/87/951200287.db2.gz HASSEBTZMSCTLL-QMMMGPOBSA-N -1 3 341.335 -0.467 20 0 EBADHM C[C@H](CNC(=O)c1ccon1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575038142 951315154 /nfs/dbraw/zinc/31/51/54/951315154.db2.gz GFVHRJDRVCHXKV-SSDOTTSWSA-N -1 3 330.308 -0.269 20 0 EBADHM C[C@H](CNC(=O)c1ccon1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575038142 951315164 /nfs/dbraw/zinc/31/51/64/951315164.db2.gz GFVHRJDRVCHXKV-SSDOTTSWSA-N -1 3 330.308 -0.269 20 0 EBADHM C[C@H](CNC(=O)c1cn(C)nn1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575041955 951352112 /nfs/dbraw/zinc/35/21/12/951352112.db2.gz DVMHCFAZWZLWLT-MRVPVSSYSA-N -1 3 328.340 -0.379 20 0 EBADHM C[C@H](CNC(=O)c1cn(C)nn1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575041955 951352124 /nfs/dbraw/zinc/35/21/24/951352124.db2.gz DVMHCFAZWZLWLT-MRVPVSSYSA-N -1 3 328.340 -0.379 20 0 EBADHM C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575041917 951353055 /nfs/dbraw/zinc/35/30/55/951353055.db2.gz COGCKUPATITWSO-SECBINFHSA-N -1 3 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