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/nfs/dbraw/zinc/80/21/24/536802124.db2.gz QOFKQMWNNIJESV-PELKAZGASA-N -1 3 360.363 -0.077 20 0 FBADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(N)=O)O2)cc1F ZINC000277928548 536801892 /nfs/dbraw/zinc/80/18/92/536801892.db2.gz QOFKQMWNNIJESV-PRHODGIISA-N -1 3 360.363 -0.077 20 0 FBADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C(N)=O)O2)cc1F ZINC000277928551 244121738 /nfs/dbraw/zinc/12/17/38/244121738.db2.gz QOFKQMWNNIJESV-QPUJVOFHSA-N -1 3 360.363 -0.077 20 0 FBADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(N)=O)O2)cc1F ZINC000277928554 244121907 /nfs/dbraw/zinc/12/19/07/244121907.db2.gz QOFKQMWNNIJESV-UFBFGSQYSA-N -1 3 360.363 -0.077 20 0 FBADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCNS(C)(=O)=O)cc1F ZINC000277963709 244122075 /nfs/dbraw/zinc/12/20/75/244122075.db2.gz UMASZBIPLTZMMZ-UHFFFAOYSA-N -1 3 368.408 -0.170 20 0 FBADHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C2=O)n(C)n1 ZINC000277964084 244123590 /nfs/dbraw/zinc/12/35/90/244123590.db2.gz XDCHKXXCMOFNBE-NEPJUHHUSA-N -1 3 371.463 -0.380 20 0 FBADHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C2=O)n(C)n1 ZINC000277964090 244123066 /nfs/dbraw/zinc/12/30/66/244123066.db2.gz XDCHKXXCMOFNBE-NWDGAFQWSA-N -1 3 371.463 -0.380 20 0 FBADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1C[C@H](O)[C@@H](O)C1 ZINC000277966565 244126826 /nfs/dbraw/zinc/12/68/26/244126826.db2.gz HMVATOCZTSHZNY-RYUDHWBXSA-N -1 3 359.379 -0.164 20 0 FBADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1C[C@@H](O)[C@@H](O)C1 ZINC000277966568 244124903 /nfs/dbraw/zinc/12/49/03/244124903.db2.gz HMVATOCZTSHZNY-TXEJJXNPSA-N -1 3 359.379 -0.164 20 0 FBADHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1C[C@@H](O)[C@H](O)C1 ZINC000277966572 244126657 /nfs/dbraw/zinc/12/66/57/244126657.db2.gz HMVATOCZTSHZNY-VXGBXAGGSA-N -1 3 359.379 -0.164 20 0 FBADHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C2=O)n(C)n1 ZINC000277967094 244126930 /nfs/dbraw/zinc/12/69/30/244126930.db2.gz XDCHKXXCMOFNBE-RYUDHWBXSA-N -1 3 371.463 -0.380 20 0 FBADHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C2=O)n(C)n1 ZINC000277967101 244124932 /nfs/dbraw/zinc/12/49/32/244124932.db2.gz XDCHKXXCMOFNBE-VXGBXAGGSA-N -1 3 371.463 -0.380 20 0 FBADHM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000277998946 244126135 /nfs/dbraw/zinc/12/61/35/244126135.db2.gz XMSHAIIYXVEMBR-UHFFFAOYSA-N -1 3 368.408 -0.170 20 0 FBADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCNS(C)(=O)=O)cc1F ZINC000278014296 244124291 /nfs/dbraw/zinc/12/42/91/244124291.db2.gz YVDXVSKPCYZLOD-UHFFFAOYSA-N -1 3 354.381 -0.560 20 0 FBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@]1(CCO)CCOC1 ZINC000278028879 244125628 /nfs/dbraw/zinc/12/56/28/244125628.db2.gz HBCJXEBNQPYYRI-GFCCVEGCSA-N -1 3 362.180 -0.631 20 0 FBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@]1(CCO)CCOC1 ZINC000278028881 244125170 /nfs/dbraw/zinc/12/51/70/244125170.db2.gz HBCJXEBNQPYYRI-LBPRGKRZSA-N -1 3 362.180 -0.631 20 0 FBADHM C[C@H]1COCC[C@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000278032257 244126172 /nfs/dbraw/zinc/12/61/72/244126172.db2.gz WYSSZEVTYCXFCV-GZMMTYOYSA-N -1 3 354.388 -0.263 20 0 FBADHM C[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000278032264 244126575 /nfs/dbraw/zinc/12/65/75/244126575.db2.gz WYSSZEVTYCXFCV-KCJUWKMLSA-N -1 3 354.388 -0.263 20 0 FBADHM C[C@H]1COCC[C@@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000278032269 244124796 /nfs/dbraw/zinc/12/47/96/244124796.db2.gz WYSSZEVTYCXFCV-KWQFWETISA-N -1 3 354.388 -0.263 20 0 FBADHM C[C@@H]1COCC[C@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000278032275 244124486 /nfs/dbraw/zinc/12/44/86/244124486.db2.gz WYSSZEVTYCXFCV-LDYMZIIASA-N -1 3 354.388 -0.263 20 0 FBADHM O=C1[C@H]2[C@@H](O)CCCN2C(=O)N1CC[N-]S(=O)(=O)c1cccs1 ZINC000278145023 244129910 /nfs/dbraw/zinc/12/99/10/244129910.db2.gz PVFVNGVBYUJUCX-GXSJLCMTSA-N -1 3 359.429 -0.186 20 0 FBADHM O=C1[C@@H]2[C@H](O)CCCN2C(=O)N1CC[N-]S(=O)(=O)c1cccs1 ZINC000278145026 244129155 /nfs/dbraw/zinc/12/91/55/244129155.db2.gz PVFVNGVBYUJUCX-KOLCDFICSA-N -1 3 359.429 -0.186 20 0 FBADHM O=C1[C@H]2[C@H](O)CCCN2C(=O)N1CC[N-]S(=O)(=O)c1cccs1 ZINC000278145029 244129026 /nfs/dbraw/zinc/12/90/26/244129026.db2.gz PVFVNGVBYUJUCX-MWLCHTKSSA-N -1 3 359.429 -0.186 20 0 FBADHM O=C1[C@@H]2[C@@H](O)CCCN2C(=O)N1CC[N-]S(=O)(=O)c1cccs1 ZINC000278145031 244128984 /nfs/dbraw/zinc/12/89/84/244128984.db2.gz PVFVNGVBYUJUCX-ONGXEEELSA-N -1 3 359.429 -0.186 20 0 FBADHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]CC(=O)N(C)CCc1ccccn1 ZINC000278151511 244130010 /nfs/dbraw/zinc/13/00/10/244130010.db2.gz CJQLYWPGJOWQHK-GFCCVEGCSA-N -1 3 356.448 -0.521 20 0 FBADHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]CC(=O)N(C)CCc1ccccn1 ZINC000278151516 244128028 /nfs/dbraw/zinc/12/80/28/244128028.db2.gz CJQLYWPGJOWQHK-LBPRGKRZSA-N -1 3 356.448 -0.521 20 0 FBADHM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000278183796 244128597 /nfs/dbraw/zinc/12/85/97/244128597.db2.gz HCEUTOBAQOWANL-GFCCVEGCSA-N -1 3 369.443 -0.044 20 0 FBADHM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000278183798 244128604 /nfs/dbraw/zinc/12/86/04/244128604.db2.gz HCEUTOBAQOWANL-LBPRGKRZSA-N -1 3 369.443 -0.044 20 0 FBADHM C[C@H](C(=O)N(C)C)S(=O)(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000278187049 244130503 /nfs/dbraw/zinc/13/05/03/244130503.db2.gz HONXQPITMXVIAM-LLVKDONJSA-N -1 3 357.432 -0.092 20 0 FBADHM C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000278187055 244130041 /nfs/dbraw/zinc/13/00/41/244130041.db2.gz HONXQPITMXVIAM-NSHDSACASA-N -1 3 357.432 -0.092 20 0 FBADHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C2=O)n(C)n1 ZINC000278202620 244130026 /nfs/dbraw/zinc/13/00/26/244130026.db2.gz JDWJGLZWTJEGAG-GHMZBOCLSA-N -1 3 357.436 -0.770 20 0 FBADHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C2=O)n(C)n1 ZINC000278202622 244130051 /nfs/dbraw/zinc/13/00/51/244130051.db2.gz JDWJGLZWTJEGAG-MNOVXSKESA-N -1 3 357.436 -0.770 20 0 FBADHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C2=O)n(C)n1 ZINC000278202624 244129595 /nfs/dbraw/zinc/12/95/95/244129595.db2.gz JDWJGLZWTJEGAG-QWRGUYRKSA-N -1 3 357.436 -0.770 20 0 FBADHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C2=O)n(C)n1 ZINC000278202628 244130436 /nfs/dbraw/zinc/13/04/36/244130436.db2.gz JDWJGLZWTJEGAG-WDEREUQCSA-N -1 3 357.436 -0.770 20 0 FBADHM CC(=O)N1CCN(C(=O)CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)CC1 ZINC000278216589 244130157 /nfs/dbraw/zinc/13/01/57/244130157.db2.gz PTKZULZJBUJOHD-UHFFFAOYSA-N -1 3 357.436 -0.433 20 0 FBADHM CC(=O)N1CCN(C(=O)CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)CC1 ZINC000278216589 244130153 /nfs/dbraw/zinc/13/01/53/244130153.db2.gz PTKZULZJBUJOHD-UHFFFAOYSA-N -1 3 357.436 -0.433 20 0 FBADHM CC(C)(C)c1n[n-]c(S(=O)(=O)CC(=O)NCC(=O)N2CCCC2)n1 ZINC000278237528 244131013 /nfs/dbraw/zinc/13/10/13/244131013.db2.gz SQLNXUVKDZXAEW-UHFFFAOYSA-N -1 3 357.436 -0.386 20 0 FBADHM CC(C)(C)c1nnc(S(=O)(=O)CC(=O)NCC(=O)N2CCCC2)[n-]1 ZINC000278237528 244131007 /nfs/dbraw/zinc/13/10/07/244131007.db2.gz SQLNXUVKDZXAEW-UHFFFAOYSA-N -1 3 357.436 -0.386 20 0 FBADHM C[C@H](C(=O)N(C)C)S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000278249182 244133038 /nfs/dbraw/zinc/13/30/38/244133038.db2.gz PAGODHZRZRUFBL-SECBINFHSA-N -1 3 369.490 -0.578 20 0 FBADHM C[C@@H](C(=O)N(C)C)S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000278249187 244131338 /nfs/dbraw/zinc/13/13/38/244131338.db2.gz PAGODHZRZRUFBL-VIFPVBQESA-N -1 3 369.490 -0.578 20 0 FBADHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)[C@H](C)C(=O)N(C)C)s1 ZINC000278251321 536316337 /nfs/dbraw/zinc/31/63/37/536316337.db2.gz PHBUHFABZIGYDJ-MRVPVSSYSA-N -1 3 369.490 -0.448 20 0 FBADHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H](C)C(=O)N(C)C)s1 ZINC000278251323 536316882 /nfs/dbraw/zinc/31/68/82/536316882.db2.gz PHBUHFABZIGYDJ-QMMMGPOBSA-N -1 3 369.490 -0.448 20 0 FBADHM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000278259337 244132412 /nfs/dbraw/zinc/13/24/12/244132412.db2.gz QHYMXBMXQZHJJQ-GFCCVEGCSA-N -1 3 369.443 -0.044 20 0 FBADHM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000278259342 244131865 /nfs/dbraw/zinc/13/18/65/244131865.db2.gz QHYMXBMXQZHJJQ-LBPRGKRZSA-N -1 3 369.443 -0.044 20 0 FBADHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000278261423 244132714 /nfs/dbraw/zinc/13/27/14/244132714.db2.gz QOYXUBMHMQACDH-GHMZBOCLSA-N -1 3 357.436 -0.688 20 0 FBADHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000278261426 244132628 /nfs/dbraw/zinc/13/26/28/244132628.db2.gz QOYXUBMHMQACDH-MNOVXSKESA-N -1 3 357.436 -0.688 20 0 FBADHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000278261431 244133590 /nfs/dbraw/zinc/13/35/90/244133590.db2.gz QOYXUBMHMQACDH-QWRGUYRKSA-N -1 3 357.436 -0.688 20 0 FBADHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000278261434 244131509 /nfs/dbraw/zinc/13/15/09/244131509.db2.gz QOYXUBMHMQACDH-WDEREUQCSA-N -1 3 357.436 -0.688 20 0 FBADHM Cc1cc(C)n2nc(S(=O)(=O)CCCOC(=O)[N-]C(N)=O)nc2n1 ZINC000278289552 244131128 /nfs/dbraw/zinc/13/11/28/244131128.db2.gz ZUQNGGJVGNGZSW-UHFFFAOYSA-N 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/nfs/dbraw/zinc/27/43/92/244274392.db2.gz CCOWVJNWDHKUIB-VIFPVBQESA-N -1 3 352.372 -0.621 20 0 FBADHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCN(CCO)CC1 ZINC000282907999 244275249 /nfs/dbraw/zinc/27/52/49/244275249.db2.gz HPLWWWJGRGCZNO-UHFFFAOYSA-N -1 3 362.361 -0.376 20 0 FBADHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCN(CCO)CC1 ZINC000282907999 244275242 /nfs/dbraw/zinc/27/52/42/244275242.db2.gz HPLWWWJGRGCZNO-UHFFFAOYSA-N -1 3 362.361 -0.376 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)c1ccc2c(c1)CCN2C=O ZINC000282914290 244275682 /nfs/dbraw/zinc/27/56/82/244275682.db2.gz FXRRZKFXULWZNE-JTQLQIEISA-N -1 3 351.384 -0.205 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)c1ccc2c(c1)CCN2C=O ZINC000282914292 244274419 /nfs/dbraw/zinc/27/44/19/244274419.db2.gz FXRRZKFXULWZNE-SNVBAGLBSA-N -1 3 351.384 -0.205 20 0 FBADHM CS(=O)(=O)NCCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000282918759 244275897 /nfs/dbraw/zinc/27/58/97/244275897.db2.gz CBOFXDNHKBFTIR-UHFFFAOYSA-N -1 3 370.362 -0.847 20 0 FBADHM CS(=O)(=O)NCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000282918759 244275891 /nfs/dbraw/zinc/27/58/91/244275891.db2.gz CBOFXDNHKBFTIR-UHFFFAOYSA-N -1 3 370.362 -0.847 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)NCCOc1cccc(C)c1 ZINC000282921789 244274803 /nfs/dbraw/zinc/27/48/03/244274803.db2.gz GHFWAAKCOGMZLW-GFCCVEGCSA-N -1 3 355.416 -0.103 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)NCCOc1cccc(C)c1 ZINC000282921792 244275159 /nfs/dbraw/zinc/27/51/59/244275159.db2.gz GHFWAAKCOGMZLW-LBPRGKRZSA-N -1 3 355.416 -0.103 20 0 FBADHM CC(=O)NCc1ccc(C(=O)CN2C(C)=C([O-])N(C)S2(=O)=O)s1 ZINC000282932440 534492438 /nfs/dbraw/zinc/49/24/38/534492438.db2.gz GYOMFFAIWLGWLE-MRVPVSSYSA-N -1 3 359.429 -0.026 20 0 FBADHM CC(=O)NCc1ccc(C(=O)CN2C(C)=C([O-])N(C)S2(=O)=O)s1 ZINC000282932442 534493101 /nfs/dbraw/zinc/49/31/01/534493101.db2.gz GYOMFFAIWLGWLE-QMMMGPOBSA-N -1 3 359.429 -0.026 20 0 FBADHM COCc1ccccc1CNC(=O)CN1C(C)=C([O-])N(C)S1(=O)=O ZINC000282943766 244275137 /nfs/dbraw/zinc/27/51/37/244275137.db2.gz HLWRKLSCEGLLQA-LLVKDONJSA-N -1 3 355.416 -0.144 20 0 FBADHM COCc1ccccc1CNC(=O)CN1C(C)=C([O-])N(C)S1(=O)=O ZINC000282943770 244276045 /nfs/dbraw/zinc/27/60/45/244276045.db2.gz HLWRKLSCEGLLQA-NSHDSACASA-N -1 3 355.416 -0.144 20 0 FBADHM COC(=O)c1cccc(NC(=O)CN2C(C)=C([O-])N(C)S2(=O)=O)c1 ZINC000282960004 244272944 /nfs/dbraw/zinc/27/29/44/244272944.db2.gz ILGGRKFVBDTRGZ-SECBINFHSA-N -1 3 355.372 -0.181 20 0 FBADHM COC(=O)c1cccc(NC(=O)CN2C(C)=C([O-])N(C)S2(=O)=O)c1 ZINC000282960008 244276196 /nfs/dbraw/zinc/27/61/96/244276196.db2.gz ILGGRKFVBDTRGZ-VIFPVBQESA-N -1 3 355.372 -0.181 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)NC(=O)NCc1ccccc1 ZINC000282972645 244277568 /nfs/dbraw/zinc/27/75/68/244277568.db2.gz JAOYDLCNIISWLE-JTQLQIEISA-N -1 3 354.388 -0.580 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)NC(=O)NCc1ccccc1 ZINC000282972648 244277767 /nfs/dbraw/zinc/27/77/67/244277767.db2.gz JAOYDLCNIISWLE-SNVBAGLBSA-N -1 3 354.388 -0.580 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000282972702 244277194 /nfs/dbraw/zinc/27/71/94/244277194.db2.gz JBMGZOPTQDNACZ-JTQLQIEISA-N -1 3 368.415 -0.266 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000282972707 244278619 /nfs/dbraw/zinc/27/86/19/244278619.db2.gz JBMGZOPTQDNACZ-SNVBAGLBSA-N -1 3 368.415 -0.266 20 0 FBADHM COCCNC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000282975283 244277452 /nfs/dbraw/zinc/27/74/52/244277452.db2.gz GNLWMDXBZHVSLD-UHFFFAOYSA-N -1 3 364.333 -0.634 20 0 FBADHM COCCNC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000282975283 244277447 /nfs/dbraw/zinc/27/74/47/244277447.db2.gz GNLWMDXBZHVSLD-UHFFFAOYSA-N -1 3 364.333 -0.634 20 0 FBADHM COC[C@H](O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000282986531 244277121 /nfs/dbraw/zinc/27/71/21/244277121.db2.gz BZTMOEKHBHWKBZ-SNVBAGLBSA-N -1 3 352.434 -0.778 20 0 FBADHM COCCN1CN(C(=O)C(=O)[N-]c2sccc2C(=O)OC)CC1=O ZINC000282989551 536880398 /nfs/dbraw/zinc/88/03/98/536880398.db2.gz LACNJLKCFVHCAA-UHFFFAOYSA-N -1 3 355.372 -0.252 20 0 FBADHM NC(=O)[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CCO1 ZINC000282998514 244278740 /nfs/dbraw/zinc/27/87/40/244278740.db2.gz KKUXIGGQMJKBOK-GFCCVEGCSA-N -1 3 362.317 -0.800 20 0 FBADHM NC(=O)[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CCO1 ZINC000282998514 244278734 /nfs/dbraw/zinc/27/87/34/244278734.db2.gz KKUXIGGQMJKBOK-GFCCVEGCSA-N -1 3 362.317 -0.800 20 0 FBADHM NC(=O)[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CCO1 ZINC000282998516 244276874 /nfs/dbraw/zinc/27/68/74/244276874.db2.gz KKUXIGGQMJKBOK-LBPRGKRZSA-N -1 3 362.317 -0.800 20 0 FBADHM NC(=O)[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CCO1 ZINC000282998516 244276869 /nfs/dbraw/zinc/27/68/69/244276869.db2.gz KKUXIGGQMJKBOK-LBPRGKRZSA-N -1 3 362.317 -0.800 20 0 FBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCOC(=O)C1CC1 ZINC000283005465 244277141 /nfs/dbraw/zinc/27/71/41/244277141.db2.gz VXUQDQLMNBAFET-UHFFFAOYSA-N -1 3 360.164 -0.219 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000283020172 244277245 /nfs/dbraw/zinc/27/72/45/244277245.db2.gz MDTGDZRPIULZLS-JTQLQIEISA-N -1 3 361.445 -0.156 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000283020175 244279158 /nfs/dbraw/zinc/27/91/58/244279158.db2.gz MDTGDZRPIULZLS-SNVBAGLBSA-N -1 3 361.445 -0.156 20 0 FBADHM COC(=O)c1ccc(NC(=O)CN2C(C)=C([O-])N(C)S2(=O)=O)cc1 ZINC000283027333 536744830 /nfs/dbraw/zinc/74/48/30/536744830.db2.gz MQIHBARKBPOXMZ-SECBINFHSA-N -1 3 355.372 -0.181 20 0 FBADHM COC(=O)c1ccc(NC(=O)CN2C(C)=C([O-])N(C)S2(=O)=O)cc1 ZINC000283027336 536745097 /nfs/dbraw/zinc/74/50/97/536745097.db2.gz MQIHBARKBPOXMZ-VIFPVBQESA-N -1 3 355.372 -0.181 20 0 FBADHM CN(CCS(C)(=O)=O)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000283027876 244278591 /nfs/dbraw/zinc/27/85/91/244278591.db2.gz KHQRUKRCCVXKDS-UHFFFAOYSA-N -1 3 369.374 -0.010 20 0 FBADHM CN(CCS(C)(=O)=O)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000283027876 244278588 /nfs/dbraw/zinc/27/85/88/244278588.db2.gz KHQRUKRCCVXKDS-UHFFFAOYSA-N -1 3 369.374 -0.010 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000283031166 244278127 /nfs/dbraw/zinc/27/81/27/244278127.db2.gz MXSRSSDCWXAWNH-MRVPVSSYSA-N -1 3 353.356 -0.393 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000283031169 244277401 /nfs/dbraw/zinc/27/74/01/244277401.db2.gz MXSRSSDCWXAWNH-QMMMGPOBSA-N -1 3 353.356 -0.393 20 0 FBADHM O=C(N[C@H]1CCS(=O)(=O)C1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000283049291 244281577 /nfs/dbraw/zinc/28/15/77/244281577.db2.gz SMFVBSGETKFEAS-JTQLQIEISA-N -1 3 367.358 -0.209 20 0 FBADHM O=C(N[C@H]1CCS(=O)(=O)C1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000283049291 244281568 /nfs/dbraw/zinc/28/15/68/244281568.db2.gz SMFVBSGETKFEAS-JTQLQIEISA-N -1 3 367.358 -0.209 20 0 FBADHM O=C(N[C@@H]1CCS(=O)(=O)C1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000283049298 244280736 /nfs/dbraw/zinc/28/07/36/244280736.db2.gz SMFVBSGETKFEAS-SNVBAGLBSA-N -1 3 367.358 -0.209 20 0 FBADHM O=C(N[C@@H]1CCS(=O)(=O)C1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000283049298 244280734 /nfs/dbraw/zinc/28/07/34/244280734.db2.gz SMFVBSGETKFEAS-SNVBAGLBSA-N -1 3 367.358 -0.209 20 0 FBADHM CS(=O)(=O)CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000283065621 244281712 /nfs/dbraw/zinc/28/17/12/244281712.db2.gz PHOYGTAKYRUPDX-UHFFFAOYSA-N -1 3 355.347 -0.352 20 0 FBADHM CS(=O)(=O)CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000283065621 244281704 /nfs/dbraw/zinc/28/17/04/244281704.db2.gz PHOYGTAKYRUPDX-UHFFFAOYSA-N -1 3 355.347 -0.352 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000283097881 244281154 /nfs/dbraw/zinc/28/11/54/244281154.db2.gz RABZYCAVIJZFPR-SECBINFHSA-N -1 3 355.372 -0.561 20 0 FBADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000283097886 244281360 /nfs/dbraw/zinc/28/13/60/244281360.db2.gz RABZYCAVIJZFPR-VIFPVBQESA-N -1 3 355.372 -0.561 20 0 FBADHM CC(=O)Nc1ccc(NC(=O)CN2C(C)=C([O-])N(C)S2(=O)=O)cc1 ZINC000283107963 244286418 /nfs/dbraw/zinc/28/64/18/244286418.db2.gz RTSJQSAAFPSWHC-SECBINFHSA-N -1 3 354.388 -0.009 20 0 FBADHM CC(=O)Nc1ccc(NC(=O)CN2C(C)=C([O-])N(C)S2(=O)=O)cc1 ZINC000283107966 244283841 /nfs/dbraw/zinc/28/38/41/244283841.db2.gz RTSJQSAAFPSWHC-VIFPVBQESA-N -1 3 354.388 -0.009 20 0 FBADHM NC(=O)N1CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC000283135920 244283442 /nfs/dbraw/zinc/28/34/42/244283442.db2.gz RQFMUQRWHKWEKX-JTQLQIEISA-N -1 3 361.333 -0.243 20 0 FBADHM NC(=O)N1CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC000283135920 244283434 /nfs/dbraw/zinc/28/34/34/244283434.db2.gz RQFMUQRWHKWEKX-JTQLQIEISA-N -1 3 361.333 -0.243 20 0 FBADHM NC(=O)N1CC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC000283135925 244285681 /nfs/dbraw/zinc/28/56/81/244285681.db2.gz RQFMUQRWHKWEKX-SNVBAGLBSA-N -1 3 361.333 -0.243 20 0 FBADHM NC(=O)N1CC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC000283135925 244285675 /nfs/dbraw/zinc/28/56/75/244285675.db2.gz 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244899175 /nfs/dbraw/zinc/89/91/75/244899175.db2.gz SAEZIRLKLMPKNJ-SECBINFHSA-N -1 3 354.388 -0.309 20 0 FBADHM COC[C@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000332015454 484373062 /nfs/dbraw/zinc/37/30/62/484373062.db2.gz SAEZIRLKLMPKNJ-VIFPVBQESA-N -1 3 354.388 -0.309 20 0 FBADHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@H](CCO)C3)cnc21 ZINC000332046224 484374562 /nfs/dbraw/zinc/37/45/62/484374562.db2.gz YFBFSCDQRGSXDP-SECBINFHSA-N -1 3 354.388 -0.573 20 0 FBADHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@@H](CCO)C3)cnc21 ZINC000332046227 484374758 /nfs/dbraw/zinc/37/47/58/484374758.db2.gz YFBFSCDQRGSXDP-VIFPVBQESA-N -1 3 354.388 -0.573 20 0 FBADHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)cn1 ZINC000332079221 484378507 /nfs/dbraw/zinc/37/85/07/484378507.db2.gz IAUPIDOQHRQAMQ-GFCCVEGCSA-N -1 3 352.416 -0.173 20 0 FBADHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCCC3=O)C2)cn1 ZINC000332079225 484379021 /nfs/dbraw/zinc/37/90/21/484379021.db2.gz IAUPIDOQHRQAMQ-LBPRGKRZSA-N -1 3 352.416 -0.173 20 0 FBADHM O=C(CNC(=O)c1cccc(Cl)c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332082786 484378699 /nfs/dbraw/zinc/37/86/99/484378699.db2.gz ANXYTJSNIOQAFE-LLVKDONJSA-N -1 3 350.762 -0.168 20 0 FBADHM O=C(CNC(=O)c1cccc(Cl)c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332082787 484378862 /nfs/dbraw/zinc/37/88/62/484378862.db2.gz ANXYTJSNIOQAFE-NSHDSACASA-N -1 3 350.762 -0.168 20 0 FBADHM O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332084061 484378562 /nfs/dbraw/zinc/37/85/62/484378562.db2.gz CUFMOEIYISHKAO-LLVKDONJSA-N -1 3 352.297 -0.543 20 0 FBADHM O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332084062 484377685 /nfs/dbraw/zinc/37/76/85/484377685.db2.gz CUFMOEIYISHKAO-NSHDSACASA-N -1 3 352.297 -0.543 20 0 FBADHM O=C(CNC(=O)c1ccc(F)cc1F)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332087185 484378995 /nfs/dbraw/zinc/37/89/95/484378995.db2.gz IEQAKVQQVOPFKX-LLVKDONJSA-N -1 3 352.297 -0.543 20 0 FBADHM O=C(CNC(=O)c1ccc(F)cc1F)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332087186 484378837 /nfs/dbraw/zinc/37/88/37/484378837.db2.gz IEQAKVQQVOPFKX-NSHDSACASA-N -1 3 352.297 -0.543 20 0 FBADHM O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332090133 484379883 /nfs/dbraw/zinc/37/98/83/484379883.db2.gz LVIZAUARGJMPJS-LLVKDONJSA-N -1 3 352.297 -0.543 20 0 FBADHM O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332090134 484380493 /nfs/dbraw/zinc/38/04/93/484380493.db2.gz LVIZAUARGJMPJS-NSHDSACASA-N -1 3 352.297 -0.543 20 0 FBADHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000332093307 484380437 /nfs/dbraw/zinc/38/04/37/484380437.db2.gz OAWNDFJGQKLEPU-GFCCVEGCSA-N -1 3 372.447 -0.071 20 0 FBADHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000332093308 484379860 /nfs/dbraw/zinc/37/98/60/484379860.db2.gz OAWNDFJGQKLEPU-LBPRGKRZSA-N -1 3 372.447 -0.071 20 0 FBADHM O=C(CNC(=O)c1c(F)cccc1Cl)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332124263 484381888 /nfs/dbraw/zinc/38/18/88/484381888.db2.gz 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CCN(CC)C(=O)CN1CCCN(C(=O)c2cn(C)c(=O)[n-]c2=O)CC1 ZINC000332221775 484389273 /nfs/dbraw/zinc/38/92/73/484389273.db2.gz KOCQSIHDKALLOQ-UHFFFAOYSA-N -1 3 365.434 -0.498 20 0 FBADHM O=C(c1cc([O-])ccc1F)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000332225676 484389822 /nfs/dbraw/zinc/38/98/22/484389822.db2.gz ZPTZQNGMXKBFLC-UHFFFAOYSA-N -1 3 373.406 -0.134 20 0 FBADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332250892 484390643 /nfs/dbraw/zinc/39/06/43/484390643.db2.gz ANFCSBXKBSVXBV-BDAKNGLRSA-N -1 3 352.459 -0.282 20 0 FBADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332251811 484391048 /nfs/dbraw/zinc/39/10/48/484391048.db2.gz ANFCSBXKBSVXBV-DTWKUNHWSA-N -1 3 352.459 -0.282 20 0 FBADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332251815 484390862 /nfs/dbraw/zinc/39/08/62/484390862.db2.gz ANFCSBXKBSVXBV-IUCAKERBSA-N -1 3 352.459 -0.282 20 0 FBADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332251819 484391795 /nfs/dbraw/zinc/39/17/95/484391795.db2.gz ANFCSBXKBSVXBV-RKDXNWHRSA-N -1 3 352.459 -0.282 20 0 FBADHM COC(=O)[C@H]1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000332253228 484393158 /nfs/dbraw/zinc/39/31/58/484393158.db2.gz CGLQDYAYLMAZNC-WDEREUQCSA-N -1 3 358.420 -0.535 20 0 FBADHM CNC(=O)[C@H]1CCCN1C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000332289450 484395930 /nfs/dbraw/zinc/39/59/30/484395930.db2.gz HDHNIPJMRMSDQY-LLVKDONJSA-N -1 3 357.436 -0.866 20 0 FBADHM CNC(=O)[C@@H]1CCCN1C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000332289458 484395471 /nfs/dbraw/zinc/39/54/71/484395471.db2.gz HDHNIPJMRMSDQY-NSHDSACASA-N -1 3 357.436 -0.866 20 0 FBADHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cn1 ZINC000332290438 484396078 /nfs/dbraw/zinc/39/60/78/484396078.db2.gz GFQWDXVRKPVRAU-CYBMUJFWSA-N -1 3 365.415 -0.063 20 0 FBADHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3cnn(C)c3)C2)cn1 ZINC000332290440 484395309 /nfs/dbraw/zinc/39/53/09/484395309.db2.gz GFQWDXVRKPVRAU-ZDUSSCGKSA-N -1 3 365.415 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484402152 /nfs/dbraw/zinc/40/21/52/484402152.db2.gz TZNAJIADLPQDNU-LLVKDONJSA-N -1 3 358.420 -0.439 20 0 FBADHM COC(=O)[C@@H]1CCCN1C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000332344878 484401888 /nfs/dbraw/zinc/40/18/88/484401888.db2.gz TZNAJIADLPQDNU-NSHDSACASA-N -1 3 358.420 -0.439 20 0 FBADHM COC(=O)C1([N-]S(=O)(=O)N2CCCCCC2)CCS(=O)(=O)CC1 ZINC000332356034 484403738 /nfs/dbraw/zinc/40/37/38/484403738.db2.gz WKRMGHOQUFOGGT-UHFFFAOYSA-N -1 3 368.477 -0.183 20 0 FBADHM COC(=O)[C@]1(C)CCCN1C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000332366947 484403246 /nfs/dbraw/zinc/40/32/46/484403246.db2.gz YEMHZCQKSDOTEK-HNNXBMFYSA-N -1 3 372.447 -0.049 20 0 FBADHM COC(=O)[C@@]1(C)CCCN1C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000332366951 484404241 /nfs/dbraw/zinc/40/42/41/484404241.db2.gz YEMHZCQKSDOTEK-OAHLLOKOSA-N -1 3 372.447 -0.049 20 0 FBADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@]1(CO)CCOC1 ZINC000332368113 484405652 /nfs/dbraw/zinc/40/56/52/484405652.db2.gz ZUJXRMGLSSFCQP-LLVKDONJSA-N -1 3 354.837 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C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000427053963 483821451 /nfs/dbraw/zinc/82/14/51/483821451.db2.gz MDEOZOOWBBKDNV-NXEZZACHSA-N -1 3 354.432 -0.216 20 0 FBADHM C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)S(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000427053964 483821715 /nfs/dbraw/zinc/82/17/15/483821715.db2.gz MDEOZOOWBBKDNV-UWVGGRQHSA-N -1 3 354.432 -0.216 20 0 FBADHM C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000427053965 483821444 /nfs/dbraw/zinc/82/14/44/483821444.db2.gz MDEOZOOWBBKDNV-VHSXEESVSA-N -1 3 354.432 -0.216 20 0 FBADHM C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)S(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000427053966 483821643 /nfs/dbraw/zinc/82/16/43/483821643.db2.gz MDEOZOOWBBKDNV-ZJUUUORDSA-N -1 3 354.432 -0.216 20 0 FBADHM NC(=O)c1ncccc1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000427057998 483821699 /nfs/dbraw/zinc/82/16/99/483821699.db2.gz WZUQJPKLJGOAOU-UHFFFAOYSA-N -1 3 354.413 -0.050 20 0 FBADHM Cn1nnnc1N1CCC(NC(=O)CNC(=O)c2cccc([O-])c2)CC1 ZINC000427065569 483821541 /nfs/dbraw/zinc/82/15/41/483821541.db2.gz VITSXLGDUJQURD-UHFFFAOYSA-N -1 3 359.390 -0.569 20 0 FBADHM NS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CC1 ZINC000427078061 658987115 /nfs/dbraw/zinc/98/71/15/658987115.db2.gz SGLXTCLKWODINV-UHFFFAOYSA-N -1 3 365.419 -0.356 20 0 FBADHM NS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CC1 ZINC000427078061 658987107 /nfs/dbraw/zinc/98/71/07/658987107.db2.gz SGLXTCLKWODINV-UHFFFAOYSA-N -1 3 365.419 -0.356 20 0 FBADHM CCN1CCN(CC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C(=O)C1=O ZINC000427090029 483821761 /nfs/dbraw/zinc/82/17/61/483821761.db2.gz SXMKBOPOWNHWBP-UHFFFAOYSA-N -1 3 357.374 -0.580 20 0 FBADHM CCN1CCN(CC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C(=O)C1=O ZINC000427090029 483821760 /nfs/dbraw/zinc/82/17/60/483821760.db2.gz SXMKBOPOWNHWBP-UHFFFAOYSA-N -1 3 357.374 -0.580 20 0 FBADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000427133874 483822017 /nfs/dbraw/zinc/82/20/17/483822017.db2.gz SPWGOOZMRDOTRR-UHFFFAOYSA-N -1 3 358.314 -0.606 20 0 FBADHM Cc1nc(S(=O)(=O)NCCC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cn1C ZINC000427135091 483822120 /nfs/dbraw/zinc/82/21/20/483822120.db2.gz HWCRFFWSXVQBTM-UHFFFAOYSA-N -1 3 370.391 -0.455 20 0 FBADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000427135573 483822114 /nfs/dbraw/zinc/82/21/14/483822114.db2.gz JVMVDJAROTWNFB-UHFFFAOYSA-N -1 3 372.341 -0.297 20 0 FBADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCNS(=O)(=O)c1cccnc1 ZINC000427135974 483821979 /nfs/dbraw/zinc/82/19/79/483821979.db2.gz LHRDRKBADXLLED-UHFFFAOYSA-N -1 3 353.360 -0.102 20 0 FBADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000427136239 483821915 /nfs/dbraw/zinc/82/19/15/483821915.db2.gz MOPHXAGNSZNOCL-UHFFFAOYSA-N -1 3 353.360 -0.150 20 0 FBADHM Cc1nc(S(=O)(=O)NCC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cn1C ZINC000427148154 483824907 /nfs/dbraw/zinc/82/49/07/483824907.db2.gz TZNVFCNEFBJDMG-UHFFFAOYSA-N -1 3 356.364 -0.845 20 0 FBADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000427148871 483824710 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ZINC000436680641 484081380 /nfs/dbraw/zinc/08/13/80/484081380.db2.gz ONBSUEPGSGTJFX-ZDUSSCGKSA-N -1 3 357.432 -0.188 20 0 FBADHM CC(C)NC(=O)CN(C)CC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436680679 484080838 /nfs/dbraw/zinc/08/08/38/484080838.db2.gz PDKNOGQUGLEKHX-UHFFFAOYSA-N -1 3 350.419 -0.305 20 0 FBADHM O=C(Cn1nc2ccccn2c1=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436681632 484081300 /nfs/dbraw/zinc/08/13/00/484081300.db2.gz NKKLIFLRVFWCDQ-UHFFFAOYSA-N -1 3 355.354 -0.252 20 0 FBADHM NS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)nc1 ZINC000436682643 484079956 /nfs/dbraw/zinc/07/99/56/484079956.db2.gz VXOHTBWUFGDAJP-UHFFFAOYSA-N -1 3 364.383 -0.406 20 0 FBADHM Cc1nnc(CN(C)CC(=O)NCCNC(=O)c2ccc([O-])cc2)n1C ZINC000436683157 484080443 /nfs/dbraw/zinc/08/04/43/484080443.db2.gz STJCCZQRSMVXMQ-UHFFFAOYSA-N -1 3 360.418 -0.193 20 0 FBADHM CCN(CC)S(=O)(=O)CC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436683544 484080405 /nfs/dbraw/zinc/08/04/05/484080405.db2.gz UTXMUXYHYARZLX-UHFFFAOYSA-N -1 3 357.432 -0.090 20 0 FBADHM CN1CC(=O)N(CCCC(=O)NCCNC(=O)c2ccc([O-])cc2)C1=O ZINC000436687336 484080888 /nfs/dbraw/zinc/08/08/88/484080888.db2.gz HGUWAPUETNFPJL-UHFFFAOYSA-N -1 3 362.386 -0.088 20 0 FBADHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H]2CS(=O)(=O)CCO2)c([O-])c1 ZINC000436694670 484081317 /nfs/dbraw/zinc/08/13/17/484081317.db2.gz HSFUTCMVYBVEGX-GFCCVEGCSA-N -1 3 370.427 -0.250 20 0 FBADHM Cc1ccc(C(=O)NCCC(=O)NC[C@H]2CS(=O)(=O)CCO2)c([O-])c1 ZINC000436694671 484081566 /nfs/dbraw/zinc/08/15/66/484081566.db2.gz HSFUTCMVYBVEGX-LBPRGKRZSA-N -1 3 370.427 -0.250 20 0 FBADHM NS(=O)(=O)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436694882 484080461 /nfs/dbraw/zinc/08/04/61/484080461.db2.gz DFQJMWHUUCEESW-GFCCVEGCSA-N -1 3 355.416 -0.208 20 0 FBADHM NS(=O)(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436694887 484081584 /nfs/dbraw/zinc/08/15/84/484081584.db2.gz DFQJMWHUUCEESW-LBPRGKRZSA-N -1 3 355.416 -0.208 20 0 FBADHM Cc1nc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)nn1C ZINC000436701593 484455962 /nfs/dbraw/zinc/45/59/62/484455962.db2.gz ABGGZQYHWSLOCH-UHFFFAOYSA-N -1 3 372.385 -0.248 20 0 FBADHM NC(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000436702807 484079996 /nfs/dbraw/zinc/07/99/96/484079996.db2.gz GHGAXJFFRYBZBE-UHFFFAOYSA-N -1 3 370.365 -0.024 20 0 FBADHM Cn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)nn1 ZINC000436703738 484080648 /nfs/dbraw/zinc/08/06/48/484080648.db2.gz HXFDPUJIMYACNW-UHFFFAOYSA-N -1 3 358.358 -0.556 20 0 FBADHM Cc1nc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)nn1C ZINC000436704502 484456062 /nfs/dbraw/zinc/45/60/62/484456062.db2.gz JUXGKTNXVVPOFR-UHFFFAOYSA-N -1 3 372.385 -0.248 20 0 FBADHM COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436705111 484080985 /nfs/dbraw/zinc/08/09/85/484080985.db2.gz NVCPVWJGMMZVFW-GFCCVEGCSA-N -1 3 370.383 -0.237 20 0 FBADHM COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436705112 484081264 /nfs/dbraw/zinc/08/12/64/484081264.db2.gz NVCPVWJGMMZVFW-LBPRGKRZSA-N -1 3 370.383 -0.237 20 0 FBADHM CN(C)C(=O)Cn1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)nn1 ZINC000436705189 484081146 /nfs/dbraw/zinc/08/11/46/484081146.db2.gz QXLMZFKWIBGEHH-UHFFFAOYSA-N -1 3 360.374 -0.768 20 0 FBADHM Cn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)nn1 ZINC000436706939 484080780 /nfs/dbraw/zinc/08/07/80/484080780.db2.gz QLFQYRKUUVKLPX-UHFFFAOYSA-N -1 3 358.358 -0.556 20 0 FBADHM CNS(=O)(=O)c1ccc(NCCNC(=O)c2ccc([O-])cc2)nc1 ZINC000436706999 484199905 /nfs/dbraw/zinc/19/99/05/484199905.db2.gz REYFIEFJJGJNHB-UHFFFAOYSA-N -1 3 350.400 0.537 20 0 FBADHM Cc1cc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)cn(C)c1=O ZINC000436712206 484079912 /nfs/dbraw/zinc/07/99/12/484079912.db2.gz MYEBUKKKVLRSCO-UHFFFAOYSA-N -1 3 372.381 -0.116 20 0 FBADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436715905 484081095 /nfs/dbraw/zinc/08/10/95/484081095.db2.gz ZIAWQIRBIKDLTG-UHFFFAOYSA-N -1 3 372.381 -0.116 20 0 FBADHM O=C(NCCCN1CCNC(=O)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436731259 484081246 /nfs/dbraw/zinc/08/12/46/484081246.db2.gz BVWWMVFYGLMAGV-HNNXBMFYSA-N -1 3 374.441 -0.065 20 0 FBADHM O=C(NCCCN1CCNC(=O)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436731260 484080047 /nfs/dbraw/zinc/08/00/47/484080047.db2.gz BVWWMVFYGLMAGV-OAHLLOKOSA-N -1 3 374.441 -0.065 20 0 FBADHM COc1ncncc1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436737221 484081282 /nfs/dbraw/zinc/08/12/82/484081282.db2.gz IVWOPSYIYXPVNB-UHFFFAOYSA-N -1 3 359.342 -0.325 20 0 FBADHM NS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cn1 ZINC000436741098 484080275 /nfs/dbraw/zinc/08/02/75/484080275.db2.gz RXAWNFNPUTVKQU-UHFFFAOYSA-N -1 3 364.383 -0.406 20 0 FBADHM NC(=O)c1cnn2c1nccc2C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436743685 484080169 /nfs/dbraw/zinc/08/01/69/484080169.db2.gz ZEFIBBIPHSCRLJ-UHFFFAOYSA-N -1 3 368.353 -0.306 20 0 FBADHM COCCN(C)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436760816 484080583 /nfs/dbraw/zinc/08/05/83/484080583.db2.gz FSOTVANTZHEIFZ-UHFFFAOYSA-N -1 3 359.448 -0.050 20 0 FBADHM Cn1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(=O)[nH]c1=O ZINC000436765625 484080079 /nfs/dbraw/zinc/08/00/79/484080079.db2.gz XQHBAJRAKXLUHC-UHFFFAOYSA-N -1 3 358.354 -0.210 20 0 FBADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)N1CCS(=O)(=O)CC1 ZINC000436767283 660017070 /nfs/dbraw/zinc/01/70/70/660017070.db2.gz GJZOVZKZANFDSJ-SECBINFHSA-N -1 3 370.383 -0.504 20 0 FBADHM C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)N1CCS(=O)(=O)CC1 ZINC000436767290 660017057 /nfs/dbraw/zinc/01/70/57/660017057.db2.gz GJZOVZKZANFDSJ-VIFPVBQESA-N -1 3 370.383 -0.504 20 0 FBADHM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436773468 484080390 /nfs/dbraw/zinc/08/03/90/484080390.db2.gz PJCCGLQKKJARAX-LLVKDONJSA-N -1 3 365.386 -0.124 20 0 FBADHM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436773471 484080714 /nfs/dbraw/zinc/08/07/14/484080714.db2.gz PJCCGLQKKJARAX-NSHDSACASA-N -1 3 365.386 -0.124 20 0 FBADHM Cn1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(=O)[nH]c1=O ZINC000436776740 484081190 /nfs/dbraw/zinc/08/11/90/484081190.db2.gz KDPYQMAJDJJRKR-UHFFFAOYSA-N -1 3 358.354 -0.210 20 0 FBADHM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436786445 484080138 /nfs/dbraw/zinc/08/01/38/484080138.db2.gz JEHWSNADWKBAFC-CYBMUJFWSA-N -1 3 362.386 -0.183 20 0 FBADHM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436786453 484080375 /nfs/dbraw/zinc/08/03/75/484080375.db2.gz JEHWSNADWKBAFC-ZDUSSCGKSA-N -1 3 362.386 -0.183 20 0 FBADHM CN(C)C[C@@](C)(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436789109 484080341 /nfs/dbraw/zinc/08/03/41/484080341.db2.gz CKGGDHVPZFDGSU-HNNXBMFYSA-N -1 3 359.448 -0.315 20 0 FBADHM CN(C)C[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436789113 484081552 /nfs/dbraw/zinc/08/15/52/484081552.db2.gz CKGGDHVPZFDGSU-OAHLLOKOSA-N -1 3 359.448 -0.315 20 0 FBADHM O=C(CCNC(=O)c1cc2c(cc1[O-])OCO2)N[C@@H]1CCS(=O)(=O)C1 ZINC000436790163 660017174 /nfs/dbraw/zinc/01/71/74/660017174.db2.gz FJWUGLKONHZOGG-SECBINFHSA-N -1 3 370.383 -0.456 20 0 FBADHM O=C(CCNC(=O)c1cc2c(cc1[O-])OCO2)N[C@H]1CCS(=O)(=O)C1 ZINC000436790164 660017167 /nfs/dbraw/zinc/01/71/67/660017167.db2.gz FJWUGLKONHZOGG-VIFPVBQESA-N -1 3 370.383 -0.456 20 0 FBADHM CN(C)CCOCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436797147 484083733 /nfs/dbraw/zinc/08/37/33/484083733.db2.gz MKUPUGISNAQGNQ-UHFFFAOYSA-N -1 3 359.448 -0.050 20 0 FBADHM COC(=O)c1cccc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c1O ZINC000436801466 484082679 /nfs/dbraw/zinc/08/26/79/484082679.db2.gz SOFPDOXTQROQDB-UHFFFAOYSA-N -1 3 368.371 -0.171 20 0 FBADHM C[C@@](O)(Cn1ccccc1=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436804284 484083768 /nfs/dbraw/zinc/08/37/68/484083768.db2.gz TZZRUPZLMLRCBY-GOSISDBHSA-N -1 3 359.382 -0.149 20 0 FBADHM C[C@](O)(Cn1ccccc1=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436804285 484083575 /nfs/dbraw/zinc/08/35/75/484083575.db2.gz TZZRUPZLMLRCBY-SFHVURJKSA-N -1 3 359.382 -0.149 20 0 FBADHM CC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436806206 484082702 /nfs/dbraw/zinc/08/27/02/484082702.db2.gz HCVVQXKPSDBUNI-UHFFFAOYSA-N -1 3 364.402 -0.729 20 0 FBADHM O=C(NCCO)c1ccc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)nn1 ZINC000436808218 484082408 /nfs/dbraw/zinc/08/24/08/484082408.db2.gz NVQOCBZYWWROAT-UHFFFAOYSA-N -1 3 371.397 -0.133 20 0 FBADHM COC(=O)[C@H]1CNC(=O)CN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436810384 484083697 /nfs/dbraw/zinc/08/36/97/484083697.db2.gz RJTFNSVFYAGGAL-GFCCVEGCSA-N -1 3 363.370 -0.679 20 0 FBADHM COC(=O)[C@@H]1CNC(=O)CN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436810387 484083801 /nfs/dbraw/zinc/08/38/01/484083801.db2.gz RJTFNSVFYAGGAL-LBPRGKRZSA-N -1 3 363.370 -0.679 20 0 FBADHM COc1cccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1[O-] ZINC000436820734 484082867 /nfs/dbraw/zinc/08/28/67/484082867.db2.gz MRLZXOCWKLDYBY-UHFFFAOYSA-N -1 3 367.387 -0.334 20 0 FBADHM CCN(CCO)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436823913 484082742 /nfs/dbraw/zinc/08/27/42/484082742.db2.gz DPBHHFGDRKYOCA-UHFFFAOYSA-N -1 3 359.448 -0.314 20 0 FBADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436831860 484082324 /nfs/dbraw/zinc/08/23/24/484082324.db2.gz UIFYUBGMWZUYNH-UHFFFAOYSA-N -1 3 372.381 -0.116 20 0 FBADHM Cc1ccc(C(=O)NCCC(=O)NCC2CN(S(C)(=O)=O)C2)c([O-])c1 ZINC000436836409 658971573 /nfs/dbraw/zinc/97/15/73/658971573.db2.gz DKBMQXFGRKJZLE-UHFFFAOYSA-N -1 3 369.443 -0.172 20 0 FBADHM C[C@@H](NC(=O)CN1CCN(C(=O)c2ccccc2[O-])CC1)C(=O)N(C)C ZINC000436843750 484083217 /nfs/dbraw/zinc/08/32/17/484083217.db2.gz ALVGCBUJPINVQP-CYBMUJFWSA-N -1 3 362.430 -0.257 20 0 FBADHM C[C@H](NC(=O)CN1CCN(C(=O)c2ccccc2[O-])CC1)C(=O)N(C)C ZINC000436843751 484082893 /nfs/dbraw/zinc/08/28/93/484082893.db2.gz ALVGCBUJPINVQP-ZDUSSCGKSA-N -1 3 362.430 -0.257 20 0 FBADHM CC(C)(C)n1cnc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)n1 ZINC000436854121 484140757 /nfs/dbraw/zinc/14/07/57/484140757.db2.gz MOJSITYWHHLVLU-UHFFFAOYSA-N -1 3 374.401 0.223 20 0 FBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1nc(N(C)C)n[nH]1 ZINC000436855088 484083318 /nfs/dbraw/zinc/08/33/18/484083318.db2.gz OWTGEPKTOLRQOI-ZETCQYMHSA-N -1 3 357.396 -0.219 20 0 FBADHM O=C(NCCO)c1ccc(N2CCN(C(=O)c3ccccc3[O-])CC2)nn1 ZINC000436860521 484082231 /nfs/dbraw/zinc/08/22/31/484082231.db2.gz OZENJKIPEOIXQA-UHFFFAOYSA-N -1 3 371.397 -0.133 20 0 FBADHM COc1cccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1[O-] ZINC000436864767 484083920 /nfs/dbraw/zinc/08/39/20/484083920.db2.gz PDKLJZDQRKWYJG-JTQLQIEISA-N -1 3 356.400 -0.176 20 0 FBADHM NC(=O)c1nccnc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436869596 484082487 /nfs/dbraw/zinc/08/24/87/484082487.db2.gz MSCSXVAJVPPFMI-UHFFFAOYSA-N -1 3 355.354 -0.121 20 0 FBADHM COc1ccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c([O-])c1 ZINC000436879271 484083643 /nfs/dbraw/zinc/08/36/43/484083643.db2.gz FUECUYITFUALDV-UHFFFAOYSA-N -1 3 367.387 -0.334 20 0 FBADHM Cn1ncc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c1-n1cnnc1 ZINC000436884014 484083551 /nfs/dbraw/zinc/08/35/51/484083551.db2.gz ALPFLORURRKQHK-UHFFFAOYSA-N -1 3 355.358 -0.134 20 0 FBADHM NC(=O)c1nccnc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436885395 484083403 /nfs/dbraw/zinc/08/34/03/484083403.db2.gz NNLHVTBXDZYSNM-UHFFFAOYSA-N -1 3 355.354 -0.121 20 0 FBADHM Cn1c(=O)[nH]cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1=O ZINC000436888357 484083836 /nfs/dbraw/zinc/08/38/36/484083836.db2.gz UCMKFISHDHKQTL-UHFFFAOYSA-N -1 3 358.354 -0.210 20 0 FBADHM Cn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000436893685 484490861 /nfs/dbraw/zinc/49/08/61/484490861.db2.gz NUDGGFYQVFIMKM-UHFFFAOYSA-N -1 3 357.370 0.049 20 0 FBADHM COc1nn(C)cc1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436945259 484084695 /nfs/dbraw/zinc/08/46/95/484084695.db2.gz MTHXPJTXALMMHO-UHFFFAOYSA-N -1 3 361.358 -0.381 20 0 FBADHM NS(=O)(=O)CCN1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000436973268 660020163 /nfs/dbraw/zinc/02/01/63/660020163.db2.gz SLROFYMQXHTSSU-UHFFFAOYSA-N -1 3 357.388 -0.833 20 0 FBADHM CN(CC(=O)N1CCNCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436980111 484086053 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359.367 -0.003 20 0 FBADHM Cn1ncc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1C(F)(F)F ZINC000442023401 484209627 /nfs/dbraw/zinc/20/96/27/484209627.db2.gz DAHBPPMUWYPPDC-SSDOTTSWSA-N -1 3 374.279 -0.860 20 0 FBADHM Cn1ncc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1C(F)(F)F ZINC000442023403 484209900 /nfs/dbraw/zinc/20/99/00/484209900.db2.gz DAHBPPMUWYPPDC-ZETCQYMHSA-N -1 3 374.279 -0.860 20 0 FBADHM O=C(Nc1ccc2c(c1)CCC(=O)N2)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000442023869 484209038 /nfs/dbraw/zinc/20/90/38/484209038.db2.gz DFMIBVQHJLULPI-GFCCVEGCSA-N -1 3 371.353 -0.728 20 0 FBADHM O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000442023878 484208903 /nfs/dbraw/zinc/20/89/03/484208903.db2.gz CTQNCVKYPFRLLU-SECBINFHSA-N -1 3 356.260 -0.195 20 0 FBADHM O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000442023882 484209242 /nfs/dbraw/zinc/20/92/42/484209242.db2.gz CTQNCVKYPFRLLU-VIFPVBQESA-N -1 3 356.260 -0.195 20 0 FBADHM O=C(Nc1ccc2c(c1)CCC(=O)N2)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000442023884 484209870 /nfs/dbraw/zinc/20/98/70/484209870.db2.gz DFMIBVQHJLULPI-LBPRGKRZSA-N -1 3 371.353 -0.728 20 0 FBADHM COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(OC)c1 ZINC000442024041 484210791 /nfs/dbraw/zinc/21/07/91/484210791.db2.gz DOROUFUZCKSSRW-LLVKDONJSA-N -1 3 362.342 -0.595 20 0 FBADHM COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(OC)c1 ZINC000442024042 484211584 /nfs/dbraw/zinc/21/15/84/484211584.db2.gz DOROUFUZCKSSRW-NSHDSACASA-N -1 3 362.342 -0.595 20 0 FBADHM O=C(Nc1cc(F)c(F)cc1F)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000442024332 484211561 /nfs/dbraw/zinc/21/15/61/484211561.db2.gz DQKRWEILMGBRDL-JTQLQIEISA-N -1 3 356.260 -0.195 20 0 FBADHM O=C(Nc1cc(F)c(F)cc1F)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000442024339 484210654 /nfs/dbraw/zinc/21/06/54/484210654.db2.gz DQKRWEILMGBRDL-SNVBAGLBSA-N -1 3 356.260 -0.195 20 0 FBADHM CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1 ZINC000442024832 484210729 /nfs/dbraw/zinc/21/07/29/484210729.db2.gz DPAFNCKIIQWSHN-GFCCVEGCSA-N -1 3 359.342 -0.654 20 0 FBADHM CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1 ZINC000442024833 484211426 /nfs/dbraw/zinc/21/14/26/484211426.db2.gz DPAFNCKIIQWSHN-LBPRGKRZSA-N -1 3 359.342 -0.654 20 0 FBADHM CCOC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000442025046 484210350 /nfs/dbraw/zinc/21/03/50/484210350.db2.gz LNMYXQWIDKXPHB-GFCCVEGCSA-N -1 3 374.353 -0.436 20 0 FBADHM CCOC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000442025053 484210767 /nfs/dbraw/zinc/21/07/67/484210767.db2.gz LNMYXQWIDKXPHB-LBPRGKRZSA-N -1 3 374.353 -0.436 20 0 FBADHM CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000442025588 484211692 /nfs/dbraw/zinc/21/16/92/484211692.db2.gz ZOFHJUIXUXWNFJ-GFCCVEGCSA-N -1 3 359.342 -0.654 20 0 FBADHM CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000442025589 484211303 /nfs/dbraw/zinc/21/13/03/484211303.db2.gz ZOFHJUIXUXWNFJ-LBPRGKRZSA-N -1 3 359.342 -0.654 20 0 FBADHM O=C(Nc1ccc2nccnc2c1)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000442025882 484210820 /nfs/dbraw/zinc/21/08/20/484210820.db2.gz GSUJEVBAQNBQKE-GFCCVEGCSA-N -1 3 354.326 -0.669 20 0 FBADHM O=C(Nc1ccc2nccnc2c1)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000442026061 484210409 /nfs/dbraw/zinc/21/04/09/484210409.db2.gz GSUJEVBAQNBQKE-LBPRGKRZSA-N -1 3 354.326 -0.669 20 0 FBADHM Cn1ccc2ccc(NC(=O)C(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)cc21 ZINC000442026375 484211006 /nfs/dbraw/zinc/21/10/06/484211006.db2.gz GWIRHCLXALHVJV-CYBMUJFWSA-N -1 3 355.354 -0.121 20 0 FBADHM Cn1ccc2ccc(NC(=O)C(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)cc21 ZINC000442026378 484211449 /nfs/dbraw/zinc/21/14/49/484211449.db2.gz GWIRHCLXALHVJV-ZDUSSCGKSA-N -1 3 355.354 -0.121 20 0 FBADHM CCn1ncc2ccc(NC(=O)C(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)cc21 ZINC000442026780 484211096 /nfs/dbraw/zinc/21/10/96/484211096.db2.gz GTIHFQJIASXMGO-CYBMUJFWSA-N -1 3 370.369 -0.243 20 0 FBADHM CCn1ncc2ccc(NC(=O)C(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)cc21 ZINC000442026781 484211115 /nfs/dbraw/zinc/21/11/15/484211115.db2.gz GTIHFQJIASXMGO-ZDUSSCGKSA-N -1 3 370.369 -0.243 20 0 FBADHM COC(=O)c1cc(C)ccc1NC(=O)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000442027380 484211482 /nfs/dbraw/zinc/21/14/82/484211482.db2.gz HOIHCVXBHSSEPG-GFCCVEGCSA-N -1 3 374.353 -0.517 20 0 FBADHM COC(=O)c1cc(C)ccc1NC(=O)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000442027381 484211237 /nfs/dbraw/zinc/21/12/37/484211237.db2.gz HOIHCVXBHSSEPG-LBPRGKRZSA-N -1 3 374.353 -0.517 20 0 FBADHM COc1cc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)ccc1F ZINC000442028175 484211377 /nfs/dbraw/zinc/21/13/77/484211377.db2.gz PIDYLMFENFQXBY-JTQLQIEISA-N -1 3 350.306 -0.465 20 0 FBADHM COc1cc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)ccc1F ZINC000442028177 484211073 /nfs/dbraw/zinc/21/10/73/484211073.db2.gz PIDYLMFENFQXBY-SNVBAGLBSA-N -1 3 350.306 -0.465 20 0 FBADHM CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1F ZINC000442028259 484210514 /nfs/dbraw/zinc/21/05/14/484210514.db2.gz PNJPFEQLYBQZQE-LLVKDONJSA-N -1 3 364.333 -0.075 20 0 FBADHM CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1F ZINC000442028262 484210922 /nfs/dbraw/zinc/21/09/22/484210922.db2.gz PNJPFEQLYBQZQE-NSHDSACASA-N -1 3 364.333 -0.075 20 0 FBADHM COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1 ZINC000442028880 484211521 /nfs/dbraw/zinc/21/15/21/484211521.db2.gz KGIKKZLCCWBMHT-GFCCVEGCSA-N -1 3 374.353 -0.897 20 0 FBADHM COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1 ZINC000442028882 484210385 /nfs/dbraw/zinc/21/03/85/484210385.db2.gz KGIKKZLCCWBMHT-LBPRGKRZSA-N -1 3 374.353 -0.897 20 0 FBADHM COc1cc(C)c(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1F ZINC000442029406 484211462 /nfs/dbraw/zinc/21/14/62/484211462.db2.gz KSEZFXIMGJSJGD-LLVKDONJSA-N -1 3 364.333 -0.156 20 0 FBADHM COc1cc(C)c(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1F ZINC000442029408 484210949 /nfs/dbraw/zinc/21/09/49/484210949.db2.gz KSEZFXIMGJSJGD-NSHDSACASA-N -1 3 364.333 -0.156 20 0 FBADHM O=C(Nc1cccc2cnccc21)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000442029724 484211364 /nfs/dbraw/zinc/21/13/64/484211364.db2.gz LIPMNCHFJFSEKA-CYBMUJFWSA-N -1 3 353.338 -0.064 20 0 FBADHM O=C(Nc1cccc2cnccc21)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000442029726 484210492 /nfs/dbraw/zinc/21/04/92/484210492.db2.gz LIPMNCHFJFSEKA-ZDUSSCGKSA-N -1 3 353.338 -0.064 20 0 FBADHM COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1OC ZINC000442030303 484211669 /nfs/dbraw/zinc/21/16/69/484211669.db2.gz LTXBVDNEWBALNR-JTQLQIEISA-N -1 3 362.342 -0.595 20 0 FBADHM COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1OC ZINC000442030305 484210859 /nfs/dbraw/zinc/21/08/59/484210859.db2.gz LTXBVDNEWBALNR-SNVBAGLBSA-N -1 3 362.342 -0.595 20 0 FBADHM CC[C@H](C)n1nc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1C ZINC000442030383 484446792 /nfs/dbraw/zinc/44/67/92/484446792.db2.gz LDLCPHQTXITVBI-GXSJLCMTSA-N -1 3 362.390 -0.136 20 0 FBADHM CC[C@@H](C)n1nc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1C ZINC000442030388 484436894 /nfs/dbraw/zinc/43/68/94/484436894.db2.gz LDLCPHQTXITVBI-KOLCDFICSA-N -1 3 362.390 -0.136 20 0 FBADHM CC[C@@H](C)n1nc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1C ZINC000442030392 484436905 /nfs/dbraw/zinc/43/69/05/484436905.db2.gz LDLCPHQTXITVBI-MWLCHTKSSA-N -1 3 362.390 -0.136 20 0 FBADHM CC[C@H](C)n1nc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1C ZINC000442030395 484446437 /nfs/dbraw/zinc/44/64/37/484446437.db2.gz LDLCPHQTXITVBI-ONGXEEELSA-N -1 3 362.390 -0.136 20 0 FBADHM COC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1C ZINC000442030396 484211639 /nfs/dbraw/zinc/21/16/39/484211639.db2.gz MYUHVJYFOOFGKH-GFCCVEGCSA-N -1 3 374.353 -0.517 20 0 FBADHM COC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1C ZINC000442030399 484210911 /nfs/dbraw/zinc/21/09/11/484210911.db2.gz MYUHVJYFOOFGKH-LBPRGKRZSA-N -1 3 374.353 -0.517 20 0 FBADHM O=C(C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)N1CCc2cc(F)c(F)cc21 ZINC000442031816 484211410 /nfs/dbraw/zinc/21/14/10/484211410.db2.gz NDNWRNNKQGTWBQ-GFCCVEGCSA-N -1 3 364.308 -0.384 20 0 FBADHM O=C(C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)N1CCc2cc(F)c(F)cc21 ZINC000442031823 484210596 /nfs/dbraw/zinc/21/05/96/484210596.db2.gz NDNWRNNKQGTWBQ-LBPRGKRZSA-N -1 3 364.308 -0.384 20 0 FBADHM CCOC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1 ZINC000442032518 484210627 /nfs/dbraw/zinc/21/06/27/484210627.db2.gz OJWVYTQVYMVGNB-GFCCVEGCSA-N -1 3 374.353 -0.436 20 0 FBADHM CCOC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1 ZINC000442032519 484210471 /nfs/dbraw/zinc/21/04/71/484210471.db2.gz OJWVYTQVYMVGNB-LBPRGKRZSA-N -1 3 374.353 -0.436 20 0 FBADHM CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1 ZINC000442032646 484210579 /nfs/dbraw/zinc/21/05/79/484210579.db2.gz QKNNANPXJIDBSV-GFCCVEGCSA-N -1 3 373.369 -0.863 20 0 FBADHM 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361.358 -0.177 20 0 FBADHM CNC(=O)c1ccc(OC)c(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000490815346 485180118 /nfs/dbraw/zinc/18/01/18/485180118.db2.gz QLTHNUOMAGCQLW-NSHDSACASA-N -1 3 361.358 -0.177 20 0 FBADHM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000490839563 485179999 /nfs/dbraw/zinc/17/99/99/485179999.db2.gz DGCHOPBYXVXNLV-MNOVXSKESA-N -1 3 353.423 -0.129 20 0 FBADHM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000490839564 485180684 /nfs/dbraw/zinc/18/06/84/485180684.db2.gz DGCHOPBYXVXNLV-QWRGUYRKSA-N -1 3 353.423 -0.129 20 0 FBADHM Cc1ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1-n1cnnn1 ZINC000490841848 485180382 /nfs/dbraw/zinc/18/03/82/485180382.db2.gz MBBUGQBPCPSZAV-GFCCVEGCSA-N -1 3 356.346 -0.261 20 0 FBADHM Cc1ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1-n1cnnn1 ZINC000490841850 485180313 /nfs/dbraw/zinc/18/03/13/485180313.db2.gz MBBUGQBPCPSZAV-LBPRGKRZSA-N -1 3 356.346 -0.261 20 0 FBADHM O=C(C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000490843741 485180277 /nfs/dbraw/zinc/18/02/77/485180277.db2.gz CSOKHAVAOZFGLJ-CYBMUJFWSA-N -1 3 353.338 -0.182 20 0 FBADHM O=C(C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000490843748 485180577 /nfs/dbraw/zinc/18/05/77/485180577.db2.gz CSOKHAVAOZFGLJ-ZDUSSCGKSA-N -1 3 353.338 -0.182 20 0 FBADHM COc1ccnc(N2CCC(C(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)CC2)n1 ZINC000490851392 485180754 /nfs/dbraw/zinc/18/07/54/485180754.db2.gz PWMMLYYGMINUIT-GFCCVEGCSA-N -1 3 374.401 -0.536 20 0 FBADHM COc1ccnc(N2CCC(C(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)CC2)n1 ZINC000490851393 485180828 /nfs/dbraw/zinc/18/08/28/485180828.db2.gz PWMMLYYGMINUIT-LBPRGKRZSA-N -1 3 374.401 -0.536 20 0 FBADHM CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000490854181 485180485 /nfs/dbraw/zinc/18/04/85/485180485.db2.gz UAYGRLMDBXYDDY-GHMZBOCLSA-N -1 3 354.432 -0.159 20 0 FBADHM CCCCC(=O)N1CSC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000490854189 485180405 /nfs/dbraw/zinc/18/04/05/485180405.db2.gz UAYGRLMDBXYDDY-MNOVXSKESA-N -1 3 354.432 -0.159 20 0 FBADHM CCCCC(=O)N1CSC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000490854190 485179895 /nfs/dbraw/zinc/17/98/95/485179895.db2.gz UAYGRLMDBXYDDY-QWRGUYRKSA-N -1 3 354.432 -0.159 20 0 FBADHM CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000490854191 485180025 /nfs/dbraw/zinc/18/00/25/485180025.db2.gz UAYGRLMDBXYDDY-WDEREUQCSA-N -1 3 354.432 -0.159 20 0 FBADHM COc1ccc(C(=O)NCCCC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1 ZINC000490854265 485180781 /nfs/dbraw/zinc/18/07/81/485180781.db2.gz UNXJCBNVFNCLKX-AWEZNQCLSA-N -1 3 374.397 -0.032 20 0 FBADHM COc1ccc(C(=O)NCCCC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1 ZINC000490854267 485180661 /nfs/dbraw/zinc/18/06/61/485180661.db2.gz UNXJCBNVFNCLKX-CQSZACIVSA-N -1 3 374.397 -0.032 20 0 FBADHM O=C(c1cc(I)c[nH]1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000490855176 485180725 /nfs/dbraw/zinc/18/07/25/485180725.db2.gz WCUKOJLKUGAZAP-MRVPVSSYSA-N -1 3 374.138 -0.005 20 0 FBADHM O=C(c1cc(I)c[nH]1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000490855183 485180791 /nfs/dbraw/zinc/18/07/91/485180791.db2.gz WCUKOJLKUGAZAP-QMMMGPOBSA-N -1 3 374.138 -0.005 20 0 FBADHM O=C(c1ccncc1)N1CCC[C@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)C1 ZINC000490860126 485179953 /nfs/dbraw/zinc/17/99/53/485179953.db2.gz QTYVILIPKMFAQE-KBPBESRZSA-N -1 3 371.397 -0.304 20 0 FBADHM O=C(c1ccncc1)N1CCC[C@@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)C1 ZINC000490860127 485180809 /nfs/dbraw/zinc/18/08/09/485180809.db2.gz QTYVILIPKMFAQE-KGLIPLIRSA-N -1 3 371.397 -0.304 20 0 FBADHM O=C(c1ccncc1)N1CCC[C@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)C1 ZINC000490860128 485180077 /nfs/dbraw/zinc/18/00/77/485180077.db2.gz QTYVILIPKMFAQE-UONOGXRCSA-N -1 3 371.397 -0.304 20 0 FBADHM O=C(c1ccncc1)N1CCC[C@@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)C1 ZINC000490860129 485180698 /nfs/dbraw/zinc/18/06/98/485180698.db2.gz QTYVILIPKMFAQE-ZIAGYGMSSA-N -1 3 371.397 -0.304 20 0 FBADHM CNC(=O)COc1cccc(CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000490867498 485180569 /nfs/dbraw/zinc/18/05/69/485180569.db2.gz AUAHZDCXRWNDIP-CYBMUJFWSA-N -1 3 360.370 -0.884 20 0 FBADHM CNC(=O)COc1cccc(CC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000490867501 485181445 /nfs/dbraw/zinc/18/14/45/485181445.db2.gz AUAHZDCXRWNDIP-ZDUSSCGKSA-N -1 3 360.370 -0.884 20 0 FBADHM O=C(CN1CCN(Cc2ccccc2)CC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000490870876 485182086 /nfs/dbraw/zinc/18/20/86/485182086.db2.gz JEJLEPJIQBTUCE-INIZCTEOSA-N -1 3 371.441 -0.433 20 0 FBADHM O=C(CN1CCN(Cc2ccccc2)CC1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000490870877 485181969 /nfs/dbraw/zinc/18/19/69/485181969.db2.gz JEJLEPJIQBTUCE-MRXNPFEDSA-N -1 3 371.441 -0.433 20 0 FBADHM O=C([C@@H]1CCCO1)N1CCCC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000490870905 485182160 /nfs/dbraw/zinc/18/21/60/485182160.db2.gz JNYPIZWAWIMMLS-AVGNSLFASA-N -1 3 364.402 -0.691 20 0 FBADHM O=C([C@H]1CCCO1)N1CCCC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000490870906 485181489 /nfs/dbraw/zinc/18/14/89/485181489.db2.gz JNYPIZWAWIMMLS-RWMBFGLXSA-N -1 3 364.402 -0.691 20 0 FBADHM O=C([C@@H]1CCCO1)N1CCCC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000490870907 485181369 /nfs/dbraw/zinc/18/13/69/485181369.db2.gz JNYPIZWAWIMMLS-XQQFMLRXSA-N -1 3 364.402 -0.691 20 0 FBADHM O=C([C@H]1CCCO1)N1CCCC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000490870908 485181734 /nfs/dbraw/zinc/18/17/34/485181734.db2.gz JNYPIZWAWIMMLS-YNEHKIRRSA-N -1 3 364.402 -0.691 20 0 FBADHM O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000490871823 485182146 /nfs/dbraw/zinc/18/21/46/485182146.db2.gz BIKIXHABTPAZJZ-LLVKDONJSA-N -1 3 361.749 -0.308 20 0 FBADHM O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000490871832 485181792 /nfs/dbraw/zinc/18/17/92/485181792.db2.gz BIKIXHABTPAZJZ-NSHDSACASA-N -1 3 361.749 -0.308 20 0 FBADHM C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000490872369 485181379 /nfs/dbraw/zinc/18/13/79/485181379.db2.gz LDPSYSOYHGWDPD-CMPLNLGQSA-N -1 3 366.399 -0.884 20 0 FBADHM C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000490872373 485181656 /nfs/dbraw/zinc/18/16/56/485181656.db2.gz LDPSYSOYHGWDPD-JQWIXIFHSA-N -1 3 366.399 -0.884 20 0 FBADHM CC1CCC(NS(=O)(=O)CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CC1 ZINC000490880661 485181500 /nfs/dbraw/zinc/18/15/00/485181500.db2.gz XDWCUJSJFWXYRF-HTAVTVPLSA-N -1 3 372.447 -0.753 20 0 FBADHM CC1CCC(NS(=O)(=O)CC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CC1 ZINC000490880666 485181925 /nfs/dbraw/zinc/18/19/25/485181925.db2.gz XDWCUJSJFWXYRF-MCIGGMRASA-N -1 3 372.447 -0.753 20 0 FBADHM NC(=O)N[C@H](CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1cccs1 ZINC000490882586 485181457 /nfs/dbraw/zinc/18/14/57/485181457.db2.gz HLXDUBZWZDNROJ-BDAKNGLRSA-N -1 3 351.388 -0.390 20 0 FBADHM NC(=O)N[C@@H](CC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1cccs1 ZINC000490882588 485182002 /nfs/dbraw/zinc/18/20/02/485182002.db2.gz HLXDUBZWZDNROJ-DTWKUNHWSA-N -1 3 351.388 -0.390 20 0 FBADHM NC(=O)N[C@@H](CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1cccs1 ZINC000490882590 485181824 /nfs/dbraw/zinc/18/18/24/485181824.db2.gz HLXDUBZWZDNROJ-IUCAKERBSA-N -1 3 351.388 -0.390 20 0 FBADHM NC(=O)N[C@H](CC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1cccs1 ZINC000490882591 485181346 /nfs/dbraw/zinc/18/13/46/485181346.db2.gz HLXDUBZWZDNROJ-RKDXNWHRSA-N -1 3 351.388 -0.390 20 0 FBADHM Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1C ZINC000490883406 485181698 /nfs/dbraw/zinc/18/16/98/485181698.db2.gz BBZJADFQHQCZII-GFCCVEGCSA-N -1 3 366.399 -0.673 20 0 FBADHM Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1C ZINC000490883414 485181424 /nfs/dbraw/zinc/18/14/24/485181424.db2.gz BBZJADFQHQCZII-LBPRGKRZSA-N -1 3 366.399 -0.673 20 0 FBADHM CS(=O)(=O)Nc1cccc(CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000490884939 485181518 /nfs/dbraw/zinc/18/15/18/485181518.db2.gz FZZFPEHUVFOXIP-GFCCVEGCSA-N -1 3 366.399 -0.637 20 0 FBADHM CS(=O)(=O)Nc1cccc(CC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000490884952 485182039 /nfs/dbraw/zinc/18/20/39/485182039.db2.gz FZZFPEHUVFOXIP-LBPRGKRZSA-N -1 3 366.399 -0.637 20 0 FBADHM Cc1cccc([C@@H](CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)NC(N)=O)c1 ZINC000490886280 485181851 /nfs/dbraw/zinc/18/18/51/485181851.db2.gz SCSMMJNBTFVPQJ-CHWSQXEVSA-N -1 3 359.386 -0.143 20 0 FBADHM Cc1cccc([C@@H](CC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)NC(N)=O)c1 ZINC000490886281 485181589 /nfs/dbraw/zinc/18/15/89/485181589.db2.gz SCSMMJNBTFVPQJ-OLZOCXBDSA-N -1 3 359.386 -0.143 20 0 FBADHM Cc1cccc([C@H](CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)NC(N)=O)c1 ZINC000490886282 485181837 /nfs/dbraw/zinc/18/18/37/485181837.db2.gz SCSMMJNBTFVPQJ-QWHCGFSZSA-N -1 3 359.386 -0.143 20 0 FBADHM Cc1cccc([C@H](CC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)NC(N)=O)c1 ZINC000490886283 485181529 /nfs/dbraw/zinc/18/15/29/485181529.db2.gz SCSMMJNBTFVPQJ-STQMWFEESA-N -1 3 359.386 -0.143 20 0 FBADHM Cc1ccccc1[C@@H](CC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)NC(N)=O ZINC000490887551 485181744 /nfs/dbraw/zinc/18/17/44/485181744.db2.gz WVZKQCOGMFBCCC-CHWSQXEVSA-N -1 3 359.386 -0.143 20 0 FBADHM Cc1ccccc1[C@@H](CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)NC(N)=O ZINC000490887552 485182072 /nfs/dbraw/zinc/18/20/72/485182072.db2.gz WVZKQCOGMFBCCC-OLZOCXBDSA-N -1 3 359.386 -0.143 20 0 FBADHM Cc1ccccc1[C@H](CC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)NC(N)=O ZINC000490887553 485181604 /nfs/dbraw/zinc/18/16/04/485181604.db2.gz WVZKQCOGMFBCCC-QWHCGFSZSA-N -1 3 359.386 -0.143 20 0 FBADHM Cc1ccccc1[C@H](CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)NC(N)=O ZINC000490887554 485181644 /nfs/dbraw/zinc/18/16/44/485181644.db2.gz WVZKQCOGMFBCCC-STQMWFEESA-N -1 3 359.386 -0.143 20 0 FBADHM Cc1c(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cccc1S(N)(=O)=O ZINC000490887616 485181413 /nfs/dbraw/zinc/18/14/13/485181413.db2.gz XBBYVEXEZWDDQA-JTQLQIEISA-N -1 3 352.372 -0.981 20 0 FBADHM Cc1c(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cccc1S(N)(=O)=O 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20 0 FBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@H](O)C1CCOCC1 ZINC000519038840 484138360 /nfs/dbraw/zinc/13/83/60/484138360.db2.gz NRLSMIVHLLBUPX-LBPRGKRZSA-N -1 3 361.420 -0.527 20 0 FBADHM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CCN1CCO ZINC000519040854 484139255 /nfs/dbraw/zinc/13/92/55/484139255.db2.gz ZKXHZNTUDICZFP-GFCCVEGCSA-N -1 3 359.423 -0.371 20 0 FBADHM C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CCN1CCO ZINC000519040855 484138202 /nfs/dbraw/zinc/13/82/02/484138202.db2.gz ZKXHZNTUDICZFP-LBPRGKRZSA-N -1 3 359.423 -0.371 20 0 FBADHM Nc1nccnc1C(=O)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000519068156 484139994 /nfs/dbraw/zinc/13/99/94/484139994.db2.gz DGXIYSLQCIEQTA-UHFFFAOYSA-N -1 3 355.314 -0.218 20 0 FBADHM Nc1nccnc1C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000519068156 484139986 /nfs/dbraw/zinc/13/99/86/484139986.db2.gz DGXIYSLQCIEQTA-UHFFFAOYSA-N -1 3 355.314 -0.218 20 0 FBADHM Cn1cc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c(=O)[n-]c1=O ZINC000519095130 484143263 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C[C@@H]1CCN(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000540867980 484606126 /nfs/dbraw/zinc/60/61/26/484606126.db2.gz QSOJUCCJNAGWIJ-GFCCVEGCSA-N -1 3 357.436 -0.260 20 0 FBADHM C[C@H]1CCN(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000540867982 484606451 /nfs/dbraw/zinc/60/64/51/484606451.db2.gz QSOJUCCJNAGWIJ-LBPRGKRZSA-N -1 3 357.436 -0.260 20 0 FBADHM O=C(c1cc(Cl)ccc1-n1cnnn1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000540907026 484608250 /nfs/dbraw/zinc/60/82/50/484608250.db2.gz QNWWOOBWRGSUSK-LLVKDONJSA-N -1 3 361.749 -0.308 20 0 FBADHM O=C(c1cc(Cl)ccc1-n1cnnn1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000540907027 484607488 /nfs/dbraw/zinc/60/74/88/484607488.db2.gz QNWWOOBWRGSUSK-NSHDSACASA-N -1 3 361.749 -0.308 20 0 FBADHM CCc1ccccc1NC(=O)CNC(=O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000540911510 484608013 /nfs/dbraw/zinc/60/80/13/484608013.db2.gz DDNGZTNUWRVIDV-AWEZNQCLSA-N -1 3 373.413 -0.460 20 0 FBADHM CCc1ccccc1NC(=O)CNC(=O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000540911511 484607255 /nfs/dbraw/zinc/60/72/55/484607255.db2.gz DDNGZTNUWRVIDV-CQSZACIVSA-N -1 3 373.413 -0.460 20 0 FBADHM CN(CCOc1ccccc1F)C(=O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000540911673 484608325 /nfs/dbraw/zinc/60/83/25/484608325.db2.gz CPZGPQSLGSRUFR-CYBMUJFWSA-N -1 3 364.377 -0.101 20 0 FBADHM CN(CCOc1ccccc1F)C(=O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000540911682 484608070 /nfs/dbraw/zinc/60/80/70/484608070.db2.gz CPZGPQSLGSRUFR-ZDUSSCGKSA-N -1 3 364.377 -0.101 20 0 FBADHM CC(C)Cc1nnc(NC(=O)CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)s1 ZINC000540911739 484608123 /nfs/dbraw/zinc/60/81/23/484608123.db2.gz HRRALFPNDCJDMY-SECBINFHSA-N -1 3 352.420 -0.089 20 0 FBADHM CC(C)Cc1nnc(NC(=O)CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)s1 ZINC000540911742 484607963 /nfs/dbraw/zinc/60/79/63/484607963.db2.gz HRRALFPNDCJDMY-VIFPVBQESA-N -1 3 352.420 -0.089 20 0 FBADHM Cn1cnn(-c2ccc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)cc2)c1=O ZINC000540913541 484608144 /nfs/dbraw/zinc/60/81/44/484608144.db2.gz XFDJOHXATLFNSR-GFCCVEGCSA-N -1 3 371.357 -0.661 20 0 FBADHM Cn1cnn(-c2ccc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)cc2)c1=O ZINC000540913543 484609243 /nfs/dbraw/zinc/60/92/43/484609243.db2.gz XFDJOHXATLFNSR-LBPRGKRZSA-N -1 3 371.357 -0.661 20 0 FBADHM Cc1cc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)ccc1-n1cnnn1 ZINC000540914337 484609482 /nfs/dbraw/zinc/60/94/82/484609482.db2.gz NMVYZYKVZOFJGN-GFCCVEGCSA-N -1 3 356.346 -0.261 20 0 FBADHM Cc1cc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)ccc1-n1cnnn1 ZINC000540914338 484608750 /nfs/dbraw/zinc/60/87/50/484608750.db2.gz NMVYZYKVZOFJGN-LBPRGKRZSA-N -1 3 356.346 -0.261 20 0 FBADHM CS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1 ZINC000540915096 484608980 /nfs/dbraw/zinc/60/89/80/484608980.db2.gz OBJZJGWNKPLLOR-LLVKDONJSA-N -1 3 352.372 -0.142 20 0 FBADHM CS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1 ZINC000540915097 484608882 /nfs/dbraw/zinc/60/88/82/484608882.db2.gz OBJZJGWNKPLLOR-NSHDSACASA-N -1 3 352.372 -0.142 20 0 FBADHM Cc1nnc(CNC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)s1 ZINC000540956949 484610904 /nfs/dbraw/zinc/61/09/04/484610904.db2.gz UHJJETKYXLHOIQ-UHFFFAOYSA-N -1 3 358.449 -0.127 20 0 FBADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000540963418 484610345 /nfs/dbraw/zinc/61/03/45/484610345.db2.gz OMCBIUNMXBAZSZ-SECBINFHSA-N -1 3 351.388 -0.667 20 0 FBADHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000540963418 484610335 /nfs/dbraw/zinc/61/03/35/484610335.db2.gz OMCBIUNMXBAZSZ-SECBINFHSA-N -1 3 351.388 -0.667 20 0 FBADHM C[C@@H](NC(=O)c1cccc2nn[n-]c21)C(=O)N1CCS(=O)(=O)CC1 ZINC000540963418 484610328 /nfs/dbraw/zinc/61/03/28/484610328.db2.gz OMCBIUNMXBAZSZ-SECBINFHSA-N -1 3 351.388 -0.667 20 0 FBADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000540963419 484610724 /nfs/dbraw/zinc/61/07/24/484610724.db2.gz OMCBIUNMXBAZSZ-VIFPVBQESA-N -1 3 351.388 -0.667 20 0 FBADHM C[C@H](NC(=O)c1cccc2[n-]nnc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000540963419 484610717 /nfs/dbraw/zinc/61/07/17/484610717.db2.gz OMCBIUNMXBAZSZ-VIFPVBQESA-N -1 3 351.388 -0.667 20 0 FBADHM C[C@H](NC(=O)c1cccc2nn[n-]c21)C(=O)N1CCS(=O)(=O)CC1 ZINC000540963419 484610712 /nfs/dbraw/zinc/61/07/12/484610712.db2.gz OMCBIUNMXBAZSZ-VIFPVBQESA-N -1 3 351.388 -0.667 20 0 FBADHM CCOC(=O)c1cc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)[n-]n1 ZINC000540976051 483773911 /nfs/dbraw/zinc/77/39/11/483773911.db2.gz YOGBISZDVUGGGP-UHFFFAOYSA-N -1 3 356.364 -0.763 20 0 FBADHM CCOC(=O)c1cc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)n[n-]1 ZINC000540976051 483773908 /nfs/dbraw/zinc/77/39/08/483773908.db2.gz YOGBISZDVUGGGP-UHFFFAOYSA-N -1 3 356.364 -0.763 20 0 FBADHM COC(=O)Cc1nc(NC(=O)c2ccc(OC)c(-n3cnnn3)c2)n[n-]1 ZINC000541043562 484616870 /nfs/dbraw/zinc/61/68/70/484616870.db2.gz VCLKDLMPZOEBSE-UHFFFAOYSA-N -1 3 358.318 -0.243 20 0 FBADHM COC(=O)Cc1n[n-]c(NC(=O)c2ccc(OC)c(-n3cnnn3)c2)n1 ZINC000541043562 484616863 /nfs/dbraw/zinc/61/68/63/484616863.db2.gz VCLKDLMPZOEBSE-UHFFFAOYSA-N -1 3 358.318 -0.243 20 0 FBADHM COC(=O)Cc1nnc(NC(=O)c2ccc(OC)c(-n3cnnn3)c2)[n-]1 ZINC000541043562 484616857 /nfs/dbraw/zinc/61/68/57/484616857.db2.gz VCLKDLMPZOEBSE-UHFFFAOYSA-N -1 3 358.318 -0.243 20 0 FBADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCNS(C)(=O)=O)c1 ZINC000541107434 484618291 /nfs/dbraw/zinc/61/82/91/484618291.db2.gz RNXRLASOFVRPKB-UHFFFAOYSA-N -1 3 368.408 -0.170 20 0 FBADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCN2C(=O)CNC2=O)c1 ZINC000541118108 484618564 /nfs/dbraw/zinc/61/85/64/484618564.db2.gz RKWDQAOJKJBZHI-UHFFFAOYSA-N -1 3 373.362 -0.168 20 0 FBADHM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000541120656 484618082 /nfs/dbraw/zinc/61/80/82/484618082.db2.gz OBRGAFRXPHKGFS-UHFFFAOYSA-N -1 3 368.408 -0.170 20 0 FBADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCN2CCNC(=O)C2)c1 ZINC000541124111 484618457 /nfs/dbraw/zinc/61/84/57/484618457.db2.gz DDAGFAJMALBJPL-UHFFFAOYSA-N -1 3 359.379 -0.678 20 0 FBADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC(=O)N2CCOCC2)c1 ZINC000541125893 484618271 /nfs/dbraw/zinc/61/82/71/484618271.db2.gz MVLRKDXFONULLO-UHFFFAOYSA-N -1 3 360.363 -0.251 20 0 FBADHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cccc(C(N)=O)c1OC ZINC000541134633 484618190 /nfs/dbraw/zinc/61/81/90/484618190.db2.gz VCAYMLDOVRCYBT-UHFFFAOYSA-N -1 3 359.404 -0.312 20 0 FBADHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC[C@@H]3CCOC3)cnc21 ZINC000541324536 484621337 /nfs/dbraw/zinc/62/13/37/484621337.db2.gz JZRITITWFPNAQT-SECBINFHSA-N -1 3 354.388 -0.261 20 0 FBADHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC[C@H]3CCOC3)cnc21 ZINC000541324539 484621283 /nfs/dbraw/zinc/62/12/83/484621283.db2.gz JZRITITWFPNAQT-VIFPVBQESA-N -1 3 354.388 -0.261 20 0 FBADHM COC(=O)CCN1CC[C@@H](NC(=O)NCc2cnc(C)[n-]c2=O)C1=O ZINC000541344738 484620679 /nfs/dbraw/zinc/62/06/79/484620679.db2.gz LKFPFXZDZMSAMX-LLVKDONJSA-N -1 3 351.363 -0.546 20 0 FBADHM COC(=O)CCN1CC[C@H](NC(=O)NCc2cnc(C)[n-]c2=O)C1=O ZINC000541344747 484621445 /nfs/dbraw/zinc/62/14/45/484621445.db2.gz LKFPFXZDZMSAMX-NSHDSACASA-N -1 3 351.363 -0.546 20 0 FBADHM Cc1ncc(CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(=O)[n-]1 ZINC000541353873 484621233 /nfs/dbraw/zinc/62/12/33/484621233.db2.gz LJHMCKPMMJOTLI-UHFFFAOYSA-N -1 3 370.369 -0.064 20 0 FBADHM Cc1ncc(CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)c(=O)[n-]1 ZINC000541356435 484621067 /nfs/dbraw/zinc/62/10/67/484621067.db2.gz WVVKSQCOLVQURQ-UHFFFAOYSA-N -1 3 354.330 -0.279 20 0 FBADHM Cc1ncc(CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)c(=O)[n-]1 ZINC000541356806 484622559 /nfs/dbraw/zinc/62/25/59/484622559.db2.gz DBXFOVYZACQCGE-UHFFFAOYSA-N -1 3 354.330 -0.279 20 0 FBADHM CN(C)S(=O)(=O)CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000541399346 484622938 /nfs/dbraw/zinc/62/29/38/484622938.db2.gz XNTWIFUDPPHZOJ-AWEZNQCLSA-N -1 3 354.388 -0.429 20 0 FBADHM CN(C)S(=O)(=O)CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000541399347 484623015 /nfs/dbraw/zinc/62/30/15/484623015.db2.gz XNTWIFUDPPHZOJ-CQSZACIVSA-N -1 3 354.388 -0.429 20 0 FBADHM O=C(COCCNC(=O)c1ccccc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000541423375 484622613 /nfs/dbraw/zinc/62/26/13/484622613.db2.gz SGDLJVAGOFCTJK-CYBMUJFWSA-N -1 3 360.370 -0.804 20 0 FBADHM O=C(COCCNC(=O)c1ccccc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000541423379 484622108 /nfs/dbraw/zinc/62/21/08/484622108.db2.gz SGDLJVAGOFCTJK-ZDUSSCGKSA-N -1 3 360.370 -0.804 20 0 FBADHM COC(=O)Cc1nc(NC(=O)COCCNC(=O)c2ccccc2)n[n-]1 ZINC000541434662 484622409 /nfs/dbraw/zinc/62/24/09/484622409.db2.gz XDZDGVBNDRRSFM-UHFFFAOYSA-N -1 3 361.358 -0.095 20 0 FBADHM COC(=O)Cc1nnc(NC(=O)COCCNC(=O)c2ccccc2)[n-]1 ZINC000541434662 484622403 /nfs/dbraw/zinc/62/24/03/484622403.db2.gz XDZDGVBNDRRSFM-UHFFFAOYSA-N -1 3 361.358 -0.095 20 0 FBADHM COC(=O)Cc1n[n-]c(NC(=O)COCCNC(=O)c2ccccc2)n1 ZINC000541434662 484622400 /nfs/dbraw/zinc/62/24/00/484622400.db2.gz XDZDGVBNDRRSFM-UHFFFAOYSA-N -1 3 361.358 -0.095 20 0 FBADHM CCOC(=O)c1ccc(N2CC(NC(=O)CN3CC(=O)[N-]C3=O)C2)nc1 ZINC000541438937 484624256 /nfs/dbraw/zinc/62/42/56/484624256.db2.gz LIKLQWXNNMGLLR-UHFFFAOYSA-N -1 3 361.358 -0.885 20 0 FBADHM Cc1ncc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c(=O)[n-]1 ZINC000541456775 484624097 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ZINC000614820815 484556675 /nfs/dbraw/zinc/55/66/75/484556675.db2.gz BPJISPMTGFSUPY-NXEZZACHSA-N -1 3 362.390 -0.230 20 0 FBADHM Cc1nn(CC(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c(=O)n1C ZINC000614820816 484557024 /nfs/dbraw/zinc/55/70/24/484557024.db2.gz BPJISPMTGFSUPY-UWVGGRQHSA-N -1 3 362.390 -0.230 20 0 FBADHM Cc1nn(CC(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c(=O)n1C ZINC000614820817 484556762 /nfs/dbraw/zinc/55/67/62/484556762.db2.gz BPJISPMTGFSUPY-VHSXEESVSA-N -1 3 362.390 -0.230 20 0 FBADHM Cc1nn(CC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c(=O)n1C ZINC000614820818 484556082 /nfs/dbraw/zinc/55/60/82/484556082.db2.gz BPJISPMTGFSUPY-ZJUUUORDSA-N -1 3 362.390 -0.230 20 0 FBADHM CC(=O)N[C@@H](CC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])C(N)=O ZINC000614821145 484556596 /nfs/dbraw/zinc/55/65/96/484556596.db2.gz GDQXBTMIGCQZEI-KKZNHRDASA-N -1 3 365.390 -0.753 20 0 FBADHM CC(=O)N[C@@H](CC(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])C(N)=O ZINC000614821146 484556941 /nfs/dbraw/zinc/55/69/41/484556941.db2.gz GDQXBTMIGCQZEI-NGZCFLSTSA-N -1 3 365.390 -0.753 20 0 FBADHM CC(=O)N[C@@H](CC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])C(N)=O ZINC000614821147 484557209 /nfs/dbraw/zinc/55/72/09/484557209.db2.gz GDQXBTMIGCQZEI-QXEWZRGKSA-N -1 3 365.390 -0.753 20 0 FBADHM CC(=O)N[C@@H](CC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])C(N)=O ZINC000614821148 484556772 /nfs/dbraw/zinc/55/67/72/484556772.db2.gz GDQXBTMIGCQZEI-YWVKMMECSA-N -1 3 365.390 -0.753 20 0 FBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614822854 484557058 /nfs/dbraw/zinc/55/70/58/484557058.db2.gz BTWRNISIDASXMU-GHMZBOCLSA-N -1 3 362.390 -0.148 20 0 FBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC000614822855 484556787 /nfs/dbraw/zinc/55/67/87/484556787.db2.gz BTWRNISIDASXMU-MNOVXSKESA-N -1 3 362.390 -0.148 20 0 FBADHM C[C@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614822856 484556891 /nfs/dbraw/zinc/55/68/91/484556891.db2.gz BTWRNISIDASXMU-QWRGUYRKSA-N -1 3 362.390 -0.148 20 0 FBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614822857 484557145 /nfs/dbraw/zinc/55/71/45/484557145.db2.gz BTWRNISIDASXMU-WDEREUQCSA-N -1 3 362.390 -0.148 20 0 FBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC000614823713 484556903 /nfs/dbraw/zinc/55/69/03/484556903.db2.gz RYDANPVIKMLFTR-BDAKNGLRSA-N -1 3 361.362 -0.743 20 0 FBADHM C[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823714 484556864 /nfs/dbraw/zinc/55/68/64/484556864.db2.gz RYDANPVIKMLFTR-DTWKUNHWSA-N -1 3 361.362 -0.743 20 0 FBADHM C[C@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823715 484556397 /nfs/dbraw/zinc/55/63/97/484556397.db2.gz RYDANPVIKMLFTR-IUCAKERBSA-N -1 3 361.362 -0.743 20 0 FBADHM C[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823716 484556501 /nfs/dbraw/zinc/55/65/01/484556501.db2.gz RYDANPVIKMLFTR-RKDXNWHRSA-N -1 3 361.362 -0.743 20 0 FBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC000614824679 484557161 /nfs/dbraw/zinc/55/71/61/484557161.db2.gz FYTNDFPNSUZOAH-NEPJUHHUSA-N -1 3 363.418 -0.360 20 0 FBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824682 484556841 /nfs/dbraw/zinc/55/68/41/484556841.db2.gz FYTNDFPNSUZOAH-NWDGAFQWSA-N -1 3 363.418 -0.360 20 0 FBADHM C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824684 484556382 /nfs/dbraw/zinc/55/63/82/484556382.db2.gz FYTNDFPNSUZOAH-RYUDHWBXSA-N -1 3 363.418 -0.360 20 0 FBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824685 484556169 /nfs/dbraw/zinc/55/61/69/484556169.db2.gz FYTNDFPNSUZOAH-VXGBXAGGSA-N -1 3 363.418 -0.360 20 0 FBADHM C[C@@H](NC(=O)c1nc2n(n1)CCCN2)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824783 484556038 /nfs/dbraw/zinc/55/60/38/484556038.db2.gz KTHYEHQBTPSFEB-NXEZZACHSA-N -1 3 359.390 -0.155 20 0 FBADHM C[C@H](NC(=O)c1nc2n(n1)CCCN2)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824784 484556816 /nfs/dbraw/zinc/55/68/16/484556816.db2.gz KTHYEHQBTPSFEB-UWVGGRQHSA-N -1 3 359.390 -0.155 20 0 FBADHM C[C@@H](NC(=O)c1nc2n(n1)CCCN2)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824785 484556541 /nfs/dbraw/zinc/55/65/41/484556541.db2.gz KTHYEHQBTPSFEB-VHSXEESVSA-N -1 3 359.390 -0.155 20 0 FBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1nc2n(n1)CCCN2 ZINC000614824786 484556416 /nfs/dbraw/zinc/55/64/16/484556416.db2.gz KTHYEHQBTPSFEB-ZJUUUORDSA-N -1 3 359.390 -0.155 20 0 FBADHM C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825008 484556451 /nfs/dbraw/zinc/55/64/51/484556451.db2.gz XSCIIMSPOFOWGS-GUBZILKMSA-N -1 3 356.404 -0.442 20 0 FBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000614825009 484556296 /nfs/dbraw/zinc/55/62/96/484556296.db2.gz XSCIIMSPOFOWGS-KXUCPTDWSA-N -1 3 356.404 -0.442 20 0 FBADHM C[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825317 484556965 /nfs/dbraw/zinc/55/69/65/484556965.db2.gz XSCIIMSPOFOWGS-LPEHRKFASA-N -1 3 356.404 -0.442 20 0 FBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000614825318 484556853 /nfs/dbraw/zinc/55/68/53/484556853.db2.gz XSCIIMSPOFOWGS-UTLUCORTSA-N -1 3 356.404 -0.442 20 0 FBADHM C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825737 484556488 /nfs/dbraw/zinc/55/64/88/484556488.db2.gz YYHSSFPCHYZXDJ-NXEZZACHSA-N -1 3 358.420 -0.194 20 0 FBADHM C[C@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825738 484556929 /nfs/dbraw/zinc/55/69/29/484556929.db2.gz YYHSSFPCHYZXDJ-UWVGGRQHSA-N -1 3 358.420 -0.194 20 0 FBADHM C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825739 484556441 /nfs/dbraw/zinc/55/64/41/484556441.db2.gz YYHSSFPCHYZXDJ-VHSXEESVSA-N -1 3 358.420 -0.194 20 0 FBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC000614825740 484556699 /nfs/dbraw/zinc/55/66/99/484556699.db2.gz YYHSSFPCHYZXDJ-ZJUUUORDSA-N -1 3 358.420 -0.194 20 0 FBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825981 484556661 /nfs/dbraw/zinc/55/66/61/484556661.db2.gz ZZHRWPRDQMCMKP-NXEZZACHSA-N -1 3 363.374 -0.192 20 0 FBADHM C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825982 484556953 /nfs/dbraw/zinc/55/69/53/484556953.db2.gz ZZHRWPRDQMCMKP-UWVGGRQHSA-N -1 3 363.374 -0.192 20 0 FBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825983 484556629 /nfs/dbraw/zinc/55/66/29/484556629.db2.gz ZZHRWPRDQMCMKP-VHSXEESVSA-N -1 3 363.374 -0.192 20 0 FBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC000614825984 484556615 /nfs/dbraw/zinc/55/66/15/484556615.db2.gz ZZHRWPRDQMCMKP-ZJUUUORDSA-N -1 3 363.374 -0.192 20 0 FBADHM C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614826263 484557192 /nfs/dbraw/zinc/55/71/92/484557192.db2.gz RQRJPRJTOSNAHF-NXEZZACHSA-N -1 3 373.435 -0.738 20 0 FBADHM C[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614826264 484556730 /nfs/dbraw/zinc/55/67/30/484556730.db2.gz RQRJPRJTOSNAHF-UWVGGRQHSA-N -1 3 373.435 -0.738 20 0 FBADHM C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614826265 484556516 /nfs/dbraw/zinc/55/65/16/484556516.db2.gz RQRJPRJTOSNAHF-VHSXEESVSA-N -1 3 373.435 -0.738 20 0 FBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC000614826266 484556917 /nfs/dbraw/zinc/55/69/17/484556917.db2.gz RQRJPRJTOSNAHF-ZJUUUORDSA-N -1 3 373.435 -0.738 20 0 FBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)C1(S(N)(=O)=O)CC1 ZINC000614826267 484556649 /nfs/dbraw/zinc/55/66/49/484556649.db2.gz RRCUIJKFUZMOAN-BDAKNGLRSA-N -1 3 356.404 -0.312 20 0 FBADHM C[C@@H](NC(=O)C1(S(N)(=O)=O)CC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614826268 484556606 /nfs/dbraw/zinc/55/66/06/484556606.db2.gz RRCUIJKFUZMOAN-DTWKUNHWSA-N -1 3 356.404 -0.312 20 0 FBADHM C[C@H](NC(=O)C1(S(N)(=O)=O)CC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614826269 484556828 /nfs/dbraw/zinc/55/68/28/484556828.db2.gz RRCUIJKFUZMOAN-IUCAKERBSA-N -1 3 356.404 -0.312 20 0 FBADHM C[C@@H](NC(=O)C1(S(N)(=O)=O)CC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614826270 484556330 /nfs/dbraw/zinc/55/63/30/484556330.db2.gz RRCUIJKFUZMOAN-RKDXNWHRSA-N -1 3 356.404 -0.312 20 0 FBADHM CC(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827226 484556723 /nfs/dbraw/zinc/55/67/23/484556723.db2.gz ZIMRGQNJXQPLJP-SRVKXCTJSA-N -1 3 366.418 0.000 20 0 FBADHM CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827227 484556459 /nfs/dbraw/zinc/55/64/59/484556459.db2.gz ZIMRGQNJXQPLJP-TUAOUCFPSA-N -1 3 366.418 0.000 20 0 FBADHM CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827228 484556211 /nfs/dbraw/zinc/55/62/11/484556211.db2.gz ZIMRGQNJXQPLJP-UTUOFQBUSA-N -1 3 366.418 0.000 20 0 FBADHM CC(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827229 484556556 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ZINC000654694271 484372151 /nfs/dbraw/zinc/37/21/51/484372151.db2.gz YOBVGYQPKXBREX-MLGOLLRUSA-N -1 3 365.411 -0.065 20 0 FBADHM C[C@@]1(c2ccc(CNC(=O)[C@H]3CCCS3(=O)=O)cc2)NC(=O)[N-]C1=O ZINC000654694272 484372519 /nfs/dbraw/zinc/37/25/19/484372519.db2.gz YOBVGYQPKXBREX-WBMJQRKESA-N -1 3 365.411 -0.065 20 0 FBADHM Cc1nn(CC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c(=O)n1C ZINC000654880312 484446917 /nfs/dbraw/zinc/44/69/17/484446917.db2.gz OZSPHLREZZAQQZ-UHFFFAOYSA-N -1 3 359.386 -0.420 20 0 FBADHM Cc1nn(CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(=O)n1C ZINC000654896230 484452657 /nfs/dbraw/zinc/45/26/57/484452657.db2.gz JIRQANNHNNHGPE-UHFFFAOYSA-N -1 3 359.386 -0.420 20 0 FBADHM Cc1nn(CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(=O)n1C ZINC000654896518 484452313 /nfs/dbraw/zinc/45/23/13/484452313.db2.gz XOCYNOYKXCYOSA-UHFFFAOYSA-N -1 3 359.386 -0.420 20 0 FBADHM Cc1nn(CC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)c(=O)n1C ZINC000654978333 484476104 /nfs/dbraw/zinc/47/61/04/484476104.db2.gz ZPPKUOZBNUHNBJ-GFCCVEGCSA-N -1 3 358.358 -0.721 20 0 FBADHM Cc1nn(CC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)c(=O)n1C ZINC000654978334 484476567 /nfs/dbraw/zinc/47/65/67/484476567.db2.gz ZPPKUOZBNUHNBJ-LBPRGKRZSA-N -1 3 358.358 -0.721 20 0 FBADHM CN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1(C)C ZINC000655051492 484480296 /nfs/dbraw/zinc/48/02/96/484480296.db2.gz CFNLOTNTBDCPJT-UHFFFAOYSA-N -1 3 358.420 -0.791 20 0 FBADHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCN(C)C(C)(C)C2)cn1C ZINC000655051569 484480095 /nfs/dbraw/zinc/48/00/95/484480095.db2.gz QKNFIIUYKMIGBF-UHFFFAOYSA-N -1 3 357.480 -0.050 20 0 FBADHM C[C@H](CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NC(N)=O ZINC000655054444 484479996 /nfs/dbraw/zinc/47/99/96/484479996.db2.gz VFWQNALWPNDIFT-MRVPVSSYSA-N -1 3 364.374 -0.194 20 0 FBADHM C[C@@H](CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NC(N)=O ZINC000655054445 484480128 /nfs/dbraw/zinc/48/01/28/484480128.db2.gz VFWQNALWPNDIFT-QMMMGPOBSA-N -1 3 364.374 -0.194 20 0 FBADHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CC(=O)N(C)C1=O ZINC000655058934 484480494 /nfs/dbraw/zinc/48/04/94/484480494.db2.gz BDWGGTUMVOZYFY-WCBMZHEXSA-N -1 3 357.363 -0.634 20 0 FBADHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CC(=O)N(C)C1=O ZINC000655058935 484480788 /nfs/dbraw/zinc/48/07/88/484480788.db2.gz BDWGGTUMVOZYFY-WPRPVWTQSA-N -1 3 357.363 -0.634 20 0 FBADHM CN1C(=O)C[C@H](NC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)C1=O ZINC000655058944 484480803 /nfs/dbraw/zinc/48/08/03/484480803.db2.gz BWMFUDVXIBJKKM-JTQLQIEISA-N -1 3 371.353 -0.601 20 0 FBADHM CN1C(=O)C[C@@H](NC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)C1=O ZINC000655058945 484480515 /nfs/dbraw/zinc/48/05/15/484480515.db2.gz BWMFUDVXIBJKKM-SNVBAGLBSA-N -1 3 371.353 -0.601 20 0 FBADHM CN1C(=O)C[C@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1=O ZINC000655059696 484480307 /nfs/dbraw/zinc/48/03/07/484480307.db2.gz UYQSVYNUSHQHGF-JTQLQIEISA-N -1 3 357.363 -0.632 20 0 FBADHM CN1C(=O)C[C@@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1=O ZINC000655059697 484480256 /nfs/dbraw/zinc/48/02/56/484480256.db2.gz UYQSVYNUSHQHGF-SNVBAGLBSA-N -1 3 357.363 -0.632 20 0 FBADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC(=O)N(C)C1=O ZINC000655060416 484480374 /nfs/dbraw/zinc/48/03/74/484480374.db2.gz FRMXVHZBMMAVSV-CYBMUJFWSA-N -1 3 369.381 -0.054 20 0 FBADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC(=O)N(C)C1=O ZINC000655060417 484480420 /nfs/dbraw/zinc/48/04/20/484480420.db2.gz FRMXVHZBMMAVSV-ZDUSSCGKSA-N -1 3 369.381 -0.054 20 0 FBADHM O=C(NCCc1nc[nH]n1)c1cccc(C(=O)NCCc2nnc[nH]2)c1[O-] ZINC000655115895 484485989 /nfs/dbraw/zinc/48/59/89/484485989.db2.gz GGVVLKSVOFWJHT-UHFFFAOYSA-N -1 3 370.373 -0.427 20 0 FBADHM Cn1c(C(=O)NCc2nc(C(C)(C)C)n[n-]2)cc2c1n(C)c(=O)n(C)c2=O ZINC000655200385 484497542 /nfs/dbraw/zinc/49/75/42/484497542.db2.gz GRBRGQCSGQPHLV-UHFFFAOYSA-N -1 3 373.417 -0.079 20 0 FBADHM CO[C@@](C)(CO)CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000655207448 483393311 /nfs/dbraw/zinc/39/33/11/483393311.db2.gz VKCVZVPHZWFZRG-LLVKDONJSA-N -1 3 350.169 -0.775 20 0 FBADHM CO[C@](C)(CO)CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000655207449 483393251 /nfs/dbraw/zinc/39/32/51/483393251.db2.gz VKCVZVPHZWFZRG-NSHDSACASA-N -1 3 350.169 -0.775 20 0 FBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCn2nncc2C1 ZINC000655228585 483461663 /nfs/dbraw/zinc/46/16/63/483461663.db2.gz QYSBHSYCHNDSSE-VIFPVBQESA-N -1 3 354.392 -0.408 20 0 FBADHM C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655242739 483495120 /nfs/dbraw/zinc/49/51/20/483495120.db2.gz DVNPNVMYCZYJDP-RWMBFGLXSA-N -1 3 373.479 -0.688 20 0 FBADHM C[C@H](CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655242741 483494938 /nfs/dbraw/zinc/49/49/38/483494938.db2.gz DVNPNVMYCZYJDP-UPJWGTAASA-N -1 3 373.479 -0.688 20 0 FBADHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2nnn(C(C)(C)C)n2)cn1 ZINC000655251404 483533623 /nfs/dbraw/zinc/53/36/23/483533623.db2.gz UGGZCMXGIKKINF-UHFFFAOYSA-N -1 3 353.408 -0.339 20 0 FBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCc2nnn(C(C)(C)C)n2)cn1C 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RPEXQIDBSHQEEH-RWMBFGLXSA-N -1 3 371.434 -0.230 20 0 FBADHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655299317 483637309 /nfs/dbraw/zinc/63/73/09/483637309.db2.gz JYGCWEUFSGCEJU-QWHCGFSZSA-N -1 3 370.409 -0.465 20 0 FBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655299353 483638375 /nfs/dbraw/zinc/63/83/75/483638375.db2.gz NKDMHUYZZOWWNW-WCFLWFBJSA-N -1 3 372.447 -0.764 20 0 FBADHM Cn1nnc2c1CC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)C2 ZINC000655301015 483637267 /nfs/dbraw/zinc/63/72/67/483637267.db2.gz FVLXZDITOAFOEB-JTQLQIEISA-N -1 3 367.406 -0.094 20 0 FBADHM Cn1nnc2c1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)C2 ZINC000655301016 483637542 /nfs/dbraw/zinc/63/75/42/483637542.db2.gz FVLXZDITOAFOEB-SNVBAGLBSA-N -1 3 367.406 -0.094 20 0 FBADHM Cn1nnc2c1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C2 ZINC000655301038 483637726 /nfs/dbraw/zinc/63/77/26/483637726.db2.gz GHUNTRGJZXLQTB-SECBINFHSA-N -1 3 355.445 -0.171 20 0 FBADHM Cn1nnc2c1CC[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C2 ZINC000655301039 483637428 /nfs/dbraw/zinc/63/74/28/483637428.db2.gz GHUNTRGJZXLQTB-VIFPVBQESA-N -1 3 355.445 -0.171 20 0 FBADHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3c(nnn3C)C2)cn1 ZINC000655301876 483639458 /nfs/dbraw/zinc/63/94/58/483639458.db2.gz IDTGZBPAZVANSA-JTQLQIEISA-N -1 3 350.404 -0.595 20 0 FBADHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3c(nnn3C)C2)cn1 ZINC000655301883 483639894 /nfs/dbraw/zinc/63/98/94/483639894.db2.gz IDTGZBPAZVANSA-SNVBAGLBSA-N -1 3 350.404 -0.595 20 0 FBADHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@]1(C(N)=O)CCOC1 ZINC000655321683 483651297 /nfs/dbraw/zinc/65/12/97/483651297.db2.gz PEXMJOQSDJLDML-LKFCYVNXSA-N -1 3 359.379 -0.747 20 0 FBADHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@]1(C(N)=O)CCOC1 ZINC000655321684 483651158 /nfs/dbraw/zinc/65/11/58/483651158.db2.gz PEXMJOQSDJLDML-XPTSAGLGSA-N -1 3 359.379 -0.747 20 0 FBADHM Cc1noc(CN(C)C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000655357097 483662060 /nfs/dbraw/zinc/66/20/60/483662060.db2.gz RFMMOUZXMGIALQ-UHFFFAOYSA-N -1 3 356.408 -0.253 20 0 FBADHM O=C(Cc1cncc([O-])c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000655388162 483852703 /nfs/dbraw/zinc/85/27/03/483852703.db2.gz XXGMIXBTUQAAFK-UHFFFAOYSA-N -1 3 370.431 -0.949 20 0 FBADHM CS(=O)(=O)N1CCC(CC(=O)Nc2n[n-]c(SCCO)n2)CC1 ZINC000655392819 483855189 /nfs/dbraw/zinc/85/51/89/483855189.db2.gz ZKELJEYSBVIWSM-UHFFFAOYSA-N -1 3 363.465 -0.111 20 0 FBADHM CS(=O)(=O)N1CCC(CC(=O)Nc2nc(SCCO)n[n-]2)CC1 ZINC000655392819 483855186 /nfs/dbraw/zinc/85/51/86/483855186.db2.gz ZKELJEYSBVIWSM-UHFFFAOYSA-N -1 3 363.465 -0.111 20 0 FBADHM CS(=O)(=O)N1CCC(CC(=O)Nc2nnc(SCCO)[n-]2)CC1 ZINC000655392819 483855182 /nfs/dbraw/zinc/85/51/82/483855182.db2.gz ZKELJEYSBVIWSM-UHFFFAOYSA-N -1 3 363.465 -0.111 20 0 FBADHM COCCCS(=O)(=O)N1CCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000655393261 483854924 /nfs/dbraw/zinc/85/49/24/483854924.db2.gz AODSXPDSONIJJH-UHFFFAOYSA-N -1 3 357.432 -0.160 20 0 FBADHM 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/nfs/dbraw/zinc/56/75/39/483567539.db2.gz BAYPSUCHTYOBTC-SNVBAGLBSA-N -1 3 373.406 -0.150 20 0 FBADHM COc1cccc(S(=O)(=O)[N-]CCNS(=O)(=O)NC(C)C)c1F ZINC000655570773 483894835 /nfs/dbraw/zinc/89/48/35/483894835.db2.gz JQUHEZOOUNBCLS-UHFFFAOYSA-N -1 3 369.440 -0.055 20 0 FBADHM COc1cccc(S(=O)(=O)[N-]CCNS(=O)(=O)N(C)C)c1F ZINC000655589762 484004396 /nfs/dbraw/zinc/00/43/96/484004396.db2.gz GYNRIDSZFLKIRX-UHFFFAOYSA-N -1 3 355.413 -0.491 20 0 FBADHM COc1cccc(S(=O)(=O)[N-]CCOCCS(N)(=O)=O)c1F ZINC000655590006 484006307 /nfs/dbraw/zinc/00/63/07/484006307.db2.gz PFBXHTLCJBMJMI-UHFFFAOYSA-N -1 3 356.397 -0.582 20 0 FBADHM CCN(c1cnn(C)c1)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000655594894 484013554 /nfs/dbraw/zinc/01/35/54/484013554.db2.gz GOOHONUTLWUNNC-UHFFFAOYSA-N -1 3 364.387 -0.017 20 0 FBADHM COc1cccc(S(=O)(=O)[N-]C[C@]2(O)CCS(=O)(=O)C2)c1F ZINC000655601046 484019173 /nfs/dbraw/zinc/01/91/73/484019173.db2.gz DSYUFVVUFYLGDW-GFCCVEGCSA-N -1 3 353.393 -0.338 20 0 FBADHM 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484535406 /nfs/dbraw/zinc/53/54/06/484535406.db2.gz JGHWVZGSGCTWLU-NSHDSACASA-N -1 3 350.375 -0.424 20 0 FBADHM COc1cccc(S(=O)(=O)[N-]CCN2CCS(=O)(=O)CC2)c1F ZINC000656183015 484605459 /nfs/dbraw/zinc/60/54/59/484605459.db2.gz JDJTXGFQZXVCSY-UHFFFAOYSA-N -1 3 366.436 -0.157 20 0 FBADHM CO[C@@](C)(CO)CN=c1cc(NC[C@@](C)(CO)OC)n2[n-]cnc2n1 ZINC000656208536 484614081 /nfs/dbraw/zinc/61/40/81/484614081.db2.gz NIUCBKDDWCBMRH-CABCVRRESA-N -1 3 354.411 -0.835 20 0 FBADHM CO[C@](C)(CO)CN=c1cc(NC[C@@](C)(CO)OC)n2[n-]cnc2n1 ZINC000656208537 484613758 /nfs/dbraw/zinc/61/37/58/484613758.db2.gz NIUCBKDDWCBMRH-GJZGRUSLSA-N -1 3 354.411 -0.835 20 0 FBADHM CO[C@@](C)(CO)CN=c1cc(NC[C@](C)(CO)OC)n2[n-]cnc2n1 ZINC000656208538 484614141 /nfs/dbraw/zinc/61/41/41/484614141.db2.gz NIUCBKDDWCBMRH-HUUCEWRRSA-N -1 3 354.411 -0.835 20 0 FBADHM CO[C@@](C)(CO)CNc1cc(=NC[C@@](C)(CO)OC)nc2nc[n-]n21 ZINC000656208539 484614562 /nfs/dbraw/zinc/61/45/62/484614562.db2.gz NIUCBKDDWCBMRH-LSDHHAIUSA-N -1 3 354.411 -0.835 20 0 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/nfs/dbraw/zinc/65/91/76/484659176.db2.gz TXCWJYRMSBZJGB-UHFFFAOYSA-N -1 3 358.482 -0.571 20 0 FBADHM Cc1cc(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)n[nH]1 ZINC000656383055 484658842 /nfs/dbraw/zinc/65/88/42/484658842.db2.gz BPPYYPWOVNPPFR-UHFFFAOYSA-N -1 3 362.437 -0.307 20 0 FBADHM Cc1cc(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)[nH]n1 ZINC000656383055 484658837 /nfs/dbraw/zinc/65/88/37/484658837.db2.gz BPPYYPWOVNPPFR-UHFFFAOYSA-N -1 3 362.437 -0.307 20 0 FBADHM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1)C(C)(C)O ZINC000656383425 484659307 /nfs/dbraw/zinc/65/93/07/484659307.db2.gz NMHBEDZNFXWYTF-SECBINFHSA-N -1 3 354.454 -0.380 20 0 FBADHM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1)C(C)(C)O ZINC000656383426 484659342 /nfs/dbraw/zinc/65/93/42/484659342.db2.gz NMHBEDZNFXWYTF-VIFPVBQESA-N -1 3 354.454 -0.380 20 0 FBADHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C(C)(C)O ZINC000656383475 484660319 /nfs/dbraw/zinc/66/03/19/484660319.db2.gz VGAGJIUTMZYALY-JTQLQIEISA-N -1 3 368.481 -0.071 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FBADHM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735536348 598457638 /nfs/dbraw/zinc/45/76/38/598457638.db2.gz DJOSBPJWHMYWCH-LLVKDONJSA-N -1 3 370.417 -0.313 20 0 FBADHM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735536349 598457585 /nfs/dbraw/zinc/45/75/85/598457585.db2.gz DJOSBPJWHMYWCH-NSHDSACASA-N -1 3 370.417 -0.313 20 0 FBADHM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735536349 598457583 /nfs/dbraw/zinc/45/75/83/598457583.db2.gz DJOSBPJWHMYWCH-NSHDSACASA-N -1 3 370.417 -0.313 20 0 FBADHM C[C@@H](C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)N1C(=O)CCC1=O ZINC000735537947 599219968 /nfs/dbraw/zinc/21/99/68/599219968.db2.gz UKVDRWSAPLFDQF-JTQLQIEISA-N -1 3 358.358 -0.101 20 0 FBADHM C[C@H](C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)N1C(=O)CCC1=O ZINC000735537948 599220192 /nfs/dbraw/zinc/22/01/92/599220192.db2.gz UKVDRWSAPLFDQF-SNVBAGLBSA-N -1 3 358.358 -0.101 20 0 FBADHM C[C@H](C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)N1C(=O)CCC1=O ZINC000735538199 598499067 /nfs/dbraw/zinc/49/90/67/598499067.db2.gz XWRHZOORJSUMOM-SECBINFHSA-N -1 3 358.362 -0.673 20 0 FBADHM C[C@H](C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)N1C(=O)CCC1=O ZINC000735538199 598499066 /nfs/dbraw/zinc/49/90/66/598499066.db2.gz XWRHZOORJSUMOM-SECBINFHSA-N -1 3 358.362 -0.673 20 0 FBADHM C[C@@H](C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)N1C(=O)CCC1=O ZINC000735538200 598499563 /nfs/dbraw/zinc/49/95/63/598499563.db2.gz XWRHZOORJSUMOM-VIFPVBQESA-N -1 3 358.362 -0.673 20 0 FBADHM C[C@@H](C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)N1C(=O)CCC1=O ZINC000735538200 598499560 /nfs/dbraw/zinc/49/95/60/598499560.db2.gz XWRHZOORJSUMOM-VIFPVBQESA-N -1 3 358.362 -0.673 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000735560686 599288076 /nfs/dbraw/zinc/28/80/76/599288076.db2.gz FPGZNTYSSASYAM-ABKXIKBNSA-N -1 3 370.373 -0.522 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000735560686 599288074 /nfs/dbraw/zinc/28/80/74/599288074.db2.gz FPGZNTYSSASYAM-ABKXIKBNSA-N 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C[C@@H](C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)N1C(=O)CCC1=O ZINC000735569307 599119594 /nfs/dbraw/zinc/11/95/94/599119594.db2.gz GMXUHACWWGVGCJ-ISVAXAHUSA-N -1 3 372.341 -0.526 20 0 FBADHM C[C@H](C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)N1C(=O)CCC1=O ZINC000735569322 599119416 /nfs/dbraw/zinc/11/94/16/599119416.db2.gz GMXUHACWWGVGCJ-OQPBUACISA-N -1 3 372.341 -0.526 20 0 FBADHM C[C@H](C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)N1C(=O)CCC1=O ZINC000735569322 599119414 /nfs/dbraw/zinc/11/94/14/599119414.db2.gz GMXUHACWWGVGCJ-OQPBUACISA-N -1 3 372.341 -0.526 20 0 FBADHM C[C@@H](C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)N1C(=O)CCC1=O ZINC000735569324 599119833 /nfs/dbraw/zinc/11/98/33/599119833.db2.gz GMXUHACWWGVGCJ-SDBXPKJASA-N -1 3 372.341 -0.526 20 0 FBADHM C[C@@H](C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)N1C(=O)CCC1=O ZINC000735569324 599119831 /nfs/dbraw/zinc/11/98/31/599119831.db2.gz GMXUHACWWGVGCJ-SDBXPKJASA-N -1 3 372.341 -0.526 20 0 FBADHM 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/nfs/dbraw/zinc/60/38/81/598603881.db2.gz RVZBWCBRXUMXKA-NSHDSACASA-N -1 3 362.394 -0.164 20 0 FBADHM CC(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735684749 598634723 /nfs/dbraw/zinc/63/47/23/598634723.db2.gz IVIXLCYRIHMROH-UHFFFAOYSA-N -1 3 363.353 -0.167 20 0 FBADHM CC(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735684749 598634722 /nfs/dbraw/zinc/63/47/22/598634722.db2.gz IVIXLCYRIHMROH-UHFFFAOYSA-N -1 3 363.353 -0.167 20 0 FBADHM CC(C)C(=O)NCCNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000735684773 599256513 /nfs/dbraw/zinc/25/65/13/599256513.db2.gz KBRLBPNMVKNTPF-UHFFFAOYSA-N -1 3 353.408 -0.302 20 0 FBADHM CC(C)C(=O)NCCNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000735684773 599256511 /nfs/dbraw/zinc/25/65/11/599256511.db2.gz KBRLBPNMVKNTPF-UHFFFAOYSA-N -1 3 353.408 -0.302 20 0 FBADHM CC(C)C(=O)COC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735684853 598474792 /nfs/dbraw/zinc/47/47/92/598474792.db2.gz WFJJPLZRAQMXQD-UHFFFAOYSA-N -1 3 367.387 -0.087 20 0 FBADHM CC(C)C(=O)COC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735684853 598474791 /nfs/dbraw/zinc/47/47/91/598474791.db2.gz WFJJPLZRAQMXQD-UHFFFAOYSA-N -1 3 367.387 -0.087 20 0 FBADHM CC(C)C(=O)NCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735685705 598399432 /nfs/dbraw/zinc/39/94/32/598399432.db2.gz YWPXIYMVLIXXOQ-UHFFFAOYSA-N -1 3 359.390 -0.515 20 0 FBADHM CC(C)C(=O)NCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735685705 598399430 /nfs/dbraw/zinc/39/94/30/598399430.db2.gz YWPXIYMVLIXXOQ-UHFFFAOYSA-N -1 3 359.390 -0.515 20 0 FBADHM CC(C)[C@H](C(=O)OCCn1ncc(-c2nn[n-]n2)c1N)N1CCCC1=O ZINC000735693068 598857155 /nfs/dbraw/zinc/85/71/55/598857155.db2.gz WCEGXLGNKMMNTL-GFCCVEGCSA-N -1 3 362.394 -0.164 20 0 FBADHM CC(C)[C@H](C(=O)OCCn1ncc(-c2nnn[n-]2)c1N)N1CCCC1=O ZINC000735693068 598857154 /nfs/dbraw/zinc/85/71/54/598857154.db2.gz WCEGXLGNKMMNTL-GFCCVEGCSA-N -1 3 362.394 -0.164 20 0 FBADHM CC(C)[C@@H](C(=O)OCCn1ncc(-c2nn[n-]n2)c1N)N1CCCC1=O ZINC000735693069 598856787 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3 369.389 -0.126 20 0 FBADHM CC(C)[C@H]1C(=O)NCCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735746626 598539076 /nfs/dbraw/zinc/53/90/76/598539076.db2.gz FQMMOSRSKXRCNL-HNNXBMFYSA-N -1 3 357.418 -0.061 20 0 FBADHM CC(C)[C@H]1C(=O)NCCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735746626 598539074 /nfs/dbraw/zinc/53/90/74/598539074.db2.gz FQMMOSRSKXRCNL-HNNXBMFYSA-N -1 3 357.418 -0.061 20 0 FBADHM CC(C)[C@@H]1C(=O)NCCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735746627 598539008 /nfs/dbraw/zinc/53/90/08/598539008.db2.gz FQMMOSRSKXRCNL-OAHLLOKOSA-N -1 3 357.418 -0.061 20 0 FBADHM CC(C)[C@@H]1C(=O)NCCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735746627 598539006 /nfs/dbraw/zinc/53/90/06/598539006.db2.gz FQMMOSRSKXRCNL-OAHLLOKOSA-N -1 3 357.418 -0.061 20 0 FBADHM CC(C)[C@H]1C(=O)NCCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735748391 598539272 /nfs/dbraw/zinc/53/92/72/598539272.db2.gz XIFCDAJMXPVHNF-HNNXBMFYSA-N -1 3 357.418 -0.061 20 0 FBADHM CC(C)[C@H]1C(=O)NCCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735748391 598539270 /nfs/dbraw/zinc/53/92/70/598539270.db2.gz XIFCDAJMXPVHNF-HNNXBMFYSA-N -1 3 357.418 -0.061 20 0 FBADHM CC(C)[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735748392 598539411 /nfs/dbraw/zinc/53/94/11/598539411.db2.gz XIFCDAJMXPVHNF-OAHLLOKOSA-N -1 3 357.418 -0.061 20 0 FBADHM CC(C)[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735748392 598539410 /nfs/dbraw/zinc/53/94/10/598539410.db2.gz XIFCDAJMXPVHNF-OAHLLOKOSA-N -1 3 357.418 -0.061 20 0 FBADHM CC(C)[C@@H]1C(=O)NCCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735748918 598973078 /nfs/dbraw/zinc/97/30/78/598973078.db2.gz ZALXGOAHUBHKAN-GFCCVEGCSA-N -1 3 373.421 -0.160 20 0 FBADHM CC(C)[C@@H]1C(=O)NCCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735748918 598973076 /nfs/dbraw/zinc/97/30/76/598973076.db2.gz ZALXGOAHUBHKAN-GFCCVEGCSA-N -1 3 373.421 -0.160 20 0 FBADHM CC(C)[C@H]1C(=O)NCCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735748920 598972876 /nfs/dbraw/zinc/97/28/76/598972876.db2.gz ZALXGOAHUBHKAN-LBPRGKRZSA-N -1 3 373.421 -0.160 20 0 FBADHM CC(C)[C@H]1C(=O)NCCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735748920 598972875 /nfs/dbraw/zinc/97/28/75/598972875.db2.gz ZALXGOAHUBHKAN-LBPRGKRZSA-N -1 3 373.421 -0.160 20 0 FBADHM CC(C)[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735748934 598541678 /nfs/dbraw/zinc/54/16/78/598541678.db2.gz ZBXIKIHFEOZLPL-AWEZNQCLSA-N -1 3 371.401 -0.421 20 0 FBADHM CC(C)[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735748934 598541676 /nfs/dbraw/zinc/54/16/76/598541676.db2.gz ZBXIKIHFEOZLPL-AWEZNQCLSA-N -1 3 371.401 -0.421 20 0 FBADHM CC(C)[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735748936 598541780 /nfs/dbraw/zinc/54/17/80/598541780.db2.gz ZBXIKIHFEOZLPL-CQSZACIVSA-N -1 3 371.401 -0.421 20 0 FBADHM CC(C)[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735748936 598541778 /nfs/dbraw/zinc/54/17/78/598541778.db2.gz ZBXIKIHFEOZLPL-CQSZACIVSA-N -1 3 371.401 -0.421 20 0 FBADHM CC(C)CCC(=O)NCC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735794872 598739484 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20 0 FBADHM C[C@@H](CN1CCCC1=O)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736002654 598402535 /nfs/dbraw/zinc/40/25/35/598402535.db2.gz SGOPACIXVUVXKD-NSHDSACASA-N -1 3 371.401 -0.276 20 0 FBADHM C[C@@H](CN1CCCC1=O)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736002654 598402533 /nfs/dbraw/zinc/40/25/33/598402533.db2.gz SGOPACIXVUVXKD-NSHDSACASA-N -1 3 371.401 -0.276 20 0 FBADHM C[C@H](CN1CCOCC1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736008783 598402759 /nfs/dbraw/zinc/40/27/59/598402759.db2.gz AKKYZKXVULIQPW-GFCCVEGCSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@H](CN1CCOCC1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736008783 598402758 /nfs/dbraw/zinc/40/27/58/598402758.db2.gz AKKYZKXVULIQPW-GFCCVEGCSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@@H](CN1CCOCC1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736008784 598402896 /nfs/dbraw/zinc/40/28/96/598402896.db2.gz AKKYZKXVULIQPW-LBPRGKRZSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@@H](CN1CCOCC1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736008784 598402894 /nfs/dbraw/zinc/40/28/94/598402894.db2.gz AKKYZKXVULIQPW-LBPRGKRZSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@@H](CN1CCOCC1)Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000736010474 598634477 /nfs/dbraw/zinc/63/44/77/598634477.db2.gz RLISVWRTEMUVRH-JTQLQIEISA-N -1 3 367.435 -0.353 20 0 FBADHM C[C@@H](CN1CCOCC1)Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000736010474 598634475 /nfs/dbraw/zinc/63/44/75/598634475.db2.gz RLISVWRTEMUVRH-JTQLQIEISA-N -1 3 367.435 -0.353 20 0 FBADHM C[C@H](CN1CCOCC1)Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000736010477 598634291 /nfs/dbraw/zinc/63/42/91/598634291.db2.gz RLISVWRTEMUVRH-SNVBAGLBSA-N -1 3 367.435 -0.353 20 0 FBADHM C[C@H](CN1CCOCC1)Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000736010477 598634289 /nfs/dbraw/zinc/63/42/89/598634289.db2.gz RLISVWRTEMUVRH-SNVBAGLBSA-N -1 3 367.435 -0.353 20 0 FBADHM C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000736013113 598401080 /nfs/dbraw/zinc/40/10/80/598401080.db2.gz CZWRMIISINBHLH-GFCCVEGCSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCOCC1 ZINC000736013113 598401079 /nfs/dbraw/zinc/40/10/79/598401079.db2.gz CZWRMIISINBHLH-GFCCVEGCSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000736013115 598401006 /nfs/dbraw/zinc/40/10/06/598401006.db2.gz CZWRMIISINBHLH-LBPRGKRZSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCOCC1 ZINC000736013115 598401005 /nfs/dbraw/zinc/40/10/05/598401005.db2.gz CZWRMIISINBHLH-LBPRGKRZSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCN(C)CC1 ZINC000736025224 599050103 /nfs/dbraw/zinc/05/01/03/599050103.db2.gz FEOHDCKZGSRWTN-LLVKDONJSA-N -1 3 366.451 -0.824 20 0 FBADHM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCN(C)CC1 ZINC000736025226 599049875 /nfs/dbraw/zinc/04/98/75/599049875.db2.gz FEOHDCKZGSRWTN-NSHDSACASA-N -1 3 366.451 -0.824 20 0 FBADHM C[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000736026446 598633073 /nfs/dbraw/zinc/63/30/73/598633073.db2.gz NWJCJVRXPNYUCD-JTQLQIEISA-N -1 3 367.435 -0.353 20 0 FBADHM C[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)N1CCOCC1 ZINC000736026446 598633071 /nfs/dbraw/zinc/63/30/71/598633071.db2.gz NWJCJVRXPNYUCD-JTQLQIEISA-N -1 3 367.435 -0.353 20 0 FBADHM C[C@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000736026447 598633295 /nfs/dbraw/zinc/63/32/95/598633295.db2.gz NWJCJVRXPNYUCD-SNVBAGLBSA-N -1 3 367.435 -0.353 20 0 FBADHM C[C@H](CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)N1CCOCC1 ZINC000736026447 598633294 /nfs/dbraw/zinc/63/32/94/598633294.db2.gz NWJCJVRXPNYUCD-SNVBAGLBSA-N -1 3 367.435 -0.353 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736036794 598757407 /nfs/dbraw/zinc/75/74/07/598757407.db2.gz AMHJHTJTQMOZHO-LLVKDONJSA-N -1 3 366.447 -0.152 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736036794 598757406 /nfs/dbraw/zinc/75/74/06/598757406.db2.gz AMHJHTJTQMOZHO-LLVKDONJSA-N -1 3 366.447 -0.152 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736036796 598757056 /nfs/dbraw/zinc/75/70/56/598757056.db2.gz AMHJHTJTQMOZHO-NSHDSACASA-N -1 3 366.447 -0.152 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736036796 598757053 /nfs/dbraw/zinc/75/70/53/598757053.db2.gz AMHJHTJTQMOZHO-NSHDSACASA-N -1 3 366.447 -0.152 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736036904 598757388 /nfs/dbraw/zinc/75/73/88/598757388.db2.gz BTVSZAQOTHVSNW-AAEUAGOBSA-N -1 3 369.447 -0.029 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736036905 598757375 /nfs/dbraw/zinc/75/73/75/598757375.db2.gz BTVSZAQOTHVSNW-DGCLKSJQSA-N -1 3 369.447 -0.029 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736036907 598757427 /nfs/dbraw/zinc/75/74/27/598757427.db2.gz BTVSZAQOTHVSNW-WCQYABFASA-N -1 3 369.447 -0.029 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736036908 598757356 /nfs/dbraw/zinc/75/73/56/598757356.db2.gz BTVSZAQOTHVSNW-YPMHNXCESA-N -1 3 369.447 -0.029 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736037051 598761328 /nfs/dbraw/zinc/76/13/28/598761328.db2.gz CQBCAAHQJXMDKV-SECBINFHSA-N -1 3 366.403 -0.303 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736037051 598761327 /nfs/dbraw/zinc/76/13/27/598761327.db2.gz CQBCAAHQJXMDKV-SECBINFHSA-N -1 3 366.403 -0.303 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736037053 598761007 /nfs/dbraw/zinc/76/10/07/598761007.db2.gz CQBCAAHQJXMDKV-VIFPVBQESA-N -1 3 366.403 -0.303 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736037053 598761005 /nfs/dbraw/zinc/76/10/05/598761005.db2.gz CQBCAAHQJXMDKV-VIFPVBQESA-N -1 3 366.403 -0.303 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736037073 598761212 /nfs/dbraw/zinc/76/12/12/598761212.db2.gz CYYTXTTYMYMKEG-SECBINFHSA-N -1 3 366.403 -0.303 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736037073 598761211 /nfs/dbraw/zinc/76/12/11/598761211.db2.gz CYYTXTTYMYMKEG-SECBINFHSA-N -1 3 366.403 -0.303 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736037074 598761191 /nfs/dbraw/zinc/76/11/91/598761191.db2.gz CYYTXTTYMYMKEG-VIFPVBQESA-N -1 3 366.403 -0.303 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736037074 598761190 /nfs/dbraw/zinc/76/11/90/598761190.db2.gz CYYTXTTYMYMKEG-VIFPVBQESA-N -1 3 366.403 -0.303 20 0 FBADHM C[C@@H](CO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736038234 606964369 /nfs/dbraw/zinc/96/43/69/606964369.db2.gz SPDGXBMUOUEATF-LURJTMIESA-N -1 3 356.289 -0.096 20 0 FBADHM C[C@@H](CO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736038234 606964366 /nfs/dbraw/zinc/96/43/66/606964366.db2.gz SPDGXBMUOUEATF-LURJTMIESA-N -1 3 356.289 -0.096 20 0 FBADHM C[C@H](CO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736038236 598563304 /nfs/dbraw/zinc/56/33/04/598563304.db2.gz SPDGXBMUOUEATF-ZCFIWIBFSA-N -1 3 356.289 -0.096 20 0 FBADHM C[C@H](CO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736038236 598563303 /nfs/dbraw/zinc/56/33/03/598563303.db2.gz SPDGXBMUOUEATF-ZCFIWIBFSA-N -1 3 356.289 -0.096 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736039296 598757394 /nfs/dbraw/zinc/75/73/94/598757394.db2.gz IGGHBJQCTANXFU-LLVKDONJSA-N -1 3 366.447 -0.152 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736039296 598757392 /nfs/dbraw/zinc/75/73/92/598757392.db2.gz IGGHBJQCTANXFU-LLVKDONJSA-N -1 3 366.447 -0.152 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736039298 598757091 /nfs/dbraw/zinc/75/70/91/598757091.db2.gz IGGHBJQCTANXFU-NSHDSACASA-N -1 3 366.447 -0.152 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736039298 598757089 /nfs/dbraw/zinc/75/70/89/598757089.db2.gz IGGHBJQCTANXFU-NSHDSACASA-N -1 3 366.447 -0.152 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736039665 598757169 /nfs/dbraw/zinc/75/71/69/598757169.db2.gz JOAYMTXOAHATPC-SECBINFHSA-N -1 3 359.433 -0.080 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736039665 598757168 /nfs/dbraw/zinc/75/71/68/598757168.db2.gz JOAYMTXOAHATPC-SECBINFHSA-N -1 3 359.433 -0.080 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736039667 598757419 /nfs/dbraw/zinc/75/74/19/598757419.db2.gz JOAYMTXOAHATPC-VIFPVBQESA-N -1 3 359.433 -0.080 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736039667 598757417 /nfs/dbraw/zinc/75/74/17/598757417.db2.gz JOAYMTXOAHATPC-VIFPVBQESA-N -1 3 359.433 -0.080 20 0 FBADHM C[C@H](CS(C)(=O)=O)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736040137 598841237 /nfs/dbraw/zinc/84/12/37/598841237.db2.gz NDQVFAGAMJGAJC-SECBINFHSA-N -1 3 366.403 -0.854 20 0 FBADHM C[C@H](CS(C)(=O)=O)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736040137 598841236 /nfs/dbraw/zinc/84/12/36/598841236.db2.gz NDQVFAGAMJGAJC-SECBINFHSA-N -1 3 366.403 -0.854 20 0 FBADHM C[C@@H](CS(C)(=O)=O)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736040138 598840975 /nfs/dbraw/zinc/84/09/75/598840975.db2.gz NDQVFAGAMJGAJC-VIFPVBQESA-N -1 3 366.403 -0.854 20 0 FBADHM C[C@@H](CS(C)(=O)=O)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736040138 598840972 /nfs/dbraw/zinc/84/09/72/598840972.db2.gz NDQVFAGAMJGAJC-VIFPVBQESA-N -1 3 366.403 -0.854 20 0 FBADHM C[C@H](CS(C)(=O)=O)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736040715 598852040 /nfs/dbraw/zinc/85/20/40/598852040.db2.gz QYVSQHKPUPEFBV-SECBINFHSA-N -1 3 368.423 -0.594 20 0 FBADHM C[C@H](CS(C)(=O)=O)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736040715 598852039 /nfs/dbraw/zinc/85/20/39/598852039.db2.gz QYVSQHKPUPEFBV-SECBINFHSA-N -1 3 368.423 -0.594 20 0 FBADHM C[C@@H](CS(C)(=O)=O)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736040718 598851960 /nfs/dbraw/zinc/85/19/60/598851960.db2.gz QYVSQHKPUPEFBV-VIFPVBQESA-N -1 3 368.423 -0.594 20 0 FBADHM C[C@@H](CS(C)(=O)=O)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736040718 598851959 /nfs/dbraw/zinc/85/19/59/598851959.db2.gz QYVSQHKPUPEFBV-VIFPVBQESA-N -1 3 368.423 -0.594 20 0 FBADHM C[C@H](CS(C)(=O)=O)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736041487 598852088 /nfs/dbraw/zinc/85/20/88/598852088.db2.gz WMLUKLKXTVXEHS-SECBINFHSA-N -1 3 368.423 -0.594 20 0 FBADHM C[C@H](CS(C)(=O)=O)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736041487 598852087 /nfs/dbraw/zinc/85/20/87/598852087.db2.gz WMLUKLKXTVXEHS-SECBINFHSA-N -1 3 368.423 -0.594 20 0 FBADHM C[C@@H](CS(C)(=O)=O)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736041488 598851926 /nfs/dbraw/zinc/85/19/26/598851926.db2.gz WMLUKLKXTVXEHS-VIFPVBQESA-N -1 3 368.423 -0.594 20 0 FBADHM C[C@@H](CS(C)(=O)=O)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736041488 598851925 /nfs/dbraw/zinc/85/19/25/598851925.db2.gz WMLUKLKXTVXEHS-VIFPVBQESA-N -1 3 368.423 -0.594 20 0 FBADHM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736041547 598855131 /nfs/dbraw/zinc/85/51/31/598855131.db2.gz XQBWWEXFOHZEIN-SSDOTTSWSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736041547 598855130 /nfs/dbraw/zinc/85/51/30/598855130.db2.gz XQBWWEXFOHZEIN-SSDOTTSWSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736041549 598855183 /nfs/dbraw/zinc/85/51/83/598855183.db2.gz XQBWWEXFOHZEIN-ZETCQYMHSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736041549 598855182 /nfs/dbraw/zinc/85/51/82/598855182.db2.gz XQBWWEXFOHZEIN-ZETCQYMHSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736041814 598757023 /nfs/dbraw/zinc/75/70/23/598757023.db2.gz ZPJKQLKEMUHUPP-SECBINFHSA-N -1 3 359.433 -0.080 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736041814 598757021 /nfs/dbraw/zinc/75/70/21/598757021.db2.gz ZPJKQLKEMUHUPP-SECBINFHSA-N -1 3 359.433 -0.080 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736041816 598756938 /nfs/dbraw/zinc/75/69/38/598756938.db2.gz ZPJKQLKEMUHUPP-VIFPVBQESA-N -1 3 359.433 -0.080 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736041816 598756937 /nfs/dbraw/zinc/75/69/37/598756937.db2.gz ZPJKQLKEMUHUPP-VIFPVBQESA-N -1 3 359.433 -0.080 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736041831 598757207 /nfs/dbraw/zinc/75/72/07/598757207.db2.gz ZYVABRYHDOBDIB-SECBINFHSA-N -1 3 359.433 -0.080 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736041831 598757205 /nfs/dbraw/zinc/75/72/05/598757205.db2.gz ZYVABRYHDOBDIB-SECBINFHSA-N -1 3 359.433 -0.080 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736041832 598757164 /nfs/dbraw/zinc/75/71/64/598757164.db2.gz ZYVABRYHDOBDIB-VIFPVBQESA-N -1 3 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598635822 /nfs/dbraw/zinc/63/58/22/598635822.db2.gz BNDWIVUEKXARHN-MRVPVSSYSA-N -1 3 373.329 -0.711 20 0 FBADHM C[C@H](OC(=O)CN1CC(=O)NC1=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736147153 598635880 /nfs/dbraw/zinc/63/58/80/598635880.db2.gz BNDWIVUEKXARHN-QMMMGPOBSA-N -1 3 373.329 -0.711 20 0 FBADHM C[C@@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736147932 598370909 /nfs/dbraw/zinc/37/09/09/598370909.db2.gz BDLZGLBNAMHZOQ-MRVPVSSYSA-N -1 3 372.341 -0.210 20 0 FBADHM C[C@@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736147932 598370907 /nfs/dbraw/zinc/37/09/07/598370907.db2.gz BDLZGLBNAMHZOQ-MRVPVSSYSA-N -1 3 372.341 -0.210 20 0 FBADHM C[C@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736147934 598370878 /nfs/dbraw/zinc/37/08/78/598370878.db2.gz BDLZGLBNAMHZOQ-QMMMGPOBSA-N -1 3 372.341 -0.210 20 0 FBADHM C[C@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736147934 598370876 /nfs/dbraw/zinc/37/08/76/598370876.db2.gz BDLZGLBNAMHZOQ-QMMMGPOBSA-N -1 3 372.341 -0.210 20 0 FBADHM C[C@@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736148470 598370727 /nfs/dbraw/zinc/37/07/27/598370727.db2.gz CYBRDTCRCBNDFE-MRVPVSSYSA-N -1 3 372.341 -0.210 20 0 FBADHM C[C@@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736148470 598370725 /nfs/dbraw/zinc/37/07/25/598370725.db2.gz CYBRDTCRCBNDFE-MRVPVSSYSA-N -1 3 372.341 -0.210 20 0 FBADHM C[C@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736148473 598370860 /nfs/dbraw/zinc/37/08/60/598370860.db2.gz CYBRDTCRCBNDFE-QMMMGPOBSA-N -1 3 372.341 -0.210 20 0 FBADHM C[C@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736148473 598370859 /nfs/dbraw/zinc/37/08/59/598370859.db2.gz CYBRDTCRCBNDFE-QMMMGPOBSA-N -1 3 372.341 -0.210 20 0 FBADHM C[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736148614 608617256 /nfs/dbraw/zinc/61/72/56/608617256.db2.gz QPOKBUBBUKKEHF-LURJTMIESA-N -1 3 356.289 -0.096 20 0 FBADHM C[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736148614 608617254 /nfs/dbraw/zinc/61/72/54/608617254.db2.gz QPOKBUBBUKKEHF-LURJTMIESA-N -1 3 356.289 -0.096 20 0 FBADHM C[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736148615 608616788 /nfs/dbraw/zinc/61/67/88/608616788.db2.gz QPOKBUBBUKKEHF-ZCFIWIBFSA-N -1 3 356.289 -0.096 20 0 FBADHM C[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736148615 608616785 /nfs/dbraw/zinc/61/67/85/608616785.db2.gz QPOKBUBBUKKEHF-ZCFIWIBFSA-N -1 3 356.289 -0.096 20 0 FBADHM C[C@@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736149166 598352254 /nfs/dbraw/zinc/35/22/54/598352254.db2.gz SILOCJHUDYABLT-GFCCVEGCSA-N -1 3 373.417 -0.879 20 0 FBADHM C[C@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736149170 598352586 /nfs/dbraw/zinc/35/25/86/598352586.db2.gz SILOCJHUDYABLT-LBPRGKRZSA-N -1 3 373.417 -0.879 20 0 FBADHM C[C@H](O)CN1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736149704 599618892 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20 0 FBADHM C[C@@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCNC1=O ZINC000736155126 598778800 /nfs/dbraw/zinc/77/88/00/598778800.db2.gz IDXBZOZJSHQGRW-SECBINFHSA-N -1 3 360.330 -0.271 20 0 FBADHM C[C@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCNC1=O ZINC000736155127 598778809 /nfs/dbraw/zinc/77/88/09/598778809.db2.gz IDXBZOZJSHQGRW-VIFPVBQESA-N -1 3 360.330 -0.271 20 0 FBADHM C[C@@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CC1 ZINC000736155484 598409329 /nfs/dbraw/zinc/40/93/29/598409329.db2.gz OPKKGXPMTABFHY-SECBINFHSA-N -1 3 358.358 -0.193 20 0 FBADHM C[C@@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CC1 ZINC000736155484 598409327 /nfs/dbraw/zinc/40/93/27/598409327.db2.gz OPKKGXPMTABFHY-SECBINFHSA-N -1 3 358.358 -0.193 20 0 FBADHM C[C@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CC1 ZINC000736155485 598409407 /nfs/dbraw/zinc/40/94/07/598409407.db2.gz OPKKGXPMTABFHY-VIFPVBQESA-N -1 3 358.358 -0.193 20 0 FBADHM C[C@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CC1 ZINC000736155485 598409406 /nfs/dbraw/zinc/40/94/06/598409406.db2.gz OPKKGXPMTABFHY-VIFPVBQESA-N -1 3 358.358 -0.193 20 0 FBADHM C[C@@H](OC(=O)COc1ccccc1-c1nn[n-]n1)C(=O)N1CCNC1=O ZINC000736155507 598773993 /nfs/dbraw/zinc/77/39/93/598773993.db2.gz OWFYYACUVYALKI-SECBINFHSA-N -1 3 360.330 -0.271 20 0 FBADHM C[C@@H](OC(=O)COc1ccccc1-c1nnn[n-]1)C(=O)N1CCNC1=O ZINC000736155507 598773991 /nfs/dbraw/zinc/77/39/91/598773991.db2.gz OWFYYACUVYALKI-SECBINFHSA-N -1 3 360.330 -0.271 20 0 FBADHM C[C@H](OC(=O)COc1ccccc1-c1nn[n-]n1)C(=O)N1CCNC1=O ZINC000736155509 598773736 /nfs/dbraw/zinc/77/37/36/598773736.db2.gz OWFYYACUVYALKI-VIFPVBQESA-N -1 3 360.330 -0.271 20 0 FBADHM C[C@H](OC(=O)COc1ccccc1-c1nnn[n-]1)C(=O)N1CCNC1=O ZINC000736155509 598773734 /nfs/dbraw/zinc/77/37/34/598773734.db2.gz OWFYYACUVYALKI-VIFPVBQESA-N -1 3 360.330 -0.271 20 0 FBADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)N(C)CC(=O)NC1CC1 ZINC000736157341 598478806 /nfs/dbraw/zinc/47/88/06/598478806.db2.gz AGFPQCDOFRVLHZ-SECBINFHSA-N -1 3 373.373 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C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000736160504 598480783 /nfs/dbraw/zinc/48/07/83/598480783.db2.gz QTANCTHHIOBPBW-KOLCDFICSA-N -1 3 373.373 -0.469 20 0 FBADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000736160504 598480782 /nfs/dbraw/zinc/48/07/82/598480782.db2.gz QTANCTHHIOBPBW-KOLCDFICSA-N -1 3 373.373 -0.469 20 0 FBADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000736160505 598480807 /nfs/dbraw/zinc/48/08/07/598480807.db2.gz QTANCTHHIOBPBW-MWLCHTKSSA-N -1 3 373.373 -0.469 20 0 FBADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000736160505 598480804 /nfs/dbraw/zinc/48/08/04/598480804.db2.gz QTANCTHHIOBPBW-MWLCHTKSSA-N -1 3 373.373 -0.469 20 0 FBADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000736160506 598480935 /nfs/dbraw/zinc/48/09/35/598480935.db2.gz QTANCTHHIOBPBW-ONGXEEELSA-N -1 3 373.373 -0.469 20 0 FBADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000736160506 598480934 /nfs/dbraw/zinc/48/09/34/598480934.db2.gz QTANCTHHIOBPBW-ONGXEEELSA-N -1 3 373.373 -0.469 20 0 FBADHM C[C@@H](OC[C@H]1CCCO1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736164019 598294506 /nfs/dbraw/zinc/29/45/06/598294506.db2.gz MKJOOQRDSRKKLI-NXEZZACHSA-N -1 3 351.367 -0.227 20 0 FBADHM C[C@@H](OC[C@H]1CCCO1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736164019 598294505 /nfs/dbraw/zinc/29/45/05/598294505.db2.gz MKJOOQRDSRKKLI-NXEZZACHSA-N -1 3 351.367 -0.227 20 0 FBADHM C[C@H](OC[C@@H]1CCCO1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736164022 598294286 /nfs/dbraw/zinc/29/42/86/598294286.db2.gz MKJOOQRDSRKKLI-UWVGGRQHSA-N -1 3 351.367 -0.227 20 0 FBADHM C[C@H](OC[C@@H]1CCCO1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736164022 598294284 /nfs/dbraw/zinc/29/42/84/598294284.db2.gz MKJOOQRDSRKKLI-UWVGGRQHSA-N -1 3 351.367 -0.227 20 0 FBADHM C[C@H](OC[C@H]1CCCO1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736164024 598294260 /nfs/dbraw/zinc/29/42/60/598294260.db2.gz MKJOOQRDSRKKLI-VHSXEESVSA-N -1 3 351.367 -0.227 20 0 FBADHM C[C@H](OC[C@H]1CCCO1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736164024 598294258 /nfs/dbraw/zinc/29/42/58/598294258.db2.gz MKJOOQRDSRKKLI-VHSXEESVSA-N -1 3 351.367 -0.227 20 0 FBADHM C[C@@H](OC[C@@H]1CCCO1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736164026 598294593 /nfs/dbraw/zinc/29/45/93/598294593.db2.gz MKJOOQRDSRKKLI-ZJUUUORDSA-N -1 3 351.367 -0.227 20 0 FBADHM C[C@@H](OC[C@@H]1CCCO1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736164026 598294592 /nfs/dbraw/zinc/29/45/92/598294592.db2.gz MKJOOQRDSRKKLI-ZJUUUORDSA-N -1 3 351.367 -0.227 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000736165160 598305076 /nfs/dbraw/zinc/30/50/76/598305076.db2.gz SEUSTPCCOLEIMO-GFCCVEGCSA-N -1 3 374.401 -0.049 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000736165163 598305043 /nfs/dbraw/zinc/30/50/43/598305043.db2.gz SEUSTPCCOLEIMO-LBPRGKRZSA-N -1 3 374.401 -0.049 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000736166587 598505375 /nfs/dbraw/zinc/50/53/75/598505375.db2.gz BXBXJWDAHVJIML-JTQLQIEISA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000736166589 598505345 /nfs/dbraw/zinc/50/53/45/598505345.db2.gz BXBXJWDAHVJIML-SNVBAGLBSA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000736166817 599470440 /nfs/dbraw/zinc/47/04/40/599470440.db2.gz CFAZIHTYFBNEOG-ABKXIKBNSA-N -1 3 371.357 -0.556 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000736166818 599470680 /nfs/dbraw/zinc/47/06/80/599470680.db2.gz CFAZIHTYFBNEOG-FVMDXXJSSA-N -1 3 371.357 -0.556 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000736166819 599470295 /nfs/dbraw/zinc/47/02/95/599470295.db2.gz CFAZIHTYFBNEOG-JDNHERCYSA-N -1 3 371.357 -0.556 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000736166820 599470825 /nfs/dbraw/zinc/47/08/25/599470825.db2.gz CFAZIHTYFBNEOG-XXFAHNHDSA-N -1 3 371.357 -0.556 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCN1C(=O)CNC1=O ZINC000736166873 598824946 /nfs/dbraw/zinc/82/49/46/598824946.db2.gz CXSGYGKUMKLQKH-SECBINFHSA-N -1 3 359.346 -0.698 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCN1C(=O)CNC1=O ZINC000736166874 598825144 /nfs/dbraw/zinc/82/51/44/598825144.db2.gz CXSGYGKUMKLQKH-VIFPVBQESA-N -1 3 359.346 -0.698 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000736166891 598754254 /nfs/dbraw/zinc/75/42/54/598754254.db2.gz DCBYNJMBIVRXOI-BXKDBHETSA-N -1 3 366.403 -0.477 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000736166892 598754265 /nfs/dbraw/zinc/75/42/65/598754265.db2.gz DCBYNJMBIVRXOI-CABZTGNLSA-N -1 3 366.403 -0.477 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000736166893 598754458 /nfs/dbraw/zinc/75/44/58/598754458.db2.gz DCBYNJMBIVRXOI-JOYOIKCWSA-N -1 3 366.403 -0.477 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000736166894 598754519 /nfs/dbraw/zinc/75/45/19/598754519.db2.gz DCBYNJMBIVRXOI-SKDRFNHKSA-N -1 3 366.403 -0.477 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CC(=O)N(CC(N)=O)C1 ZINC000736167001 598857915 /nfs/dbraw/zinc/85/79/15/598857915.db2.gz BUNBEUYYBRLBNG-BXKDBHETSA-N -1 3 374.357 -0.737 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CC(=O)N(CC(N)=O)C1 ZINC000736167002 598857983 /nfs/dbraw/zinc/85/79/83/598857983.db2.gz BUNBEUYYBRLBNG-CABZTGNLSA-N -1 3 374.357 -0.737 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CC(=O)N(CC(N)=O)C1 ZINC000736167003 598857931 /nfs/dbraw/zinc/85/79/31/598857931.db2.gz BUNBEUYYBRLBNG-JOYOIKCWSA-N -1 3 374.357 -0.737 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CC(=O)N(CC(N)=O)C1 ZINC000736167004 598858000 /nfs/dbraw/zinc/85/80/00/598858000.db2.gz BUNBEUYYBRLBNG-SKDRFNHKSA-N -1 3 374.357 -0.737 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000736167221 598913444 /nfs/dbraw/zinc/91/34/44/598913444.db2.gz CNLAKKYRPVONNB-SECBINFHSA-N -1 3 371.357 -0.330 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000736167224 598913355 /nfs/dbraw/zinc/91/33/55/598913355.db2.gz CNLAKKYRPVONNB-VIFPVBQESA-N -1 3 371.357 -0.330 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736168440 598752885 /nfs/dbraw/zinc/75/28/85/598752885.db2.gz HQANGJFQXBVYSH-GXSJLCMTSA-N -1 3 351.388 -0.063 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736168443 598752947 /nfs/dbraw/zinc/75/29/47/598752947.db2.gz HQANGJFQXBVYSH-KOLCDFICSA-N -1 3 351.388 -0.063 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736168446 598752712 /nfs/dbraw/zinc/75/27/12/598752712.db2.gz HQANGJFQXBVYSH-MWLCHTKSSA-N -1 3 351.388 -0.063 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736168447 598752993 /nfs/dbraw/zinc/75/29/93/598752993.db2.gz HQANGJFQXBVYSH-ONGXEEELSA-N -1 3 351.388 -0.063 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCN1C(=O)CNC1=O ZINC000736168596 598496241 /nfs/dbraw/zinc/49/62/41/598496241.db2.gz IUWQPJVRWQEWBT-JTQLQIEISA-N -1 3 373.373 -0.308 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCN1C(=O)CNC1=O ZINC000736168617 598495995 /nfs/dbraw/zinc/49/59/95/598495995.db2.gz IUWQPJVRWQEWBT-SNVBAGLBSA-N -1 3 373.373 -0.308 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCN1C(=O)CCC1=O ZINC000736169173 598867912 /nfs/dbraw/zinc/86/79/12/598867912.db2.gz KHVVMDHQOHYSGF-JTQLQIEISA-N -1 3 358.358 -0.101 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCN1C(=O)CCC1=O ZINC000736169174 598868347 /nfs/dbraw/zinc/86/83/47/598868347.db2.gz KHVVMDHQOHYSGF-SNVBAGLBSA-N -1 3 358.358 -0.101 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCS(N)(=O)=O ZINC000736170670 599368415 /nfs/dbraw/zinc/36/84/15/599368415.db2.gz WAQOPWWOSVBIHE-SECBINFHSA-N -1 3 355.376 -0.144 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCS(N)(=O)=O ZINC000736170673 599368316 /nfs/dbraw/zinc/36/83/16/599368316.db2.gz WAQOPWWOSVBIHE-VIFPVBQESA-N -1 3 355.376 -0.144 20 0 FBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCNS(C)(=O)=O ZINC000736171111 598431344 /nfs/dbraw/zinc/43/13/44/598431344.db2.gz ZOVSVXASYBDZSI-SECBINFHSA-N -1 3 355.376 -0.274 20 0 FBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCNS(C)(=O)=O ZINC000736171112 598430933 /nfs/dbraw/zinc/43/09/33/598430933.db2.gz ZOVSVXASYBDZSI-VIFPVBQESA-N -1 3 355.376 -0.274 20 0 FBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000736178604 599470656 /nfs/dbraw/zinc/47/06/56/599470656.db2.gz AZPWGXWETWEFRV-ABKXIKBNSA-N -1 3 371.357 -0.556 20 0 FBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000736178604 599470654 /nfs/dbraw/zinc/47/06/54/599470654.db2.gz AZPWGXWETWEFRV-ABKXIKBNSA-N -1 3 371.357 -0.556 20 0 FBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000736178606 599470858 /nfs/dbraw/zinc/47/08/58/599470858.db2.gz AZPWGXWETWEFRV-FVMDXXJSSA-N -1 3 371.357 -0.556 20 0 FBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000736178606 599470855 /nfs/dbraw/zinc/47/08/55/599470855.db2.gz AZPWGXWETWEFRV-FVMDXXJSSA-N -1 3 371.357 -0.556 20 0 FBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000736178609 599470392 /nfs/dbraw/zinc/47/03/92/599470392.db2.gz AZPWGXWETWEFRV-JDNHERCYSA-N -1 3 371.357 -0.556 20 0 FBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000736178609 599470390 /nfs/dbraw/zinc/47/03/90/599470390.db2.gz AZPWGXWETWEFRV-JDNHERCYSA-N -1 3 371.357 -0.556 20 0 FBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000736178610 599470867 /nfs/dbraw/zinc/47/08/67/599470867.db2.gz AZPWGXWETWEFRV-XXFAHNHDSA-N -1 3 371.357 -0.556 20 0 FBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000736178610 599470864 /nfs/dbraw/zinc/47/08/64/599470864.db2.gz AZPWGXWETWEFRV-XXFAHNHDSA-N -1 3 371.357 -0.556 20 0 FBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCN1C(=O)CNC1=O ZINC000736181849 598824783 /nfs/dbraw/zinc/82/47/83/598824783.db2.gz BNOLORAVHNGCDG-SECBINFHSA-N -1 3 359.346 -0.698 20 0 FBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCN1C(=O)CNC1=O ZINC000736181849 598824782 /nfs/dbraw/zinc/82/47/82/598824782.db2.gz BNOLORAVHNGCDG-SECBINFHSA-N -1 3 359.346 -0.698 20 0 FBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCN1C(=O)CNC1=O ZINC000736181850 598825122 /nfs/dbraw/zinc/82/51/22/598825122.db2.gz BNOLORAVHNGCDG-VIFPVBQESA-N -1 3 359.346 -0.698 20 0 FBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCN1C(=O)CNC1=O ZINC000736181850 598825121 /nfs/dbraw/zinc/82/51/21/598825121.db2.gz BNOLORAVHNGCDG-VIFPVBQESA-N -1 3 359.346 -0.698 20 0 FBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000736182234 598754360 /nfs/dbraw/zinc/75/43/60/598754360.db2.gz MVBDVBQKMZTJOT-NXEZZACHSA-N -1 3 366.403 -0.477 20 0 FBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000736182234 598754359 /nfs/dbraw/zinc/75/43/59/598754359.db2.gz MVBDVBQKMZTJOT-NXEZZACHSA-N -1 3 366.403 -0.477 20 0 FBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000736182237 598754515 /nfs/dbraw/zinc/75/45/15/598754515.db2.gz MVBDVBQKMZTJOT-UWVGGRQHSA-N -1 3 366.403 -0.477 20 0 FBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000736182237 598754514 /nfs/dbraw/zinc/75/45/14/598754514.db2.gz MVBDVBQKMZTJOT-UWVGGRQHSA-N -1 3 366.403 -0.477 20 0 FBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000736182240 598754200 /nfs/dbraw/zinc/75/42/00/598754200.db2.gz MVBDVBQKMZTJOT-VHSXEESVSA-N -1 3 366.403 -0.477 20 0 FBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000736182240 598754199 /nfs/dbraw/zinc/75/41/99/598754199.db2.gz MVBDVBQKMZTJOT-VHSXEESVSA-N -1 3 366.403 -0.477 20 0 FBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000736182242 598754197 /nfs/dbraw/zinc/75/41/97/598754197.db2.gz MVBDVBQKMZTJOT-ZJUUUORDSA-N -1 3 366.403 -0.477 20 0 FBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000736182242 598754196 /nfs/dbraw/zinc/75/41/96/598754196.db2.gz MVBDVBQKMZTJOT-ZJUUUORDSA-N -1 3 366.403 -0.477 20 0 FBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCS(=O)(=O)CC1 ZINC000736182951 598724253 /nfs/dbraw/zinc/72/42/53/598724253.db2.gz ICNOPBZRZVDDNT-JTQLQIEISA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCS(=O)(=O)CC1 ZINC000736182951 598724252 /nfs/dbraw/zinc/72/42/52/598724252.db2.gz ICNOPBZRZVDDNT-JTQLQIEISA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCS(=O)(=O)CC1 ZINC000736182953 598724287 /nfs/dbraw/zinc/72/42/87/598724287.db2.gz 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CC1(COC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)COC1 ZINC000736216757 599148187 /nfs/dbraw/zinc/14/81/87/599148187.db2.gz KYKLXZIHCZTRET-UHFFFAOYSA-N -1 3 367.387 -0.275 20 0 FBADHM C[C@]1(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CCS(=O)(=O)C1 ZINC000736222174 598415435 /nfs/dbraw/zinc/41/54/35/598415435.db2.gz FFJGHPUAGRDCLF-AWEZNQCLSA-N -1 3 350.404 -0.028 20 0 FBADHM C[C@@]1(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CCS(=O)(=O)C1 ZINC000736222176 598415150 /nfs/dbraw/zinc/41/51/50/598415150.db2.gz FFJGHPUAGRDCLF-CQSZACIVSA-N -1 3 350.404 -0.028 20 0 FBADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCNC(=O)C2)C1=O ZINC000736222407 598233173 /nfs/dbraw/zinc/23/31/73/598233173.db2.gz GIPKFTJZPMVFQO-INIZCTEOSA-N -1 3 370.373 -0.977 20 0 FBADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCNC(=O)C2)C1=O ZINC000736222407 598233172 /nfs/dbraw/zinc/23/31/72/598233172.db2.gz GIPKFTJZPMVFQO-INIZCTEOSA-N -1 3 370.373 -0.977 20 0 FBADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCNC(=O)C2)C1=O ZINC000736222410 598232790 /nfs/dbraw/zinc/23/27/90/598232790.db2.gz GIPKFTJZPMVFQO-MRXNPFEDSA-N -1 3 370.373 -0.977 20 0 FBADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCNC(=O)C2)C1=O ZINC000736222410 598232789 /nfs/dbraw/zinc/23/27/89/598232789.db2.gz GIPKFTJZPMVFQO-MRXNPFEDSA-N -1 3 370.373 -0.977 20 0 FBADHM C[C@@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CCn2cncn2)C1=O ZINC000736223420 598717764 /nfs/dbraw/zinc/71/77/64/598717764.db2.gz NBEGTVKUVHVYBI-HNNXBMFYSA-N -1 3 353.346 -0.075 20 0 FBADHM C[C@@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CCn2cncn2)C1=O ZINC000736223420 598717762 /nfs/dbraw/zinc/71/77/62/598717762.db2.gz NBEGTVKUVHVYBI-HNNXBMFYSA-N -1 3 353.346 -0.075 20 0 FBADHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CCn2cncn2)C1=O ZINC000736223422 598717934 /nfs/dbraw/zinc/71/79/34/598717934.db2.gz NBEGTVKUVHVYBI-OAHLLOKOSA-N -1 3 353.346 -0.075 20 0 FBADHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CCn2cncn2)C1=O ZINC000736223422 598717931 /nfs/dbraw/zinc/71/79/31/598717931.db2.gz NBEGTVKUVHVYBI-OAHLLOKOSA-N -1 3 353.346 -0.075 20 0 FBADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCOCC2)C1=O ZINC000736224582 598233142 /nfs/dbraw/zinc/23/31/42/598233142.db2.gz SPYUJPMNLHGDFH-INIZCTEOSA-N -1 3 357.374 -0.077 20 0 FBADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCOCC2)C1=O ZINC000736224582 598233140 /nfs/dbraw/zinc/23/31/40/598233140.db2.gz SPYUJPMNLHGDFH-INIZCTEOSA-N -1 3 357.374 -0.077 20 0 FBADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCOCC2)C1=O ZINC000736224584 598232880 /nfs/dbraw/zinc/23/28/80/598232880.db2.gz SPYUJPMNLHGDFH-MRXNPFEDSA-N -1 3 357.374 -0.077 20 0 FBADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCOCC2)C1=O ZINC000736224584 598232878 /nfs/dbraw/zinc/23/28/78/598232878.db2.gz SPYUJPMNLHGDFH-MRXNPFEDSA-N -1 3 357.374 -0.077 20 0 FBADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CCn2cncn2)C1=O ZINC000736225090 598718832 /nfs/dbraw/zinc/71/88/32/598718832.db2.gz VNBBSEWHMLITAM-HNNXBMFYSA-N -1 3 353.346 -0.075 20 0 FBADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CCn2cncn2)C1=O ZINC000736225090 598718830 /nfs/dbraw/zinc/71/88/30/598718830.db2.gz VNBBSEWHMLITAM-HNNXBMFYSA-N -1 3 353.346 -0.075 20 0 FBADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CCn2cncn2)C1=O ZINC000736225092 598718905 /nfs/dbraw/zinc/71/89/05/598718905.db2.gz VNBBSEWHMLITAM-OAHLLOKOSA-N -1 3 353.346 -0.075 20 0 FBADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CCn2cncn2)C1=O ZINC000736225092 598718903 /nfs/dbraw/zinc/71/89/03/598718903.db2.gz VNBBSEWHMLITAM-OAHLLOKOSA-N -1 3 353.346 -0.075 20 0 FBADHM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736227676 598401872 /nfs/dbraw/zinc/40/18/72/598401872.db2.gz DXCXWDWLKMHGEN-SSDOTTSWSA-N -1 3 363.765 -0.195 20 0 FBADHM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736227676 598401871 /nfs/dbraw/zinc/40/18/71/598401871.db2.gz DXCXWDWLKMHGEN-SSDOTTSWSA-N -1 3 363.765 -0.195 20 0 FBADHM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736227679 598401788 /nfs/dbraw/zinc/40/17/88/598401788.db2.gz DXCXWDWLKMHGEN-ZETCQYMHSA-N -1 3 363.765 -0.195 20 0 FBADHM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736227679 598401787 /nfs/dbraw/zinc/40/17/87/598401787.db2.gz DXCXWDWLKMHGEN-ZETCQYMHSA-N -1 3 363.765 -0.195 20 0 FBADHM C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736227746 598259779 /nfs/dbraw/zinc/25/97/79/598259779.db2.gz FHANJSLLEGHSCE-SECBINFHSA-N -1 3 367.373 -0.405 20 0 FBADHM C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736227746 598259777 /nfs/dbraw/zinc/25/97/77/598259777.db2.gz FHANJSLLEGHSCE-SECBINFHSA-N -1 3 367.373 -0.405 20 0 FBADHM C[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736227748 598259667 /nfs/dbraw/zinc/25/96/67/598259667.db2.gz FHANJSLLEGHSCE-VIFPVBQESA-N -1 3 367.373 -0.405 20 0 FBADHM C[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736227748 598259666 /nfs/dbraw/zinc/25/96/66/598259666.db2.gz FHANJSLLEGHSCE-VIFPVBQESA-N -1 3 367.373 -0.405 20 0 FBADHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736236695 598402522 /nfs/dbraw/zinc/40/25/22/598402522.db2.gz LOKQIYLFBRICME-GWCFXTLKSA-N -1 3 371.401 -0.291 20 0 FBADHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736236695 598402520 /nfs/dbraw/zinc/40/25/20/598402520.db2.gz LOKQIYLFBRICME-GWCFXTLKSA-N -1 3 371.401 -0.291 20 0 FBADHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736236696 598403024 /nfs/dbraw/zinc/40/30/24/598403024.db2.gz LOKQIYLFBRICME-GXFFZTMASA-N -1 3 371.401 -0.291 20 0 FBADHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736236696 598403023 /nfs/dbraw/zinc/40/30/23/598403023.db2.gz LOKQIYLFBRICME-GXFFZTMASA-N -1 3 371.401 -0.291 20 0 FBADHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736236697 598402966 /nfs/dbraw/zinc/40/29/66/598402966.db2.gz LOKQIYLFBRICME-MFKMUULPSA-N -1 3 371.401 -0.291 20 0 FBADHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736236697 598402964 /nfs/dbraw/zinc/40/29/64/598402964.db2.gz LOKQIYLFBRICME-MFKMUULPSA-N -1 3 371.401 -0.291 20 0 FBADHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736236698 598402668 /nfs/dbraw/zinc/40/26/68/598402668.db2.gz LOKQIYLFBRICME-ZWNOBZJWSA-N -1 3 371.401 -0.291 20 0 FBADHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736236698 598402667 /nfs/dbraw/zinc/40/26/67/598402667.db2.gz LOKQIYLFBRICME-ZWNOBZJWSA-N -1 3 371.401 -0.291 20 0 FBADHM C[C@H]1CN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736278493 599571730 /nfs/dbraw/zinc/57/17/30/599571730.db2.gz HAVGYHNMMKLXSY-JTQLQIEISA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@@H]1CN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736278494 599571677 /nfs/dbraw/zinc/57/16/77/599571677.db2.gz HAVGYHNMMKLXSY-SNVBAGLBSA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@H]1CN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736279332 599571728 /nfs/dbraw/zinc/57/17/28/599571728.db2.gz JNXBBDCMVUAGFU-JTQLQIEISA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@H]1CN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736279332 599571727 /nfs/dbraw/zinc/57/17/27/599571727.db2.gz JNXBBDCMVUAGFU-JTQLQIEISA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736279333 599571747 /nfs/dbraw/zinc/57/17/47/599571747.db2.gz JNXBBDCMVUAGFU-SNVBAGLBSA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736279333 599571746 /nfs/dbraw/zinc/57/17/46/599571746.db2.gz JNXBBDCMVUAGFU-SNVBAGLBSA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736279397 598908072 /nfs/dbraw/zinc/90/80/72/598908072.db2.gz KUYXIPRGHCTGPN-SECBINFHSA-N -1 3 364.387 -0.549 20 0 FBADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736279397 598908070 /nfs/dbraw/zinc/90/80/70/598908070.db2.gz KUYXIPRGHCTGPN-SECBINFHSA-N -1 3 364.387 -0.549 20 0 FBADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736279398 598907855 /nfs/dbraw/zinc/90/78/55/598907855.db2.gz KUYXIPRGHCTGPN-VIFPVBQESA-N -1 3 364.387 -0.549 20 0 FBADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736279398 598907853 /nfs/dbraw/zinc/90/78/53/598907853.db2.gz KUYXIPRGHCTGPN-VIFPVBQESA-N -1 3 364.387 -0.549 20 0 FBADHM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736280295 598907771 /nfs/dbraw/zinc/90/77/71/598907771.db2.gz NBVPYEAGKKFHMW-SECBINFHSA-N -1 3 364.387 -0.549 20 0 FBADHM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736280295 598907768 /nfs/dbraw/zinc/90/77/68/598907768.db2.gz NBVPYEAGKKFHMW-SECBINFHSA-N -1 3 364.387 -0.549 20 0 FBADHM C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736280297 598907781 /nfs/dbraw/zinc/90/77/81/598907781.db2.gz NBVPYEAGKKFHMW-VIFPVBQESA-N -1 3 364.387 -0.549 20 0 FBADHM C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736280297 598907780 /nfs/dbraw/zinc/90/77/80/598907780.db2.gz NBVPYEAGKKFHMW-VIFPVBQESA-N -1 3 364.387 -0.549 20 0 FBADHM C[C@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736280732 599571528 /nfs/dbraw/zinc/57/15/28/599571528.db2.gz OLDVGZKDOJKKIY-JTQLQIEISA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736280734 599571655 /nfs/dbraw/zinc/57/16/55/599571655.db2.gz OLDVGZKDOJKKIY-SNVBAGLBSA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@H]1CN(C(=O)COc2ccccc2-c2nn[n-]n2)CCS1(=O)=O ZINC000736280777 599571456 /nfs/dbraw/zinc/57/14/56/599571456.db2.gz OYUWHNDMKOFCDU-JTQLQIEISA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)CCS1(=O)=O ZINC000736280777 599571454 /nfs/dbraw/zinc/57/14/54/599571454.db2.gz OYUWHNDMKOFCDU-JTQLQIEISA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CN(C(=O)COc2ccccc2-c2nn[n-]n2)CCS1(=O)=O ZINC000736280779 599571604 /nfs/dbraw/zinc/57/16/04/599571604.db2.gz OYUWHNDMKOFCDU-SNVBAGLBSA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)CCS1(=O)=O ZINC000736280779 599571602 /nfs/dbraw/zinc/57/16/02/599571602.db2.gz OYUWHNDMKOFCDU-SNVBAGLBSA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736286053 598304747 /nfs/dbraw/zinc/30/47/47/598304747.db2.gz LUSOJKIYRLTXOV-LLVKDONJSA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736286053 598304746 /nfs/dbraw/zinc/30/47/46/598304746.db2.gz LUSOJKIYRLTXOV-LLVKDONJSA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736286056 598304773 /nfs/dbraw/zinc/30/47/73/598304773.db2.gz LUSOJKIYRLTXOV-NSHDSACASA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736286056 598304772 /nfs/dbraw/zinc/30/47/72/598304772.db2.gz LUSOJKIYRLTXOV-NSHDSACASA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000736286197 598304926 /nfs/dbraw/zinc/30/49/26/598304926.db2.gz MNEGYTOEUYRDRI-LLVKDONJSA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000736286197 598304924 /nfs/dbraw/zinc/30/49/24/598304924.db2.gz MNEGYTOEUYRDRI-LLVKDONJSA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@H]1CN(CCNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000736286199 598304909 /nfs/dbraw/zinc/30/49/09/598304909.db2.gz MNEGYTOEUYRDRI-NSHDSACASA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@H]1CN(CCNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000736286199 598304907 /nfs/dbraw/zinc/30/49/07/598304907.db2.gz MNEGYTOEUYRDRI-NSHDSACASA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736286827 599583530 /nfs/dbraw/zinc/58/35/30/599583530.db2.gz NUCVNDACQQVEIH-JTQLQIEISA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736286827 599583528 /nfs/dbraw/zinc/58/35/28/599583528.db2.gz NUCVNDACQQVEIH-JTQLQIEISA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736286831 599583229 /nfs/dbraw/zinc/58/32/29/599583229.db2.gz NUCVNDACQQVEIH-SNVBAGLBSA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736286831 599583226 /nfs/dbraw/zinc/58/32/26/599583226.db2.gz NUCVNDACQQVEIH-SNVBAGLBSA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736287862 599595289 /nfs/dbraw/zinc/59/52/89/599595289.db2.gz GYCYMKNOODIOHC-SECBINFHSA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736287862 599595287 /nfs/dbraw/zinc/59/52/87/599595287.db2.gz GYCYMKNOODIOHC-SECBINFHSA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736287863 599595036 /nfs/dbraw/zinc/59/50/36/599595036.db2.gz GYCYMKNOODIOHC-VIFPVBQESA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736287863 599595034 /nfs/dbraw/zinc/59/50/34/599595034.db2.gz GYCYMKNOODIOHC-VIFPVBQESA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@@H]1CN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736289084 599583422 /nfs/dbraw/zinc/58/34/22/599583422.db2.gz CONBFFOYQVLNME-BXKDBHETSA-N -1 3 350.404 -0.488 20 0 FBADHM C[C@@H]1CN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736289084 599583421 /nfs/dbraw/zinc/58/34/21/599583421.db2.gz CONBFFOYQVLNME-BXKDBHETSA-N -1 3 350.404 -0.488 20 0 FBADHM C[C@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736289087 599583632 /nfs/dbraw/zinc/58/36/32/599583632.db2.gz CONBFFOYQVLNME-CABZTGNLSA-N -1 3 350.404 -0.488 20 0 FBADHM C[C@H]1CN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736289087 599583629 /nfs/dbraw/zinc/58/36/29/599583629.db2.gz CONBFFOYQVLNME-CABZTGNLSA-N -1 3 350.404 -0.488 20 0 FBADHM C[C@H]1CN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736289090 599583597 /nfs/dbraw/zinc/58/35/97/599583597.db2.gz CONBFFOYQVLNME-JOYOIKCWSA-N -1 3 350.404 -0.488 20 0 FBADHM C[C@H]1CN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736289090 599583594 /nfs/dbraw/zinc/58/35/94/599583594.db2.gz CONBFFOYQVLNME-JOYOIKCWSA-N -1 3 350.404 -0.488 20 0 FBADHM C[C@@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736289092 599583779 /nfs/dbraw/zinc/58/37/79/599583779.db2.gz CONBFFOYQVLNME-SKDRFNHKSA-N -1 3 350.404 -0.488 20 0 FBADHM C[C@@H]1CN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736289092 599583776 /nfs/dbraw/zinc/58/37/76/599583776.db2.gz CONBFFOYQVLNME-SKDRFNHKSA-N -1 3 350.404 -0.488 20 0 FBADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736289405 599595268 /nfs/dbraw/zinc/59/52/68/599595268.db2.gz LKMBXUSBSBNTPP-SECBINFHSA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736289405 599595266 /nfs/dbraw/zinc/59/52/66/599595266.db2.gz LKMBXUSBSBNTPP-SECBINFHSA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736289406 599595054 /nfs/dbraw/zinc/59/50/54/599595054.db2.gz LKMBXUSBSBNTPP-VIFPVBQESA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736289406 599595051 /nfs/dbraw/zinc/59/50/51/599595051.db2.gz LKMBXUSBSBNTPP-VIFPVBQESA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@H]1CN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736289677 599583356 /nfs/dbraw/zinc/58/33/56/599583356.db2.gz XJDTVVRCHLPAPF-AAEUAGOBSA-N -1 3 367.431 -0.275 20 0 FBADHM C[C@@H]1CN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736289678 599583519 /nfs/dbraw/zinc/58/35/19/599583519.db2.gz XJDTVVRCHLPAPF-DGCLKSJQSA-N -1 3 367.431 -0.275 20 0 FBADHM C[C@H]1CN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736289679 599583540 /nfs/dbraw/zinc/58/35/40/599583540.db2.gz XJDTVVRCHLPAPF-WCQYABFASA-N -1 3 367.431 -0.275 20 0 FBADHM C[C@@H]1CN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736289680 599583342 /nfs/dbraw/zinc/58/33/42/599583342.db2.gz XJDTVVRCHLPAPF-YPMHNXCESA-N -1 3 367.431 -0.275 20 0 FBADHM C[C@@H]1CN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736290068 599583875 /nfs/dbraw/zinc/58/38/75/599583875.db2.gz ZOVRPGMCZFETDG-LLVKDONJSA-N -1 3 364.431 -0.398 20 0 FBADHM C[C@@H]1CN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736290068 599583871 /nfs/dbraw/zinc/58/38/71/599583871.db2.gz ZOVRPGMCZFETDG-LLVKDONJSA-N -1 3 364.431 -0.398 20 0 FBADHM C[C@H]1CN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736290070 599583755 /nfs/dbraw/zinc/58/37/55/599583755.db2.gz ZOVRPGMCZFETDG-NSHDSACASA-N -1 3 364.431 -0.398 20 0 FBADHM C[C@H]1CN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736290070 599583752 /nfs/dbraw/zinc/58/37/52/599583752.db2.gz ZOVRPGMCZFETDG-NSHDSACASA-N -1 3 364.431 -0.398 20 0 FBADHM C[C@@H]1CN(CCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736290102 598405970 /nfs/dbraw/zinc/40/59/70/598405970.db2.gz ZWTHNKAEAFJCNF-GFCCVEGCSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@@H]1CN(CCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736290102 598405968 /nfs/dbraw/zinc/40/59/68/598405968.db2.gz ZWTHNKAEAFJCNF-GFCCVEGCSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@H]1CN(CCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736290104 598406108 /nfs/dbraw/zinc/40/61/08/598406108.db2.gz ZWTHNKAEAFJCNF-LBPRGKRZSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@H]1CN(CCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736290104 598406106 /nfs/dbraw/zinc/40/61/06/598406106.db2.gz ZWTHNKAEAFJCNF-LBPRGKRZSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736291411 599595521 /nfs/dbraw/zinc/59/55/21/599595521.db2.gz WXUATGODRPYADJ-JTQLQIEISA-N -1 3 371.444 -0.185 20 0 FBADHM C[C@H]1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736291411 599595520 /nfs/dbraw/zinc/59/55/20/599595520.db2.gz WXUATGODRPYADJ-JTQLQIEISA-N -1 3 371.444 -0.185 20 0 FBADHM C[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736291412 599595572 /nfs/dbraw/zinc/59/55/72/599595572.db2.gz WXUATGODRPYADJ-SNVBAGLBSA-N -1 3 371.444 -0.185 20 0 FBADHM C[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736291412 599595571 /nfs/dbraw/zinc/59/55/71/599595571.db2.gz WXUATGODRPYADJ-SNVBAGLBSA-N -1 3 371.444 -0.185 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736291512 598862766 /nfs/dbraw/zinc/86/27/66/598862766.db2.gz BMAKEFIYFCJEIC-JTQLQIEISA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736291512 598862765 /nfs/dbraw/zinc/86/27/65/598862765.db2.gz BMAKEFIYFCJEIC-JTQLQIEISA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736291513 598863237 /nfs/dbraw/zinc/86/32/37/598863237.db2.gz BMAKEFIYFCJEIC-SNVBAGLBSA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736291513 598863236 /nfs/dbraw/zinc/86/32/36/598863236.db2.gz BMAKEFIYFCJEIC-SNVBAGLBSA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736291793 598864804 /nfs/dbraw/zinc/86/48/04/598864804.db2.gz CHVRDXXIAQWAJW-LLVKDONJSA-N -1 3 364.431 -0.398 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736291793 598864802 /nfs/dbraw/zinc/86/48/02/598864802.db2.gz CHVRDXXIAQWAJW-LLVKDONJSA-N -1 3 364.431 -0.398 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736291795 598864683 /nfs/dbraw/zinc/86/46/83/598864683.db2.gz CHVRDXXIAQWAJW-NSHDSACASA-N -1 3 364.431 -0.398 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736291795 598864681 /nfs/dbraw/zinc/86/46/81/598864681.db2.gz CHVRDXXIAQWAJW-NSHDSACASA-N -1 3 364.431 -0.398 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736292102 598846559 /nfs/dbraw/zinc/84/65/59/598846559.db2.gz FUNBBLAWAOWMQN-JTQLQIEISA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736292102 598846558 /nfs/dbraw/zinc/84/65/58/598846558.db2.gz FUNBBLAWAOWMQN-JTQLQIEISA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736292103 598846530 /nfs/dbraw/zinc/84/65/30/598846530.db2.gz FUNBBLAWAOWMQN-SNVBAGLBSA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736292103 598846528 /nfs/dbraw/zinc/84/65/28/598846528.db2.gz FUNBBLAWAOWMQN-SNVBAGLBSA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736292175 598875477 /nfs/dbraw/zinc/87/54/77/598875477.db2.gz HGKBTJTWYUAIJF-SECBINFHSA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736292175 598875475 /nfs/dbraw/zinc/87/54/75/598875475.db2.gz HGKBTJTWYUAIJF-SECBINFHSA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736292179 598875497 /nfs/dbraw/zinc/87/54/97/598875497.db2.gz HGKBTJTWYUAIJF-VIFPVBQESA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736292179 598875495 /nfs/dbraw/zinc/87/54/95/598875495.db2.gz HGKBTJTWYUAIJF-VIFPVBQESA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@@H]1CN2CCCC[C@@H]2CN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736292568 599232476 /nfs/dbraw/zinc/23/24/76/599232476.db2.gz LATHWVLSKNCLOO-GHMZBOCLSA-N -1 3 360.422 -0.673 20 0 FBADHM C[C@@H]1CN2CCCC[C@@H]2CN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736292568 599232475 /nfs/dbraw/zinc/23/24/75/599232475.db2.gz LATHWVLSKNCLOO-GHMZBOCLSA-N -1 3 360.422 -0.673 20 0 FBADHM C[C@@H]1CN2CCCC[C@H]2CN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736292569 599232292 /nfs/dbraw/zinc/23/22/92/599232292.db2.gz LATHWVLSKNCLOO-MNOVXSKESA-N -1 3 360.422 -0.673 20 0 FBADHM C[C@@H]1CN2CCCC[C@H]2CN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736292569 599232289 /nfs/dbraw/zinc/23/22/89/599232289.db2.gz LATHWVLSKNCLOO-MNOVXSKESA-N -1 3 360.422 -0.673 20 0 FBADHM C[C@H]1CN2CCCC[C@H]2CN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736292570 599232014 /nfs/dbraw/zinc/23/20/14/599232014.db2.gz LATHWVLSKNCLOO-QWRGUYRKSA-N -1 3 360.422 -0.673 20 0 FBADHM C[C@H]1CN2CCCC[C@H]2CN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736292570 599232011 /nfs/dbraw/zinc/23/20/11/599232011.db2.gz LATHWVLSKNCLOO-QWRGUYRKSA-N -1 3 360.422 -0.673 20 0 FBADHM C[C@H]1CN2CCCC[C@@H]2CN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736292571 599232167 /nfs/dbraw/zinc/23/21/67/599232167.db2.gz LATHWVLSKNCLOO-WDEREUQCSA-N -1 3 360.422 -0.673 20 0 FBADHM C[C@H]1CN2CCCC[C@@H]2CN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736292571 599232164 /nfs/dbraw/zinc/23/21/64/599232164.db2.gz LATHWVLSKNCLOO-WDEREUQCSA-N -1 3 360.422 -0.673 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736292747 598863365 /nfs/dbraw/zinc/86/33/65/598863365.db2.gz LKASCGKKVDLYGO-MRVPVSSYSA-N -1 3 356.433 -0.014 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736292747 598863363 /nfs/dbraw/zinc/86/33/63/598863363.db2.gz LKASCGKKVDLYGO-MRVPVSSYSA-N -1 3 356.433 -0.014 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736292749 598863517 /nfs/dbraw/zinc/86/35/17/598863517.db2.gz LKASCGKKVDLYGO-QMMMGPOBSA-N -1 3 356.433 -0.014 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736292749 598863516 /nfs/dbraw/zinc/86/35/16/598863516.db2.gz LKASCGKKVDLYGO-QMMMGPOBSA-N -1 3 356.433 -0.014 20 0 FBADHM C[C@@H]1COCCN1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736292775 598812838 /nfs/dbraw/zinc/81/28/38/598812838.db2.gz LXQAJZJHDUBKBV-LLVKDONJSA-N -1 3 352.420 -0.134 20 0 FBADHM C[C@@H]1COCCN1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736292775 598812837 /nfs/dbraw/zinc/81/28/37/598812837.db2.gz LXQAJZJHDUBKBV-LLVKDONJSA-N -1 3 352.420 -0.134 20 0 FBADHM C[C@H]1COCCN1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736292777 598812764 /nfs/dbraw/zinc/81/27/64/598812764.db2.gz LXQAJZJHDUBKBV-NSHDSACASA-N -1 3 352.420 -0.134 20 0 FBADHM C[C@H]1COCCN1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736292777 598812763 /nfs/dbraw/zinc/81/27/63/598812763.db2.gz LXQAJZJHDUBKBV-NSHDSACASA-N -1 3 352.420 -0.134 20 0 FBADHM C[C@@H]1COCCN1CCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736293087 598812481 /nfs/dbraw/zinc/81/24/81/598812481.db2.gz NVVLPRBVOOYKJY-LLVKDONJSA-N -1 3 352.420 -0.134 20 0 FBADHM C[C@@H]1COCCN1CCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736293087 598812480 /nfs/dbraw/zinc/81/24/80/598812480.db2.gz NVVLPRBVOOYKJY-LLVKDONJSA-N -1 3 352.420 -0.134 20 0 FBADHM C[C@H]1COCCN1CCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736293089 598812514 /nfs/dbraw/zinc/81/25/14/598812514.db2.gz NVVLPRBVOOYKJY-NSHDSACASA-N -1 3 352.420 -0.134 20 0 FBADHM C[C@H]1COCCN1CCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736293089 598812512 /nfs/dbraw/zinc/81/25/12/598812512.db2.gz NVVLPRBVOOYKJY-NSHDSACASA-N -1 3 352.420 -0.134 20 0 FBADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736293117 598291621 /nfs/dbraw/zinc/29/16/21/598291621.db2.gz OCCIMNKGBPUMDU-LLVKDONJSA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736293117 598291619 /nfs/dbraw/zinc/29/16/19/598291619.db2.gz OCCIMNKGBPUMDU-LLVKDONJSA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736293119 598291486 /nfs/dbraw/zinc/29/14/86/598291486.db2.gz OCCIMNKGBPUMDU-NSHDSACASA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736293119 598291484 /nfs/dbraw/zinc/29/14/84/598291484.db2.gz OCCIMNKGBPUMDU-NSHDSACASA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@@H]1COCCN1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736293162 598260667 /nfs/dbraw/zinc/26/06/67/598260667.db2.gz OJEXKIMNBAYSQQ-GFCCVEGCSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@@H]1COCCN1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736293162 598260665 /nfs/dbraw/zinc/26/06/65/598260665.db2.gz OJEXKIMNBAYSQQ-GFCCVEGCSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@H]1COCCN1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736293164 598260624 /nfs/dbraw/zinc/26/06/24/598260624.db2.gz OJEXKIMNBAYSQQ-LBPRGKRZSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@H]1COCCN1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736293164 598260622 /nfs/dbraw/zinc/26/06/22/598260622.db2.gz OJEXKIMNBAYSQQ-LBPRGKRZSA-N -1 3 373.417 -0.567 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736293535 598846597 /nfs/dbraw/zinc/84/65/97/598846597.db2.gz PRERONJJAKMLQS-JTQLQIEISA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736293538 598846549 /nfs/dbraw/zinc/84/65/49/598846549.db2.gz PRERONJJAKMLQS-SNVBAGLBSA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736293606 598864643 /nfs/dbraw/zinc/86/46/43/598864643.db2.gz QPDBZVRYEGMULR-JTQLQIEISA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736293606 598864642 /nfs/dbraw/zinc/86/46/42/598864642.db2.gz QPDBZVRYEGMULR-JTQLQIEISA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736293607 598864672 /nfs/dbraw/zinc/86/46/72/598864672.db2.gz QPDBZVRYEGMULR-SNVBAGLBSA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736293607 598864671 /nfs/dbraw/zinc/86/46/71/598864671.db2.gz QPDBZVRYEGMULR-SNVBAGLBSA-N -1 3 350.404 -0.076 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736293653 598846428 /nfs/dbraw/zinc/84/64/28/598846428.db2.gz RDDFXMYNRIEXCP-JTQLQIEISA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736293655 598846508 /nfs/dbraw/zinc/84/65/08/598846508.db2.gz RDDFXMYNRIEXCP-SNVBAGLBSA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736293760 598291498 /nfs/dbraw/zinc/29/14/98/598291498.db2.gz RHYMHXIAJCKSSB-LLVKDONJSA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736293760 598291496 /nfs/dbraw/zinc/29/14/96/598291496.db2.gz RHYMHXIAJCKSSB-LLVKDONJSA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736293761 598291518 /nfs/dbraw/zinc/29/15/18/598291518.db2.gz RHYMHXIAJCKSSB-NSHDSACASA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736293761 598291515 /nfs/dbraw/zinc/29/15/15/598291515.db2.gz RHYMHXIAJCKSSB-NSHDSACASA-N -1 3 359.390 -0.358 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736294949 598875677 /nfs/dbraw/zinc/87/56/77/598875677.db2.gz WNAWYOMULTYUBW-JTQLQIEISA-N -1 3 371.444 -0.185 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736294949 598875675 /nfs/dbraw/zinc/87/56/75/598875675.db2.gz WNAWYOMULTYUBW-JTQLQIEISA-N -1 3 371.444 -0.185 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736294951 598875380 /nfs/dbraw/zinc/87/53/80/598875380.db2.gz WNAWYOMULTYUBW-SNVBAGLBSA-N -1 3 371.444 -0.185 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736294951 598875379 /nfs/dbraw/zinc/87/53/79/598875379.db2.gz WNAWYOMULTYUBW-SNVBAGLBSA-N -1 3 371.444 -0.185 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736294994 598863429 /nfs/dbraw/zinc/86/34/29/598863429.db2.gz XAHSNBRANSPWJW-LLVKDONJSA-N -1 3 364.431 -0.398 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736294994 598863428 /nfs/dbraw/zinc/86/34/28/598863428.db2.gz XAHSNBRANSPWJW-LLVKDONJSA-N -1 3 364.431 -0.398 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736294996 598863716 /nfs/dbraw/zinc/86/37/16/598863716.db2.gz XAHSNBRANSPWJW-NSHDSACASA-N -1 3 364.431 -0.398 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736294996 598863714 /nfs/dbraw/zinc/86/37/14/598863714.db2.gz XAHSNBRANSPWJW-NSHDSACASA-N -1 3 364.431 -0.398 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736295081 598846540 /nfs/dbraw/zinc/84/65/40/598846540.db2.gz YHTKMFLAIMBTGQ-JTQLQIEISA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736295081 598846539 /nfs/dbraw/zinc/84/65/39/598846539.db2.gz YHTKMFLAIMBTGQ-JTQLQIEISA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736295082 598846178 /nfs/dbraw/zinc/84/61/78/598846178.db2.gz YHTKMFLAIMBTGQ-SNVBAGLBSA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736295082 598846176 /nfs/dbraw/zinc/84/61/76/598846176.db2.gz YHTKMFLAIMBTGQ-SNVBAGLBSA-N -1 3 351.388 -0.109 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736295485 598875840 /nfs/dbraw/zinc/87/58/40/598875840.db2.gz ZESNOBYQXGFGTO-SECBINFHSA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736295485 598875838 /nfs/dbraw/zinc/87/58/38/598875838.db2.gz ZESNOBYQXGFGTO-SECBINFHSA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736295488 598875707 /nfs/dbraw/zinc/87/57/07/598875707.db2.gz ZESNOBYQXGFGTO-VIFPVBQESA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736295488 598875706 /nfs/dbraw/zinc/87/57/06/598875706.db2.gz ZESNOBYQXGFGTO-VIFPVBQESA-N -1 3 357.417 -0.326 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736295520 598863385 /nfs/dbraw/zinc/86/33/85/598863385.db2.gz ZPYJBOPARLIFIY-AAEUAGOBSA-N -1 3 367.431 -0.275 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736295522 598863679 /nfs/dbraw/zinc/86/36/79/598863679.db2.gz ZPYJBOPARLIFIY-DGCLKSJQSA-N -1 3 367.431 -0.275 20 0 FBADHM C[C@H]1CS(=O)(=O)CCN1C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736295524 598863559 /nfs/dbraw/zinc/86/35/59/598863559.db2.gz ZPYJBOPARLIFIY-WCQYABFASA-N -1 3 367.431 -0.275 20 0 FBADHM C[C@@H]1CS(=O)(=O)CCN1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736295526 598863471 /nfs/dbraw/zinc/86/34/71/598863471.db2.gz ZPYJBOPARLIFIY-YPMHNXCESA-N -1 3 367.431 -0.275 20 0 FBADHM CCC(=O)COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736301794 598424288 /nfs/dbraw/zinc/42/42/88/598424288.db2.gz BOOBJCSDGNAMED-UHFFFAOYSA-N -1 3 353.360 -0.333 20 0 FBADHM CCC(=O)COC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736301794 598424287 /nfs/dbraw/zinc/42/42/87/598424287.db2.gz BOOBJCSDGNAMED-UHFFFAOYSA-N -1 3 353.360 -0.333 20 0 FBADHM CCC(=O)N1CCC[C@H](C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1 ZINC000736302528 598294280 /nfs/dbraw/zinc/29/42/80/598294280.db2.gz INNDVISHERSJCK-JTQLQIEISA-N -1 3 362.394 -0.163 20 0 FBADHM CCC(=O)N1CCC[C@H](C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1 ZINC000736302528 598294279 /nfs/dbraw/zinc/29/42/79/598294279.db2.gz INNDVISHERSJCK-JTQLQIEISA-N -1 3 362.394 -0.163 20 0 FBADHM CCC(=O)N1CCC[C@@H](C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1 ZINC000736302530 598294375 /nfs/dbraw/zinc/29/43/75/598294375.db2.gz INNDVISHERSJCK-SNVBAGLBSA-N -1 3 362.394 -0.163 20 0 FBADHM CCC(=O)N1CCC[C@@H](C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1 ZINC000736302530 598294373 /nfs/dbraw/zinc/29/43/73/598294373.db2.gz INNDVISHERSJCK-SNVBAGLBSA-N -1 3 362.394 -0.163 20 0 FBADHM CCC(=O)N1CCCC[C@@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736303670 598856940 /nfs/dbraw/zinc/85/69/40/598856940.db2.gz MMLLSFSOSCDXDU-LLVKDONJSA-N -1 3 362.394 -0.020 20 0 FBADHM CCC(=O)N1CCCC[C@@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736303670 598856938 /nfs/dbraw/zinc/85/69/38/598856938.db2.gz MMLLSFSOSCDXDU-LLVKDONJSA-N -1 3 362.394 -0.020 20 0 FBADHM CCC(=O)N1CCCC[C@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736303672 598856984 /nfs/dbraw/zinc/85/69/84/598856984.db2.gz MMLLSFSOSCDXDU-NSHDSACASA-N -1 3 362.394 -0.020 20 0 FBADHM CCC(=O)N1CCCC[C@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736303672 598856982 /nfs/dbraw/zinc/85/69/82/598856982.db2.gz MMLLSFSOSCDXDU-NSHDSACASA-N -1 3 362.394 -0.020 20 0 FBADHM CCC(=O)COC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736305359 598424581 /nfs/dbraw/zinc/42/45/81/598424581.db2.gz URFUUTTXBFAPRK-UHFFFAOYSA-N -1 3 353.360 -0.333 20 0 FBADHM CCC(=O)COC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736305359 598424579 /nfs/dbraw/zinc/42/45/79/598424579.db2.gz URFUUTTXBFAPRK-UHFFFAOYSA-N -1 3 353.360 -0.333 20 0 FBADHM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736323333 598457934 /nfs/dbraw/zinc/45/79/34/598457934.db2.gz DNLCHKNROMYETP-GFCCVEGCSA-N -1 3 372.433 -0.066 20 0 FBADHM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736323333 598457933 /nfs/dbraw/zinc/45/79/33/598457933.db2.gz DNLCHKNROMYETP-GFCCVEGCSA-N -1 3 372.433 -0.066 20 0 FBADHM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736323336 598457501 /nfs/dbraw/zinc/45/75/01/598457501.db2.gz DNLCHKNROMYETP-LBPRGKRZSA-N -1 3 372.433 -0.066 20 0 FBADHM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736323336 598457499 /nfs/dbraw/zinc/45/74/99/598457499.db2.gz DNLCHKNROMYETP-LBPRGKRZSA-N -1 3 372.433 -0.066 20 0 FBADHM CC[C@@H](C)NC(=O)CN1CCN(c2c(-c3nn[n-]n3)c(C)nn2C)CC1 ZINC000736327253 598633083 /nfs/dbraw/zinc/63/30/83/598633083.db2.gz PVKZTROMLIZHDF-LLVKDONJSA-N -1 3 361.454 -0.055 20 0 FBADHM CC[C@@H](C)NC(=O)CN1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC000736327253 598633081 /nfs/dbraw/zinc/63/30/81/598633081.db2.gz PVKZTROMLIZHDF-LLVKDONJSA-N -1 3 361.454 -0.055 20 0 FBADHM CC[C@H](C)NC(=O)CN1CCN(c2c(-c3nn[n-]n3)c(C)nn2C)CC1 ZINC000736327260 598632778 /nfs/dbraw/zinc/63/27/78/598632778.db2.gz PVKZTROMLIZHDF-NSHDSACASA-N -1 3 361.454 -0.055 20 0 FBADHM CC[C@H](C)NC(=O)CN1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC000736327260 598632777 /nfs/dbraw/zinc/63/27/77/598632777.db2.gz PVKZTROMLIZHDF-NSHDSACASA-N -1 3 361.454 -0.055 20 0 FBADHM CC[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000736382110 598407930 /nfs/dbraw/zinc/40/79/30/598407930.db2.gz KKYGSRAOPNNRGJ-LLVKDONJSA-N -1 3 367.387 -0.411 20 0 FBADHM CC[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000736382110 598407927 /nfs/dbraw/zinc/40/79/27/598407927.db2.gz KKYGSRAOPNNRGJ-LLVKDONJSA-N -1 3 367.387 -0.411 20 0 FBADHM CC[C@H](OC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000736382111 598407679 /nfs/dbraw/zinc/40/76/79/598407679.db2.gz KKYGSRAOPNNRGJ-NSHDSACASA-N -1 3 367.387 -0.411 20 0 FBADHM CC[C@H](OC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000736382111 598407678 /nfs/dbraw/zinc/40/76/78/598407678.db2.gz KKYGSRAOPNNRGJ-NSHDSACASA-N -1 3 367.387 -0.411 20 0 FBADHM CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000736383708 598375102 /nfs/dbraw/zinc/37/51/02/598375102.db2.gz UCTXITGKWAUPTE-GFCCVEGCSA-N -1 3 366.447 -0.056 20 0 FBADHM CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000736383708 598375100 /nfs/dbraw/zinc/37/51/00/598375100.db2.gz UCTXITGKWAUPTE-GFCCVEGCSA-N -1 3 366.447 -0.056 20 0 FBADHM CC[C@H](O)CN1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000736383709 598375278 /nfs/dbraw/zinc/37/52/78/598375278.db2.gz UCTXITGKWAUPTE-LBPRGKRZSA-N -1 3 366.447 -0.056 20 0 FBADHM CC[C@H](O)CN1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000736383709 598375276 /nfs/dbraw/zinc/37/52/76/598375276.db2.gz UCTXITGKWAUPTE-LBPRGKRZSA-N -1 3 366.447 -0.056 20 0 FBADHM CC[C@@H]1C(=O)NCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736394204 598510291 /nfs/dbraw/zinc/51/02/91/598510291.db2.gz ACZXBXDTJGCLRO-GFCCVEGCSA-N -1 3 350.404 -0.093 20 0 FBADHM CC[C@@H]1C(=O)NCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736394204 598510289 /nfs/dbraw/zinc/51/02/89/598510289.db2.gz ACZXBXDTJGCLRO-GFCCVEGCSA-N -1 3 350.404 -0.093 20 0 FBADHM CC[C@H]1C(=O)NCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736394205 598510073 /nfs/dbraw/zinc/51/00/73/598510073.db2.gz ACZXBXDTJGCLRO-LBPRGKRZSA-N -1 3 350.404 -0.093 20 0 FBADHM CC[C@H]1C(=O)NCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736394205 598510071 /nfs/dbraw/zinc/51/00/71/598510071.db2.gz ACZXBXDTJGCLRO-LBPRGKRZSA-N -1 3 350.404 -0.093 20 0 FBADHM CC[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736394269 598410100 /nfs/dbraw/zinc/41/01/00/598410100.db2.gz AWCVLQNJGDFTAU-GFCCVEGCSA-N -1 3 357.374 -0.667 20 0 FBADHM CC[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736394269 598410098 /nfs/dbraw/zinc/41/00/98/598410098.db2.gz AWCVLQNJGDFTAU-GFCCVEGCSA-N -1 3 357.374 -0.667 20 0 FBADHM CC[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736394271 598410083 /nfs/dbraw/zinc/41/00/83/598410083.db2.gz AWCVLQNJGDFTAU-LBPRGKRZSA-N -1 3 357.374 -0.667 20 0 FBADHM CC[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736394271 598410080 /nfs/dbraw/zinc/41/00/80/598410080.db2.gz AWCVLQNJGDFTAU-LBPRGKRZSA-N -1 3 357.374 -0.667 20 0 FBADHM CC[C@@H]1C(=O)NCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000736394677 598398307 /nfs/dbraw/zinc/39/83/07/598398307.db2.gz DGNCPHPLCKWNHK-LLVKDONJSA-N -1 3 360.374 -0.009 20 0 FBADHM CC[C@@H]1C(=O)NCCN1C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000736394677 598398305 /nfs/dbraw/zinc/39/83/05/598398305.db2.gz DGNCPHPLCKWNHK-LLVKDONJSA-N -1 3 360.374 -0.009 20 0 FBADHM CC[C@H]1C(=O)NCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000736394678 598398321 /nfs/dbraw/zinc/39/83/21/598398321.db2.gz DGNCPHPLCKWNHK-NSHDSACASA-N -1 3 360.374 -0.009 20 0 FBADHM CC[C@H]1C(=O)NCCN1C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000736394678 598398320 /nfs/dbraw/zinc/39/83/20/598398320.db2.gz DGNCPHPLCKWNHK-NSHDSACASA-N -1 3 360.374 -0.009 20 0 FBADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736395122 598413031 /nfs/dbraw/zinc/41/30/31/598413031.db2.gz HRKCCLZHHZJCMI-LLVKDONJSA-N -1 3 361.337 -0.319 20 0 FBADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736395122 598413029 /nfs/dbraw/zinc/41/30/29/598413029.db2.gz HRKCCLZHHZJCMI-LLVKDONJSA-N -1 3 361.337 -0.319 20 0 FBADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736395124 598412927 /nfs/dbraw/zinc/41/29/27/598412927.db2.gz HRKCCLZHHZJCMI-NSHDSACASA-N -1 3 361.337 -0.319 20 0 FBADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736395124 598412925 /nfs/dbraw/zinc/41/29/25/598412925.db2.gz HRKCCLZHHZJCMI-NSHDSACASA-N -1 3 361.337 -0.319 20 0 FBADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736395155 598412957 /nfs/dbraw/zinc/41/29/57/598412957.db2.gz IBGQYRLRTBXTJK-LLVKDONJSA-N -1 3 373.373 -0.449 20 0 FBADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736395155 598412955 /nfs/dbraw/zinc/41/29/55/598412955.db2.gz IBGQYRLRTBXTJK-LLVKDONJSA-N -1 3 373.373 -0.449 20 0 FBADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736395157 598413217 /nfs/dbraw/zinc/41/32/17/598413217.db2.gz IBGQYRLRTBXTJK-NSHDSACASA-N -1 3 373.373 -0.449 20 0 FBADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736395157 598413216 /nfs/dbraw/zinc/41/32/16/598413216.db2.gz IBGQYRLRTBXTJK-NSHDSACASA-N -1 3 373.373 -0.449 20 0 FBADHM CCC1(CC)NC(=O)N(CC(=O)Nc2ccncc2-c2nn[n-]n2)C1=O ZINC000736395323 599259520 /nfs/dbraw/zinc/25/95/20/599259520.db2.gz INFBNEZXKGNSRN-UHFFFAOYSA-N -1 3 358.362 -0.267 20 0 FBADHM CCC1(CC)NC(=O)N(CC(=O)Nc2ccncc2-c2nnn[n-]2)C1=O ZINC000736395323 599259516 /nfs/dbraw/zinc/25/95/16/599259516.db2.gz INFBNEZXKGNSRN-UHFFFAOYSA-N -1 3 358.362 -0.267 20 0 FBADHM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736396015 598874340 /nfs/dbraw/zinc/87/43/40/598874340.db2.gz KZXAKEQJCZGIES-JTQLQIEISA-N -1 3 354.367 -0.095 20 0 FBADHM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736396015 598874339 /nfs/dbraw/zinc/87/43/39/598874339.db2.gz KZXAKEQJCZGIES-JTQLQIEISA-N -1 3 354.367 -0.095 20 0 FBADHM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736396016 598874373 /nfs/dbraw/zinc/87/43/73/598874373.db2.gz KZXAKEQJCZGIES-SNVBAGLBSA-N -1 3 354.367 -0.095 20 0 FBADHM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736396016 598874372 /nfs/dbraw/zinc/87/43/72/598874372.db2.gz KZXAKEQJCZGIES-SNVBAGLBSA-N -1 3 354.367 -0.095 20 0 FBADHM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736396082 598406318 /nfs/dbraw/zinc/40/63/18/598406318.db2.gz LQMGFGKNRRYILZ-LLVKDONJSA-N -1 3 354.367 -0.095 20 0 FBADHM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736396085 598406678 /nfs/dbraw/zinc/40/66/78/598406678.db2.gz LQMGFGKNRRYILZ-NSHDSACASA-N -1 3 354.367 -0.095 20 0 FBADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736397001 598413246 /nfs/dbraw/zinc/41/32/46/598413246.db2.gz PZYVBUCCPUSACB-GFCCVEGCSA-N -1 3 357.374 -0.149 20 0 FBADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736397001 598413245 /nfs/dbraw/zinc/41/32/45/598413245.db2.gz PZYVBUCCPUSACB-GFCCVEGCSA-N -1 3 357.374 -0.149 20 0 FBADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736397004 598413051 /nfs/dbraw/zinc/41/30/51/598413051.db2.gz PZYVBUCCPUSACB-LBPRGKRZSA-N -1 3 357.374 -0.149 20 0 FBADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736397004 598413049 /nfs/dbraw/zinc/41/30/49/598413049.db2.gz PZYVBUCCPUSACB-LBPRGKRZSA-N -1 3 357.374 -0.149 20 0 FBADHM CC(C)C[C@H](NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1)C(=O)[O-] ZINC000736412709 599980072 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FBADHM CNC(=O)[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736872068 598403618 /nfs/dbraw/zinc/40/36/18/598403618.db2.gz WIFCXPQQKBZPRI-CYBMUJFWSA-N -1 3 371.401 -0.276 20 0 FBADHM CNC(=O)[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736872068 598403616 /nfs/dbraw/zinc/40/36/16/598403616.db2.gz WIFCXPQQKBZPRI-CYBMUJFWSA-N -1 3 371.401 -0.276 20 0 FBADHM CNC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736872069 598403229 /nfs/dbraw/zinc/40/32/29/598403229.db2.gz WIFCXPQQKBZPRI-ZDUSSCGKSA-N -1 3 371.401 -0.276 20 0 FBADHM CNC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736872069 598403228 /nfs/dbraw/zinc/40/32/28/598403228.db2.gz WIFCXPQQKBZPRI-ZDUSSCGKSA-N -1 3 371.401 -0.276 20 0 FBADHM CNC(=O)C1(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000736872098 599127457 /nfs/dbraw/zinc/12/74/57/599127457.db2.gz WYNITFBEPDTLSL-LLVKDONJSA-N -1 3 358.358 -0.147 20 0 FBADHM CNC(=O)C1(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000736872098 599127455 /nfs/dbraw/zinc/12/74/55/599127455.db2.gz WYNITFBEPDTLSL-LLVKDONJSA-N -1 3 358.358 -0.147 20 0 FBADHM CNC(=O)C1(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000736872099 599127157 /nfs/dbraw/zinc/12/71/57/599127157.db2.gz WYNITFBEPDTLSL-NSHDSACASA-N -1 3 358.358 -0.147 20 0 FBADHM CNC(=O)C1(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000736872099 599127154 /nfs/dbraw/zinc/12/71/54/599127154.db2.gz WYNITFBEPDTLSL-NSHDSACASA-N -1 3 358.358 -0.147 20 0 FBADHM CNC(=O)C1(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CCC1 ZINC000736872158 598360534 /nfs/dbraw/zinc/36/05/34/598360534.db2.gz ZJMXXSRLNLCJGJ-UHFFFAOYSA-N -1 3 370.417 -0.173 20 0 FBADHM CNC(=O)C1(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CCC1 ZINC000736872158 598360532 /nfs/dbraw/zinc/36/05/32/598360532.db2.gz ZJMXXSRLNLCJGJ-UHFFFAOYSA-N -1 3 370.417 -0.173 20 0 FBADHM CNC(=O)CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736873309 598478394 /nfs/dbraw/zinc/47/83/94/598478394.db2.gz IDEYQHLSWGNNKE-UHFFFAOYSA-N -1 3 373.421 -0.334 20 0 FBADHM CNC(=O)CCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736873309 598478392 /nfs/dbraw/zinc/47/83/92/598478392.db2.gz IDEYQHLSWGNNKE-UHFFFAOYSA-N -1 3 373.421 -0.334 20 0 FBADHM CNC(=O)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736873849 598471456 /nfs/dbraw/zinc/47/14/56/598471456.db2.gz NBOCBJDOHAPDBZ-UHFFFAOYSA-N -1 3 359.394 -0.724 20 0 FBADHM CNC(=O)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736873849 598471454 /nfs/dbraw/zinc/47/14/54/598471454.db2.gz NBOCBJDOHAPDBZ-UHFFFAOYSA-N -1 3 359.394 -0.724 20 0 FBADHM CNC(=O)CN(C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736874412 598432602 /nfs/dbraw/zinc/43/26/02/598432602.db2.gz QKCCFUUYNGYCGV-UHFFFAOYSA-N -1 3 355.362 -0.547 20 0 FBADHM CNC(=O)CN(C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736874412 598432601 /nfs/dbraw/zinc/43/26/01/598432601.db2.gz QKCCFUUYNGYCGV-UHFFFAOYSA-N -1 3 355.362 -0.547 20 0 FBADHM CNC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736874459 598436580 /nfs/dbraw/zinc/43/65/80/598436580.db2.gz QXBRRIIGROWEMA-UHFFFAOYSA-N -1 3 355.362 -0.500 20 0 FBADHM CNC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736874459 598436577 /nfs/dbraw/zinc/43/65/77/598436577.db2.gz QXBRRIIGROWEMA-UHFFFAOYSA-N -1 3 355.362 -0.500 20 0 FBADHM CNC(=O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736874605 598563990 /nfs/dbraw/zinc/56/39/90/598563990.db2.gz SBMYABIWRCIZKY-UHFFFAOYSA-N -1 3 369.288 -0.731 20 0 FBADHM CNC(=O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736874605 598563988 /nfs/dbraw/zinc/56/39/88/598563988.db2.gz SBMYABIWRCIZKY-UHFFFAOYSA-N -1 3 369.288 -0.731 20 0 FBADHM CNC(=O)CN1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736874704 598415750 /nfs/dbraw/zinc/41/57/50/598415750.db2.gz SXRSZSDANMKICR-UHFFFAOYSA-N -1 3 358.406 -0.831 20 0 FBADHM CNC(=O)c1ccc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC000736876692 599120985 /nfs/dbraw/zinc/12/09/85/599120985.db2.gz CBQNCNOSWPQABR-UHFFFAOYSA-N -1 3 366.389 -0.262 20 0 FBADHM CNC(=O)c1ccc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC000736876692 599120983 /nfs/dbraw/zinc/12/09/83/599120983.db2.gz CBQNCNOSWPQABR-UHFFFAOYSA-N -1 3 366.389 -0.262 20 0 FBADHM CNC(=O)c1ccc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nn1 ZINC000736876697 599120931 /nfs/dbraw/zinc/12/09/31/599120931.db2.gz CELJVZRTPWXFQH-UHFFFAOYSA-N -1 3 357.382 -0.609 20 0 FBADHM CNC(=O)c1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cn1 ZINC000736877432 598294566 /nfs/dbraw/zinc/29/45/66/598294566.db2.gz LAPDQNAKFXGJSL-UHFFFAOYSA-N -1 3 357.334 -0.743 20 0 FBADHM CNC(=O)c1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cn1 ZINC000736877432 598294565 /nfs/dbraw/zinc/29/45/65/598294565.db2.gz LAPDQNAKFXGJSL-UHFFFAOYSA-N -1 3 357.334 -0.743 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)n1 ZINC000736878266 599229528 /nfs/dbraw/zinc/22/95/28/599229528.db2.gz BTCXHIXZPKPKPB-UHFFFAOYSA-N -1 3 357.334 -0.778 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)n1 ZINC000736878266 599229525 /nfs/dbraw/zinc/22/95/25/599229525.db2.gz BTCXHIXZPKPKPB-UHFFFAOYSA-N -1 3 357.334 -0.778 20 0 FBADHM CNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736878294 598253465 /nfs/dbraw/zinc/25/34/65/598253465.db2.gz COEOGARPGHHYGQ-LLVKDONJSA-N -1 3 358.406 -0.167 20 0 FBADHM CNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736878294 598253462 /nfs/dbraw/zinc/25/34/62/598253462.db2.gz COEOGARPGHHYGQ-LLVKDONJSA-N -1 3 358.406 -0.167 20 0 FBADHM CNC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736878295 598253259 /nfs/dbraw/zinc/25/32/59/598253259.db2.gz COEOGARPGHHYGQ-NSHDSACASA-N -1 3 358.406 -0.167 20 0 FBADHM CNC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736878295 598253258 /nfs/dbraw/zinc/25/32/58/598253258.db2.gz COEOGARPGHHYGQ-NSHDSACASA-N -1 3 358.406 -0.167 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000736878298 599229650 /nfs/dbraw/zinc/22/96/50/599229650.db2.gz CTLPBBQEMFEAGA-SREVYHEPSA-N -1 3 353.346 -0.144 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000736878298 599229649 /nfs/dbraw/zinc/22/96/49/599229649.db2.gz CTLPBBQEMFEAGA-SREVYHEPSA-N -1 3 353.346 -0.144 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000736878299 599229368 /nfs/dbraw/zinc/22/93/68/599229368.db2.gz CTLPBBQEMFEAGA-VOTSOKGWSA-N -1 3 353.346 -0.144 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000736878299 599229365 /nfs/dbraw/zinc/22/93/65/599229365.db2.gz CTLPBBQEMFEAGA-VOTSOKGWSA-N -1 3 353.346 -0.144 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736878594 599229283 /nfs/dbraw/zinc/22/92/83/599229283.db2.gz DYZDOQLCQYLCAC-SECBINFHSA-N -1 3 371.361 -0.390 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736878595 599229589 /nfs/dbraw/zinc/22/95/89/599229589.db2.gz DYZDOQLCQYLCAC-VIFPVBQESA-N -1 3 371.361 -0.390 20 0 FBADHM CNC(=O)c1ccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000736878601 598664550 /nfs/dbraw/zinc/66/45/50/598664550.db2.gz FDCYRELYTAKJCX-UHFFFAOYSA-N -1 3 367.373 -0.142 20 0 FBADHM CNC(=O)c1ccc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000736878601 598664548 /nfs/dbraw/zinc/66/45/48/598664548.db2.gz FDCYRELYTAKJCX-UHFFFAOYSA-N -1 3 367.373 -0.142 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736878672 599229126 /nfs/dbraw/zinc/22/91/26/599229126.db2.gz HPYDGBLNJXKMGR-UHFFFAOYSA-N -1 3 373.402 -0.065 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736878672 599229124 /nfs/dbraw/zinc/22/91/24/599229124.db2.gz HPYDGBLNJXKMGR-UHFFFAOYSA-N -1 3 373.402 -0.065 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)COc2ccccc2-c2nn[n-]n2)n1 ZINC000736878865 599229338 /nfs/dbraw/zinc/22/93/38/599229338.db2.gz JSXVDMXJDJPOFK-UHFFFAOYSA-N -1 3 357.334 -0.778 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)COc2ccccc2-c2nnn[n-]2)n1 ZINC000736878865 599229335 /nfs/dbraw/zinc/22/93/35/599229335.db2.gz JSXVDMXJDJPOFK-UHFFFAOYSA-N -1 3 357.334 -0.778 20 0 FBADHM CNC(=O)NC(=O)COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736879069 598714927 /nfs/dbraw/zinc/71/49/27/598714927.db2.gz OVRLHMYZQZVYDE-UHFFFAOYSA-N -1 3 350.360 -0.042 20 0 FBADHM CNC(=O)NC(=O)COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736879069 598714925 /nfs/dbraw/zinc/71/49/25/598714925.db2.gz OVRLHMYZQZVYDE-UHFFFAOYSA-N -1 3 350.360 -0.042 20 0 FBADHM CNC(=O)NC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736879595 598256244 /nfs/dbraw/zinc/25/62/44/598256244.db2.gz VWINKNIXVODOEL-UHFFFAOYSA-N -1 3 362.369 -0.417 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736879618 599229056 /nfs/dbraw/zinc/22/90/56/599229056.db2.gz WRMAWAGPKCWLBR-UHFFFAOYSA-N -1 3 355.362 -0.225 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736879618 599229055 /nfs/dbraw/zinc/22/90/55/599229055.db2.gz WRMAWAGPKCWLBR-UHFFFAOYSA-N -1 3 355.362 -0.225 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)n1 ZINC000736879622 599229376 /nfs/dbraw/zinc/22/93/76/599229376.db2.gz WXWDNZYIHPQCOK-SECBINFHSA-N -1 3 371.361 -0.390 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)n1 ZINC000736879622 599229374 /nfs/dbraw/zinc/22/93/74/599229374.db2.gz WXWDNZYIHPQCOK-SECBINFHSA-N -1 3 371.361 -0.390 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)n1 ZINC000736879623 599229065 /nfs/dbraw/zinc/22/90/65/599229065.db2.gz WXWDNZYIHPQCOK-VIFPVBQESA-N -1 3 371.361 -0.390 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)n1 ZINC000736879623 599229064 /nfs/dbraw/zinc/22/90/64/599229064.db2.gz WXWDNZYIHPQCOK-VIFPVBQESA-N -1 3 371.361 -0.390 20 0 FBADHM CNC(=O)Cn1cnc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736879670 599229423 /nfs/dbraw/zinc/22/94/23/599229423.db2.gz YOPXAFAGEARMNN-UHFFFAOYSA-N -1 3 357.334 -0.778 20 0 FBADHM CNC(=O)NC(=O)COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736879725 598621552 /nfs/dbraw/zinc/62/15/52/598621552.db2.gz ZHTPUUVDNFDVKJ-GFCCVEGCSA-N -1 3 373.373 -0.166 20 0 FBADHM CNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736879727 598621421 /nfs/dbraw/zinc/62/14/21/598621421.db2.gz ZHTPUUVDNFDVKJ-LBPRGKRZSA-N -1 3 373.373 -0.166 20 0 FBADHM CNS(=O)(=O)[C@H]1CCCN(c2nnc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000736881234 598829956 /nfs/dbraw/zinc/82/99/56/598829956.db2.gz CEHYFNMKJSFTPF-JTQLQIEISA-N -1 3 352.424 -0.208 20 0 FBADHM CNS(=O)(=O)[C@H]1CCCN(c2nnc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736881234 598829954 /nfs/dbraw/zinc/82/99/54/598829954.db2.gz CEHYFNMKJSFTPF-JTQLQIEISA-N -1 3 352.424 -0.208 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCCN(c2nnc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000736881235 598829685 /nfs/dbraw/zinc/82/96/85/598829685.db2.gz CEHYFNMKJSFTPF-SNVBAGLBSA-N -1 3 352.424 -0.208 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCCN(c2nnc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736881235 598829684 /nfs/dbraw/zinc/82/96/84/598829684.db2.gz CEHYFNMKJSFTPF-SNVBAGLBSA-N -1 3 352.424 -0.208 20 0 FBADHM CNS(=O)(=O)CCCN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736881565 598813387 /nfs/dbraw/zinc/81/33/87/598813387.db2.gz CWJRPWUKQKEAHL-UHFFFAOYSA-N -1 3 366.451 -0.677 20 0 FBADHM CNS(=O)(=O)CCCN1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736881565 598813386 /nfs/dbraw/zinc/81/33/86/598813386.db2.gz CWJRPWUKQKEAHL-UHFFFAOYSA-N -1 3 366.451 -0.677 20 0 FBADHM CNS(=O)(=O)CCCOC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736881637 599368502 /nfs/dbraw/zinc/36/85/02/599368502.db2.gz FZHTZGGBWJAXSR-UHFFFAOYSA-N -1 3 355.376 -0.272 20 0 FBADHM CNS(=O)(=O)CCCOC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736881637 599368500 /nfs/dbraw/zinc/36/85/00/599368500.db2.gz FZHTZGGBWJAXSR-UHFFFAOYSA-N -1 3 355.376 -0.272 20 0 FBADHM CNS(=O)(=O)CCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736882096 598700655 /nfs/dbraw/zinc/70/06/55/598700655.db2.gz IKSSIJVSQQMKQC-UHFFFAOYSA-N -1 3 366.451 -0.677 20 0 FBADHM CNS(=O)(=O)CCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736882096 598700653 /nfs/dbraw/zinc/70/06/53/598700653.db2.gz IKSSIJVSQQMKQC-UHFFFAOYSA-N -1 3 366.451 -0.677 20 0 FBADHM CNS(=O)(=O)CCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736882616 598700567 /nfs/dbraw/zinc/70/05/67/598700567.db2.gz MHOIZQBNGJFFDS-UHFFFAOYSA-N -1 3 366.451 -0.677 20 0 FBADHM CNS(=O)(=O)CCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736882616 598700565 /nfs/dbraw/zinc/70/05/65/598700565.db2.gz MHOIZQBNGJFFDS-UHFFFAOYSA-N -1 3 366.451 -0.677 20 0 FBADHM CNS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736883167 598695027 /nfs/dbraw/zinc/69/50/27/598695027.db2.gz NIDLPJOOKVLCOU-UHFFFAOYSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736883167 598695025 /nfs/dbraw/zinc/69/50/25/598695025.db2.gz NIDLPJOOKVLCOU-UHFFFAOYSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)C1CCN(c2nnc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000736883197 598675012 /nfs/dbraw/zinc/67/50/12/598675012.db2.gz OBJVWKBIMSUXPR-UHFFFAOYSA-N -1 3 352.424 -0.208 20 0 FBADHM CNS(=O)(=O)C1CCN(c2nnc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000736883197 598675010 /nfs/dbraw/zinc/67/50/10/598675010.db2.gz OBJVWKBIMSUXPR-UHFFFAOYSA-N -1 3 352.424 -0.208 20 0 FBADHM CNC(=S)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736883780 598430851 /nfs/dbraw/zinc/43/08/51/598430851.db2.gz QVDUGBOIIOZCDW-UHFFFAOYSA-N -1 3 367.460 -0.323 20 0 FBADHM CNC(=S)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736883780 598430849 /nfs/dbraw/zinc/43/08/49/598430849.db2.gz QVDUGBOIIOZCDW-UHFFFAOYSA-N -1 3 367.460 -0.323 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736884475 598827104 /nfs/dbraw/zinc/82/71/04/598827104.db2.gz UREVFZBDXOLOBY-CYBMUJFWSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736884475 598827103 /nfs/dbraw/zinc/82/71/03/598827103.db2.gz UREVFZBDXOLOBY-CYBMUJFWSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736884479 598827311 /nfs/dbraw/zinc/82/73/11/598827311.db2.gz UREVFZBDXOLOBY-ZDUSSCGKSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736884479 598827310 /nfs/dbraw/zinc/82/73/10/598827310.db2.gz UREVFZBDXOLOBY-ZDUSSCGKSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000736884609 598827375 /nfs/dbraw/zinc/82/73/75/598827375.db2.gz WEISBBLLYIMOBS-JTQLQIEISA-N -1 3 351.392 -0.585 20 0 FBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000736884609 598827373 /nfs/dbraw/zinc/82/73/73/598827373.db2.gz WEISBBLLYIMOBS-JTQLQIEISA-N -1 3 351.392 -0.585 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000736884612 598827297 /nfs/dbraw/zinc/82/72/97/598827297.db2.gz WEISBBLLYIMOBS-SNVBAGLBSA-N -1 3 351.392 -0.585 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000736884612 598827295 /nfs/dbraw/zinc/82/72/95/598827295.db2.gz WEISBBLLYIMOBS-SNVBAGLBSA-N -1 3 351.392 -0.585 20 0 FBADHM CNS(=O)(=O)CCCOC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736885140 599367925 /nfs/dbraw/zinc/36/79/25/599367925.db2.gz XXPBDPVWLIWGDB-UHFFFAOYSA-N -1 3 355.376 -0.272 20 0 FBADHM CC[C@@H](C)[C@H](NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1)C(=O)[O-] ZINC000736886996 599979884 /nfs/dbraw/zinc/97/98/84/599979884.db2.gz QURYCEGMKJNUJE-PBHICJAKSA-N -1 3 368.478 -0.158 20 0 FBADHM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1)C(=O)[O-] ZINC000736886997 599980216 /nfs/dbraw/zinc/98/02/16/599980216.db2.gz QURYCEGMKJNUJE-RHSMWYFYSA-N -1 3 368.478 -0.158 20 0 FBADHM CC[C@H](C)[C@@H](NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1)C(=O)[O-] ZINC000736886998 599979949 /nfs/dbraw/zinc/97/99/49/599979949.db2.gz QURYCEGMKJNUJE-WMLDXEAASA-N -1 3 368.478 -0.158 20 0 FBADHM CC[C@H](C)[C@H](NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1)C(=O)[O-] ZINC000736886999 599980077 /nfs/dbraw/zinc/98/00/77/599980077.db2.gz QURYCEGMKJNUJE-YOEHRIQHSA-N -1 3 368.478 -0.158 20 0 FBADHM COC(=O)[C@@H](C)CN(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736890037 598403435 /nfs/dbraw/zinc/40/34/35/598403435.db2.gz ZSONDBLQEUSHDR-JTQLQIEISA-N -1 3 360.374 -0.136 20 0 FBADHM COC(=O)[C@@H](C)CN(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736890037 598403434 /nfs/dbraw/zinc/40/34/34/598403434.db2.gz ZSONDBLQEUSHDR-JTQLQIEISA-N -1 3 360.374 -0.136 20 0 FBADHM COC(=O)[C@H](C)CN(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736890038 598403412 /nfs/dbraw/zinc/40/34/12/598403412.db2.gz ZSONDBLQEUSHDR-SNVBAGLBSA-N -1 3 360.374 -0.136 20 0 FBADHM COC(=O)[C@H](C)CN(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736890038 598403410 /nfs/dbraw/zinc/40/34/10/598403410.db2.gz ZSONDBLQEUSHDR-SNVBAGLBSA-N -1 3 360.374 -0.136 20 0 FBADHM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736891011 599513792 /nfs/dbraw/zinc/51/37/92/599513792.db2.gz HKISYQPRYJXNKI-SSDOTTSWSA-N -1 3 350.310 -0.130 20 0 FBADHM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736891011 599513790 /nfs/dbraw/zinc/51/37/90/599513790.db2.gz HKISYQPRYJXNKI-SSDOTTSWSA-N -1 3 350.310 -0.130 20 0 FBADHM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736891013 599513729 /nfs/dbraw/zinc/51/37/29/599513729.db2.gz HKISYQPRYJXNKI-ZETCQYMHSA-N -1 3 350.310 -0.130 20 0 FBADHM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736891013 599513727 /nfs/dbraw/zinc/51/37/27/599513727.db2.gz HKISYQPRYJXNKI-ZETCQYMHSA-N -1 3 350.310 -0.130 20 0 FBADHM COC(=O)[C@H](NCCCN1C(=O)CNC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736892540 598883840 /nfs/dbraw/zinc/88/38/40/598883840.db2.gz AIBHOBSSWAVEGK-CYBMUJFWSA-N -1 3 373.373 -0.388 20 0 FBADHM COC(=O)[C@H](NCCCN1C(=O)CNC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736892540 598883838 /nfs/dbraw/zinc/88/38/38/598883838.db2.gz AIBHOBSSWAVEGK-CYBMUJFWSA-N -1 3 373.373 -0.388 20 0 FBADHM COC(=O)[C@@H](NCCCN1C(=O)CNC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736892543 598884039 /nfs/dbraw/zinc/88/40/39/598884039.db2.gz AIBHOBSSWAVEGK-ZDUSSCGKSA-N -1 3 373.373 -0.388 20 0 FBADHM COC(=O)[C@@H](NCCCN1C(=O)CNC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736892543 598884038 /nfs/dbraw/zinc/88/40/38/598884038.db2.gz AIBHOBSSWAVEGK-ZDUSSCGKSA-N -1 3 373.373 -0.388 20 0 FBADHM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736895262 599514277 /nfs/dbraw/zinc/51/42/77/599514277.db2.gz XOPUSHOZGSVYTM-MRVPVSSYSA-N -1 3 362.346 -0.261 20 0 FBADHM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736895262 599514275 /nfs/dbraw/zinc/51/42/75/599514275.db2.gz XOPUSHOZGSVYTM-MRVPVSSYSA-N -1 3 362.346 -0.261 20 0 FBADHM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736895267 599514169 /nfs/dbraw/zinc/51/41/69/599514169.db2.gz XOPUSHOZGSVYTM-QMMMGPOBSA-N -1 3 362.346 -0.261 20 0 FBADHM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736895267 599514167 /nfs/dbraw/zinc/51/41/67/599514167.db2.gz XOPUSHOZGSVYTM-QMMMGPOBSA-N -1 3 362.346 -0.261 20 0 FBADHM COC(=O)[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736895978 599275797 /nfs/dbraw/zinc/27/57/97/599275797.db2.gz KPJSVNYBOQGMIW-CYBMUJFWSA-N -1 3 360.374 -0.090 20 0 FBADHM COC(=O)[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736895978 599275795 /nfs/dbraw/zinc/27/57/95/599275795.db2.gz KPJSVNYBOQGMIW-CYBMUJFWSA-N -1 3 360.374 -0.090 20 0 FBADHM COC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736895979 599275856 /nfs/dbraw/zinc/27/58/56/599275856.db2.gz KPJSVNYBOQGMIW-ZDUSSCGKSA-N -1 3 360.374 -0.090 20 0 FBADHM COC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736895979 599275854 /nfs/dbraw/zinc/27/58/54/599275854.db2.gz KPJSVNYBOQGMIW-ZDUSSCGKSA-N -1 3 360.374 -0.090 20 0 FBADHM COC(=O)[C@H](OC(=O)C1CC(=O)NC(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896723 598899312 /nfs/dbraw/zinc/89/93/12/598899312.db2.gz JPXZNOMEJNGFNR-CYBMUJFWSA-N -1 3 373.325 -0.323 20 0 FBADHM COC(=O)[C@H](OC(=O)C1CC(=O)NC(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896723 598899311 /nfs/dbraw/zinc/89/93/11/598899311.db2.gz JPXZNOMEJNGFNR-CYBMUJFWSA-N -1 3 373.325 -0.323 20 0 FBADHM COC(=O)[C@@H](OC(=O)C1CC(=O)NC(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896727 598899439 /nfs/dbraw/zinc/89/94/39/598899439.db2.gz JPXZNOMEJNGFNR-ZDUSSCGKSA-N -1 3 373.325 -0.323 20 0 FBADHM COC(=O)[C@@H](OC(=O)C1CC(=O)NC(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896727 598899437 /nfs/dbraw/zinc/89/94/37/598899437.db2.gz JPXZNOMEJNGFNR-ZDUSSCGKSA-N -1 3 373.325 -0.323 20 0 FBADHM COC(=O)[C@H](OC(=O)C1=NNC(=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896876 598893052 /nfs/dbraw/zinc/89/30/52/598893052.db2.gz KRRIYMWGCYYCNT-GFCCVEGCSA-N -1 3 358.314 -0.110 20 0 FBADHM COC(=O)[C@H](OC(=O)C1=NNC(=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896876 598893051 /nfs/dbraw/zinc/89/30/51/598893051.db2.gz KRRIYMWGCYYCNT-GFCCVEGCSA-N -1 3 358.314 -0.110 20 0 FBADHM COC(=O)[C@@H](OC(=O)C1=NNC(=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896878 598893253 /nfs/dbraw/zinc/89/32/53/598893253.db2.gz KRRIYMWGCYYCNT-LBPRGKRZSA-N -1 3 358.314 -0.110 20 0 FBADHM COC(=O)[C@@H](OC(=O)C1=NNC(=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896878 598893251 /nfs/dbraw/zinc/89/32/51/598893251.db2.gz KRRIYMWGCYYCNT-LBPRGKRZSA-N -1 3 358.314 -0.110 20 0 FBADHM COC(=O)[C@H](NCCN1C(=O)CNC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896941 598886099 /nfs/dbraw/zinc/88/60/99/598886099.db2.gz POBSOOBUAQHYMJ-GFCCVEGCSA-N -1 3 359.346 -0.778 20 0 FBADHM COC(=O)[C@H](NCCN1C(=O)CNC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896941 598886097 /nfs/dbraw/zinc/88/60/97/598886097.db2.gz POBSOOBUAQHYMJ-GFCCVEGCSA-N -1 3 359.346 -0.778 20 0 FBADHM COC(=O)[C@@H](NCCN1C(=O)CNC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896942 598886453 /nfs/dbraw/zinc/88/64/53/598886453.db2.gz POBSOOBUAQHYMJ-LBPRGKRZSA-N -1 3 359.346 -0.778 20 0 FBADHM COC(=O)[C@@H](NCCN1C(=O)CNC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896942 598886450 /nfs/dbraw/zinc/88/64/50/598886450.db2.gz POBSOOBUAQHYMJ-LBPRGKRZSA-N -1 3 359.346 -0.778 20 0 FBADHM COC(=O)[C@@H](OC(=O)CN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898994 598893285 /nfs/dbraw/zinc/89/32/85/598893285.db2.gz LUFAUMPTOOBFNL-AWEZNQCLSA-N -1 3 373.325 -0.227 20 0 FBADHM COC(=O)[C@@H](OC(=O)CN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898994 598893283 /nfs/dbraw/zinc/89/32/83/598893283.db2.gz LUFAUMPTOOBFNL-AWEZNQCLSA-N -1 3 373.325 -0.227 20 0 FBADHM COC(=O)[C@H](OC(=O)CN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898995 598893157 /nfs/dbraw/zinc/89/31/57/598893157.db2.gz LUFAUMPTOOBFNL-CQSZACIVSA-N -1 3 373.325 -0.227 20 0 FBADHM COC(=O)[C@H](OC(=O)CN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898995 598893155 /nfs/dbraw/zinc/89/31/55/598893155.db2.gz LUFAUMPTOOBFNL-CQSZACIVSA-N -1 3 373.325 -0.227 20 0 FBADHM COC(=O)[C@H](OC(=O)CN1CC(=O)NC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900620 598901221 /nfs/dbraw/zinc/90/12/21/598901221.db2.gz SWSJCOUPBCHFLT-GFCCVEGCSA-N -1 3 374.313 -0.824 20 0 FBADHM COC(=O)[C@@H](OC(=O)CN1CC(=O)NC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900624 598901235 /nfs/dbraw/zinc/90/12/35/598901235.db2.gz SWSJCOUPBCHFLT-LBPRGKRZSA-N -1 3 374.313 -0.824 20 0 FBADHM COC(=O)[C@H](OC(=O)CS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900958 598899950 /nfs/dbraw/zinc/89/99/50/598899950.db2.gz UZQSLSCPEDUJFJ-LLVKDONJSA-N -1 3 354.344 -0.331 20 0 FBADHM COC(=O)[C@H](OC(=O)CS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900958 598899949 /nfs/dbraw/zinc/89/99/49/598899949.db2.gz UZQSLSCPEDUJFJ-LLVKDONJSA-N -1 3 354.344 -0.331 20 0 FBADHM COC(=O)[C@@H](OC(=O)CS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900959 598900117 /nfs/dbraw/zinc/90/01/17/598900117.db2.gz UZQSLSCPEDUJFJ-NSHDSACASA-N -1 3 354.344 -0.331 20 0 FBADHM COC(=O)[C@@H](OC(=O)CS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900959 598900116 /nfs/dbraw/zinc/90/01/16/598900116.db2.gz UZQSLSCPEDUJFJ-NSHDSACASA-N -1 3 354.344 -0.331 20 0 FBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)CC(=O)N1CCOCC1 ZINC000736901578 598864011 /nfs/dbraw/zinc/86/40/11/598864011.db2.gz MBGBNMPMFVTMBE-HNNXBMFYSA-N -1 3 374.401 -0.129 20 0 FBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)CC(=O)N1CCOCC1 ZINC000736901578 598864009 /nfs/dbraw/zinc/86/40/09/598864009.db2.gz MBGBNMPMFVTMBE-HNNXBMFYSA-N -1 3 374.401 -0.129 20 0 FBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)CC(=O)N1CCOCC1 ZINC000736901579 598864024 /nfs/dbraw/zinc/86/40/24/598864024.db2.gz MBGBNMPMFVTMBE-OAHLLOKOSA-N -1 3 374.401 -0.129 20 0 FBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)CC(=O)N1CCOCC1 ZINC000736901579 598864023 /nfs/dbraw/zinc/86/40/23/598864023.db2.gz MBGBNMPMFVTMBE-OAHLLOKOSA-N -1 3 374.401 -0.129 20 0 FBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000736901608 599288648 /nfs/dbraw/zinc/28/86/48/599288648.db2.gz MWLNCLSKVYNVLN-BDJLRTHQSA-N -1 3 371.357 -0.635 20 0 FBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000736901609 599288669 /nfs/dbraw/zinc/28/86/69/599288669.db2.gz MWLNCLSKVYNVLN-BZNIZROVSA-N -1 3 371.357 -0.635 20 0 FBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000736901610 599288909 /nfs/dbraw/zinc/28/89/09/599288909.db2.gz MWLNCLSKVYNVLN-MEDUHNTESA-N -1 3 371.357 -0.635 20 0 FBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000736901611 599288892 /nfs/dbraw/zinc/28/88/92/599288892.db2.gz MWLNCLSKVYNVLN-ZBEGNZNMSA-N -1 3 371.357 -0.635 20 0 FBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(N)=O)CC1 ZINC000736902144 598861449 /nfs/dbraw/zinc/86/14/49/598861449.db2.gz RDWZAOBCFLFHIC-AWEZNQCLSA-N -1 3 359.390 -0.816 20 0 FBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC(N)=O)CC1 ZINC000736902144 598861447 /nfs/dbraw/zinc/86/14/47/598861447.db2.gz RDWZAOBCFLFHIC-AWEZNQCLSA-N -1 3 359.390 -0.816 20 0 FBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(N)=O)CC1 ZINC000736902145 598861443 /nfs/dbraw/zinc/86/14/43/598861443.db2.gz RDWZAOBCFLFHIC-CQSZACIVSA-N -1 3 359.390 -0.816 20 0 FBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC(N)=O)CC1 ZINC000736902145 598861441 /nfs/dbraw/zinc/86/14/41/598861441.db2.gz RDWZAOBCFLFHIC-CQSZACIVSA-N -1 3 359.390 -0.816 20 0 FBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](CNC(C)=O)C1 ZINC000736902982 598864255 /nfs/dbraw/zinc/86/42/55/598864255.db2.gz XCEQLNPKLJGRDL-CABCVRRESA-N -1 3 374.401 -0.082 20 0 FBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](CNC(C)=O)C1 ZINC000736902982 598864253 /nfs/dbraw/zinc/86/42/53/598864253.db2.gz XCEQLNPKLJGRDL-CABCVRRESA-N -1 3 374.401 -0.082 20 0 FBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](CNC(C)=O)C1 ZINC000736902983 598864084 /nfs/dbraw/zinc/86/40/84/598864084.db2.gz XCEQLNPKLJGRDL-GJZGRUSLSA-N -1 3 374.401 -0.082 20 0 FBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](CNC(C)=O)C1 ZINC000736902983 598864083 /nfs/dbraw/zinc/86/40/83/598864083.db2.gz XCEQLNPKLJGRDL-GJZGRUSLSA-N -1 3 374.401 -0.082 20 0 FBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](CNC(C)=O)C1 ZINC000736902984 598863953 /nfs/dbraw/zinc/86/39/53/598863953.db2.gz XCEQLNPKLJGRDL-HUUCEWRRSA-N -1 3 374.401 -0.082 20 0 FBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](CNC(C)=O)C1 ZINC000736902984 598863950 /nfs/dbraw/zinc/86/39/50/598863950.db2.gz XCEQLNPKLJGRDL-HUUCEWRRSA-N -1 3 374.401 -0.082 20 0 FBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](CNC(C)=O)C1 ZINC000736902985 598864123 /nfs/dbraw/zinc/86/41/23/598864123.db2.gz XCEQLNPKLJGRDL-LSDHHAIUSA-N -1 3 374.401 -0.082 20 0 FBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](CNC(C)=O)C1 ZINC000736902985 598864122 /nfs/dbraw/zinc/86/41/22/598864122.db2.gz XCEQLNPKLJGRDL-LSDHHAIUSA-N -1 3 374.401 -0.082 20 0 FBADHM COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736907684 598638751 /nfs/dbraw/zinc/63/87/51/598638751.db2.gz CNXAYDYRFYEJBM-MRVPVSSYSA-N -1 3 362.321 -0.034 20 0 FBADHM COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736907684 598638750 /nfs/dbraw/zinc/63/87/50/598638750.db2.gz CNXAYDYRFYEJBM-MRVPVSSYSA-N -1 3 362.321 -0.034 20 0 FBADHM COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736907687 598638340 /nfs/dbraw/zinc/63/83/40/598638340.db2.gz CNXAYDYRFYEJBM-QMMMGPOBSA-N -1 3 362.321 -0.034 20 0 FBADHM 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ZINC000736908483 598444384 /nfs/dbraw/zinc/44/43/84/598444384.db2.gz LUUGQMBWBWJSPM-RYUDHWBXSA-N -1 3 357.374 -0.281 20 0 FBADHM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736908483 598444383 /nfs/dbraw/zinc/44/43/83/598444383.db2.gz LUUGQMBWBWJSPM-RYUDHWBXSA-N -1 3 357.374 -0.281 20 0 FBADHM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736908487 598443916 /nfs/dbraw/zinc/44/39/16/598443916.db2.gz LUUGQMBWBWJSPM-VXGBXAGGSA-N -1 3 357.374 -0.281 20 0 FBADHM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736908487 598443914 /nfs/dbraw/zinc/44/39/14/598443914.db2.gz LUUGQMBWBWJSPM-VXGBXAGGSA-N -1 3 357.374 -0.281 20 0 FBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)CC1 ZINC000736909722 598863281 /nfs/dbraw/zinc/86/32/81/598863281.db2.gz RHLNVZLLKRFMHM-GFCCVEGCSA-N -1 3 351.388 -0.189 20 0 FBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)(=O)CC1 ZINC000736909722 598863280 /nfs/dbraw/zinc/86/32/80/598863280.db2.gz RHLNVZLLKRFMHM-GFCCVEGCSA-N -1 3 351.388 -0.189 20 0 FBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)CC1 ZINC000736909724 598862834 /nfs/dbraw/zinc/86/28/34/598862834.db2.gz RHLNVZLLKRFMHM-LBPRGKRZSA-N -1 3 351.388 -0.189 20 0 FBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)(=O)CC1 ZINC000736909724 598862832 /nfs/dbraw/zinc/86/28/32/598862832.db2.gz RHLNVZLLKRFMHM-LBPRGKRZSA-N -1 3 351.388 -0.189 20 0 FBADHM COC(=O)[C@@H]1C[C@@H]1C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736909845 598474717 /nfs/dbraw/zinc/47/47/17/598474717.db2.gz MKXLGBXVWBCSHI-NEPJUHHUSA-N -1 3 359.342 -0.165 20 0 FBADHM COC(=O)[C@@H]1C[C@@H]1C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736909845 598474715 /nfs/dbraw/zinc/47/47/15/598474715.db2.gz MKXLGBXVWBCSHI-NEPJUHHUSA-N -1 3 359.342 -0.165 20 0 FBADHM COC(=O)[C@H]1C[C@H]1C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736909847 598474678 /nfs/dbraw/zinc/47/46/78/598474678.db2.gz MKXLGBXVWBCSHI-NWDGAFQWSA-N -1 3 359.342 -0.165 20 0 FBADHM 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COC[C@@H](C)S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736967366 599274370 /nfs/dbraw/zinc/27/43/70/599274370.db2.gz AZJPVBNIJVALMG-LLVKDONJSA-N -1 3 367.435 -0.252 20 0 FBADHM COC[C@@H](C)S(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736967366 599274368 /nfs/dbraw/zinc/27/43/68/599274368.db2.gz AZJPVBNIJVALMG-LLVKDONJSA-N -1 3 367.435 -0.252 20 0 FBADHM COC[C@H](C)S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736967369 599274183 /nfs/dbraw/zinc/27/41/83/599274183.db2.gz AZJPVBNIJVALMG-NSHDSACASA-N -1 3 367.435 -0.252 20 0 FBADHM COC[C@H](C)S(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736967369 599274182 /nfs/dbraw/zinc/27/41/82/599274182.db2.gz AZJPVBNIJVALMG-NSHDSACASA-N -1 3 367.435 -0.252 20 0 FBADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736968042 599513750 /nfs/dbraw/zinc/51/37/50/599513750.db2.gz PDCAOYWGKYRYCI-AWEZNQCLSA-N -1 3 368.781 -0.028 20 0 FBADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736968042 599513749 /nfs/dbraw/zinc/51/37/49/599513749.db2.gz PDCAOYWGKYRYCI-AWEZNQCLSA-N -1 3 368.781 -0.028 20 0 FBADHM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736968044 599513648 /nfs/dbraw/zinc/51/36/48/599513648.db2.gz PDCAOYWGKYRYCI-CQSZACIVSA-N -1 3 368.781 -0.028 20 0 FBADHM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736968044 599513647 /nfs/dbraw/zinc/51/36/47/599513647.db2.gz PDCAOYWGKYRYCI-CQSZACIVSA-N -1 3 368.781 -0.028 20 0 FBADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736968047 599513642 /nfs/dbraw/zinc/51/36/42/599513642.db2.gz PEQVMLWVOJQJSM-AWEZNQCLSA-N -1 3 368.781 -0.028 20 0 FBADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736968047 599513641 /nfs/dbraw/zinc/51/36/41/599513641.db2.gz PEQVMLWVOJQJSM-AWEZNQCLSA-N -1 3 368.781 -0.028 20 0 FBADHM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736968050 599513713 /nfs/dbraw/zinc/51/37/13/599513713.db2.gz PEQVMLWVOJQJSM-CQSZACIVSA-N -1 3 368.781 -0.028 20 0 FBADHM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736968050 599513711 /nfs/dbraw/zinc/51/37/11/599513711.db2.gz PEQVMLWVOJQJSM-CQSZACIVSA-N -1 3 368.781 -0.028 20 0 FBADHM COC[C@@](C)(O)CNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736968289 660425146 /nfs/dbraw/zinc/42/51/46/660425146.db2.gz QKAYNCMQLVXTOR-AWEZNQCLSA-N -1 3 350.383 -0.630 20 0 FBADHM COC[C@@](C)(O)CNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736968289 660425145 /nfs/dbraw/zinc/42/51/45/660425145.db2.gz QKAYNCMQLVXTOR-AWEZNQCLSA-N -1 3 350.383 -0.630 20 0 FBADHM COC[C@](C)(O)CNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736968290 660425133 /nfs/dbraw/zinc/42/51/33/660425133.db2.gz QKAYNCMQLVXTOR-CQSZACIVSA-N -1 3 350.383 -0.630 20 0 FBADHM COC[C@](C)(O)CNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736968290 660425132 /nfs/dbraw/zinc/42/51/32/660425132.db2.gz QKAYNCMQLVXTOR-CQSZACIVSA-N -1 3 350.383 -0.630 20 0 FBADHM COC[C@@H](C)S(=O)(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736969047 599274166 /nfs/dbraw/zinc/27/41/66/599274166.db2.gz JQPRMXFLPOMPLZ-LLVKDONJSA-N -1 3 367.435 -0.252 20 0 FBADHM COC[C@@H](C)S(=O)(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736969047 599274165 /nfs/dbraw/zinc/27/41/65/599274165.db2.gz JQPRMXFLPOMPLZ-LLVKDONJSA-N -1 3 367.435 -0.252 20 0 FBADHM COC[C@H](C)S(=O)(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736969048 599274040 /nfs/dbraw/zinc/27/40/40/599274040.db2.gz JQPRMXFLPOMPLZ-NSHDSACASA-N -1 3 367.435 -0.252 20 0 FBADHM COC[C@H](C)S(=O)(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736969048 599274038 /nfs/dbraw/zinc/27/40/38/599274038.db2.gz JQPRMXFLPOMPLZ-NSHDSACASA-N -1 3 367.435 -0.252 20 0 FBADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736969751 599513881 /nfs/dbraw/zinc/51/38/81/599513881.db2.gz YQVOJWLSNFPYQB-HNNXBMFYSA-N -1 3 364.362 -0.673 20 0 FBADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736969751 599513878 /nfs/dbraw/zinc/51/38/78/599513878.db2.gz YQVOJWLSNFPYQB-HNNXBMFYSA-N -1 3 364.362 -0.673 20 0 FBADHM COC[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736969752 599514050 /nfs/dbraw/zinc/51/40/50/599514050.db2.gz YQVOJWLSNFPYQB-OAHLLOKOSA-N -1 3 364.362 -0.673 20 0 FBADHM COC[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736969752 599514047 /nfs/dbraw/zinc/51/40/47/599514047.db2.gz YQVOJWLSNFPYQB-OAHLLOKOSA-N -1 3 364.362 -0.673 20 0 FBADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736969755 599514209 /nfs/dbraw/zinc/51/42/09/599514209.db2.gz YTBDCLUETWAAOO-AWEZNQCLSA-N -1 3 352.326 -0.542 20 0 FBADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736969755 599514207 /nfs/dbraw/zinc/51/42/07/599514207.db2.gz YTBDCLUETWAAOO-AWEZNQCLSA-N -1 3 352.326 -0.542 20 0 FBADHM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736969756 599513659 /nfs/dbraw/zinc/51/36/59/599513659.db2.gz YTBDCLUETWAAOO-CQSZACIVSA-N -1 3 352.326 -0.542 20 0 FBADHM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736969756 599513658 /nfs/dbraw/zinc/51/36/58/599513658.db2.gz YTBDCLUETWAAOO-CQSZACIVSA-N -1 3 352.326 -0.542 20 0 FBADHM COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736969989 598482324 /nfs/dbraw/zinc/48/23/24/598482324.db2.gz NNDSGLZAZWKTMO-MRVPVSSYSA-N -1 3 363.334 -0.721 20 0 FBADHM COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736969989 598482322 /nfs/dbraw/zinc/48/23/22/598482322.db2.gz NNDSGLZAZWKTMO-MRVPVSSYSA-N -1 3 363.334 -0.721 20 0 FBADHM COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736969990 598482663 /nfs/dbraw/zinc/48/26/63/598482663.db2.gz NNDSGLZAZWKTMO-QMMMGPOBSA-N -1 3 363.334 -0.721 20 0 FBADHM COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736969990 598482661 /nfs/dbraw/zinc/48/26/61/598482661.db2.gz NNDSGLZAZWKTMO-QMMMGPOBSA-N -1 3 363.334 -0.721 20 0 FBADHM COC[C@@H](C)S(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736971601 599274090 /nfs/dbraw/zinc/27/40/90/599274090.db2.gz VKMLNIUCYVEFKJ-LLVKDONJSA-N -1 3 367.435 -0.252 20 0 FBADHM COC[C@@H](C)S(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736971601 599274089 /nfs/dbraw/zinc/27/40/89/599274089.db2.gz VKMLNIUCYVEFKJ-LLVKDONJSA-N -1 3 367.435 -0.252 20 0 FBADHM COC[C@H](C)S(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736971604 599274126 /nfs/dbraw/zinc/27/41/26/599274126.db2.gz VKMLNIUCYVEFKJ-NSHDSACASA-N -1 3 367.435 -0.252 20 0 FBADHM COC[C@H](C)S(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736971604 599274125 /nfs/dbraw/zinc/27/41/25/599274125.db2.gz VKMLNIUCYVEFKJ-NSHDSACASA-N -1 3 367.435 -0.252 20 0 FBADHM COC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736976080 598422984 /nfs/dbraw/zinc/42/29/84/598422984.db2.gz CPGRFGIMMDMXJS-HNNXBMFYSA-N -1 3 359.346 -0.238 20 0 FBADHM COC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736976080 598422981 /nfs/dbraw/zinc/42/29/81/598422981.db2.gz CPGRFGIMMDMXJS-HNNXBMFYSA-N -1 3 359.346 -0.238 20 0 FBADHM COC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736976082 598422884 /nfs/dbraw/zinc/42/28/84/598422884.db2.gz CPGRFGIMMDMXJS-OAHLLOKOSA-N -1 3 359.346 -0.238 20 0 FBADHM COC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736976082 598422883 /nfs/dbraw/zinc/42/28/83/598422883.db2.gz CPGRFGIMMDMXJS-OAHLLOKOSA-N -1 3 359.346 -0.238 20 0 FBADHM COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736977151 599513913 /nfs/dbraw/zinc/51/39/13/599513913.db2.gz UJCNPBOGCWMLQC-HNNXBMFYSA-N -1 3 366.353 -0.152 20 0 FBADHM COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736977151 599513911 /nfs/dbraw/zinc/51/39/11/599513911.db2.gz UJCNPBOGCWMLQC-HNNXBMFYSA-N -1 3 366.353 -0.152 20 0 FBADHM COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736977152 599514262 /nfs/dbraw/zinc/51/42/62/599514262.db2.gz UJCNPBOGCWMLQC-OAHLLOKOSA-N -1 3 366.353 -0.152 20 0 FBADHM COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736977152 599514260 /nfs/dbraw/zinc/51/42/60/599514260.db2.gz UJCNPBOGCWMLQC-OAHLLOKOSA-N -1 3 366.353 -0.152 20 0 FBADHM COC[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736977444 598423174 /nfs/dbraw/zinc/42/31/74/598423174.db2.gz LHSIHQQQNSJYRX-INIZCTEOSA-N -1 3 373.373 -0.560 20 0 FBADHM COC[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736977444 598423172 /nfs/dbraw/zinc/42/31/72/598423172.db2.gz LHSIHQQQNSJYRX-INIZCTEOSA-N -1 3 373.373 -0.560 20 0 FBADHM COC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736977449 598423430 /nfs/dbraw/zinc/42/34/30/598423430.db2.gz LHSIHQQQNSJYRX-MRXNPFEDSA-N -1 3 373.373 -0.560 20 0 FBADHM COC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736977449 598423429 /nfs/dbraw/zinc/42/34/29/598423429.db2.gz LHSIHQQQNSJYRX-MRXNPFEDSA-N -1 3 373.373 -0.560 20 0 FBADHM COC[C@@H](CCO)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736978043 598906973 /nfs/dbraw/zinc/90/69/73/598906973.db2.gz NPMKTAUAMKLYOI-LLVKDONJSA-N -1 3 350.383 -0.630 20 0 FBADHM COC[C@@H](CCO)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736978043 598906971 /nfs/dbraw/zinc/90/69/71/598906971.db2.gz NPMKTAUAMKLYOI-LLVKDONJSA-N -1 3 350.383 -0.630 20 0 FBADHM COC[C@H](CCO)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736978045 598907020 /nfs/dbraw/zinc/90/70/20/598907020.db2.gz NPMKTAUAMKLYOI-NSHDSACASA-N -1 3 350.383 -0.630 20 0 FBADHM COC[C@H](CCO)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736978045 598907018 /nfs/dbraw/zinc/90/70/18/598907018.db2.gz NPMKTAUAMKLYOI-NSHDSACASA-N -1 3 350.383 -0.630 20 0 FBADHM COC[C@H](CCO)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736978399 598906913 /nfs/dbraw/zinc/90/69/13/598906913.db2.gz QAZQJNGTWSMRDC-JTQLQIEISA-N -1 3 350.383 -0.630 20 0 FBADHM COC[C@H](CCO)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736978399 598906912 /nfs/dbraw/zinc/90/69/12/598906912.db2.gz QAZQJNGTWSMRDC-JTQLQIEISA-N -1 3 350.383 -0.630 20 0 FBADHM COC[C@@H](CCO)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736978401 598906985 /nfs/dbraw/zinc/90/69/85/598906985.db2.gz QAZQJNGTWSMRDC-SNVBAGLBSA-N -1 3 350.383 -0.630 20 0 FBADHM COC[C@@H](CCO)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736978401 598906983 /nfs/dbraw/zinc/90/69/83/598906983.db2.gz QAZQJNGTWSMRDC-SNVBAGLBSA-N -1 3 350.383 -0.630 20 0 FBADHM COC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736979254 598423985 /nfs/dbraw/zinc/42/39/85/598423985.db2.gz SSMKWBHMGCIDLA-HNNXBMFYSA-N -1 3 359.346 -0.238 20 0 FBADHM COC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736979254 598423983 /nfs/dbraw/zinc/42/39/83/598423983.db2.gz SSMKWBHMGCIDLA-HNNXBMFYSA-N -1 3 359.346 -0.238 20 0 FBADHM COC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736979257 598424025 /nfs/dbraw/zinc/42/40/25/598424025.db2.gz SSMKWBHMGCIDLA-OAHLLOKOSA-N -1 3 359.346 -0.238 20 0 FBADHM COC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736979257 598424024 /nfs/dbraw/zinc/42/40/24/598424024.db2.gz SSMKWBHMGCIDLA-OAHLLOKOSA-N -1 3 359.346 -0.238 20 0 FBADHM COC[C@]1(C)NC(=O)N(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736981236 598423888 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C[S@@](=O)CCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737171877 599215175 /nfs/dbraw/zinc/21/51/75/599215175.db2.gz FGYQVOSRWSNWCV-XMMPIXPASA-N -1 3 350.404 -0.519 20 0 FBADHM C[S@@](=O)CCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737171877 599215174 /nfs/dbraw/zinc/21/51/74/599215174.db2.gz FGYQVOSRWSNWCV-XMMPIXPASA-N -1 3 350.404 -0.519 20 0 FBADHM C[S@@](=O)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737172146 599215207 /nfs/dbraw/zinc/21/52/07/599215207.db2.gz GUAXTZZOURTJQL-RUZDIDTESA-N -1 3 364.435 -0.528 20 0 FBADHM C[S@@](=O)CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737172146 599215206 /nfs/dbraw/zinc/21/52/06/599215206.db2.gz GUAXTZZOURTJQL-RUZDIDTESA-N -1 3 364.435 -0.528 20 0 FBADHM C[S@](=O)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737172147 599215093 /nfs/dbraw/zinc/21/50/93/599215093.db2.gz GUAXTZZOURTJQL-VWLOTQADSA-N -1 3 364.435 -0.528 20 0 FBADHM C[S@](=O)CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737172147 599215091 /nfs/dbraw/zinc/21/50/91/599215091.db2.gz GUAXTZZOURTJQL-VWLOTQADSA-N -1 3 364.435 -0.528 20 0 FBADHM C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737172176 599513873 /nfs/dbraw/zinc/51/38/73/599513873.db2.gz HHPPOBISQNDDTP-HSZRJFAPSA-N -1 3 356.795 -0.047 20 0 FBADHM C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737172176 599513870 /nfs/dbraw/zinc/51/38/70/599513870.db2.gz HHPPOBISQNDDTP-HSZRJFAPSA-N -1 3 356.795 -0.047 20 0 FBADHM C[S@](=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737172178 599513809 /nfs/dbraw/zinc/51/38/09/599513809.db2.gz HHPPOBISQNDDTP-QHCPKHFHSA-N -1 3 356.795 -0.047 20 0 FBADHM C[S@](=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737172178 599513807 /nfs/dbraw/zinc/51/38/07/599513807.db2.gz HHPPOBISQNDDTP-QHCPKHFHSA-N -1 3 356.795 -0.047 20 0 FBADHM C[S@@](=O)CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737172937 599199949 /nfs/dbraw/zinc/19/99/49/599199949.db2.gz MIYJINJMMYYNAZ-RUZDIDTESA-N -1 3 360.403 -0.257 20 0 FBADHM C[S@@](=O)CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737172937 599199947 /nfs/dbraw/zinc/19/99/47/599199947.db2.gz MIYJINJMMYYNAZ-RUZDIDTESA-N -1 3 360.403 -0.257 20 0 FBADHM C[S@](=O)CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737172938 599200075 /nfs/dbraw/zinc/20/00/75/599200075.db2.gz MIYJINJMMYYNAZ-VWLOTQADSA-N -1 3 360.403 -0.257 20 0 FBADHM C[S@](=O)CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737172938 599200074 /nfs/dbraw/zinc/20/00/74/599200074.db2.gz MIYJINJMMYYNAZ-VWLOTQADSA-N -1 3 360.403 -0.257 20 0 FBADHM C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737174218 599200010 /nfs/dbraw/zinc/20/00/10/599200010.db2.gz UJUFQHWKINKYDR-HSZRJFAPSA-N -1 3 356.795 -0.047 20 0 FBADHM C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737174218 599200008 /nfs/dbraw/zinc/20/00/08/599200008.db2.gz UJUFQHWKINKYDR-HSZRJFAPSA-N -1 3 356.795 -0.047 20 0 FBADHM C[S@](=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737174221 599199942 /nfs/dbraw/zinc/19/99/42/599199942.db2.gz UJUFQHWKINKYDR-QHCPKHFHSA-N -1 3 356.795 -0.047 20 0 FBADHM C[S@](=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737174221 599199941 /nfs/dbraw/zinc/19/99/41/599199941.db2.gz UJUFQHWKINKYDR-QHCPKHFHSA-N -1 3 356.795 -0.047 20 0 FBADHM C[S@@](=O)CCN1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737174635 660498399 /nfs/dbraw/zinc/49/83/99/660498399.db2.gz WMGGSZPAEUDCKH-RUZDIDTESA-N -1 3 362.459 -0.068 20 0 FBADHM C[S@@](=O)CCN1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737174635 660498396 /nfs/dbraw/zinc/49/83/96/660498396.db2.gz WMGGSZPAEUDCKH-RUZDIDTESA-N -1 3 362.459 -0.068 20 0 FBADHM C[S@](=O)CCN1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737174636 660498305 /nfs/dbraw/zinc/49/83/05/660498305.db2.gz WMGGSZPAEUDCKH-VWLOTQADSA-N -1 3 362.459 -0.068 20 0 FBADHM C[S@](=O)CCN1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737174636 660498303 /nfs/dbraw/zinc/49/83/03/660498303.db2.gz WMGGSZPAEUDCKH-VWLOTQADSA-N -1 3 362.459 -0.068 20 0 FBADHM Cc1c(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)nnn1C ZINC000737206480 599098472 /nfs/dbraw/zinc/09/84/72/599098472.db2.gz HLHIYQLVLKSVSG-UHFFFAOYSA-N -1 3 354.378 -0.339 20 0 FBADHM Cc1c(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)nnn1C ZINC000737206480 599098469 /nfs/dbraw/zinc/09/84/69/599098469.db2.gz HLHIYQLVLKSVSG-UHFFFAOYSA-N -1 3 354.378 -0.339 20 0 FBADHM Cc1c(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nnn1C ZINC000737206485 599071682 /nfs/dbraw/zinc/07/16/82/599071682.db2.gz HOEWWXNGPFVBFH-UHFFFAOYSA-N -1 3 354.378 -0.339 20 0 FBADHM Cc1c(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nnn1C ZINC000737206485 599071679 /nfs/dbraw/zinc/07/16/79/599071679.db2.gz HOEWWXNGPFVBFH-UHFFFAOYSA-N -1 3 354.378 -0.339 20 0 FBADHM Cc1c(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)nnn1C ZINC000737208124 599098396 /nfs/dbraw/zinc/09/83/96/599098396.db2.gz ZSXQYEVFSUCBAU-UHFFFAOYSA-N -1 3 354.378 -0.339 20 0 FBADHM Cc1c(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)nnn1C ZINC000737208124 599098394 /nfs/dbraw/zinc/09/83/94/599098394.db2.gz ZSXQYEVFSUCBAU-UHFFFAOYSA-N -1 3 354.378 -0.339 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCCN(C(N)=O)CC1 ZINC000737220158 599001852 /nfs/dbraw/zinc/00/18/52/599001852.db2.gz DJHMLLMFJMOWFB-UHFFFAOYSA-N -1 3 365.419 -0.050 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCCN(C(N)=O)CC1 ZINC000737220158 599001850 /nfs/dbraw/zinc/00/18/50/599001850.db2.gz DJHMLLMFJMOWFB-UHFFFAOYSA-N -1 3 365.419 -0.050 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCCS(=O)(=O)CC1 ZINC000737221261 599006805 /nfs/dbraw/zinc/00/68/05/599006805.db2.gz KPFSCRGEHIXGSE-UHFFFAOYSA-N -1 3 371.444 -0.016 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCCS(=O)(=O)CC1 ZINC000737221261 599006802 /nfs/dbraw/zinc/00/68/02/599006802.db2.gz KPFSCRGEHIXGSE-UHFFFAOYSA-N -1 3 371.444 -0.016 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000737221491 598995935 /nfs/dbraw/zinc/99/59/35/598995935.db2.gz NCAXUXROEYJHDC-LLVKDONJSA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000737221491 598995933 /nfs/dbraw/zinc/99/59/33/598995933.db2.gz NCAXUXROEYJHDC-LLVKDONJSA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000737221493 598995928 /nfs/dbraw/zinc/99/59/28/598995928.db2.gz NCAXUXROEYJHDC-NSHDSACASA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000737221493 598995926 /nfs/dbraw/zinc/99/59/26/598995926.db2.gz NCAXUXROEYJHDC-NSHDSACASA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)CCS(C)(=O)=O ZINC000737221770 599003847 /nfs/dbraw/zinc/00/38/47/599003847.db2.gz QXZHLFVNSJAEHA-UHFFFAOYSA-N -1 3 359.433 -0.160 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)CCS(C)(=O)=O ZINC000737221770 599003845 /nfs/dbraw/zinc/00/38/45/599003845.db2.gz QXZHLFVNSJAEHA-UHFFFAOYSA-N -1 3 359.433 -0.160 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000737223109 598994951 /nfs/dbraw/zinc/99/49/51/598994951.db2.gz AHWZQFVOFKLTIA-JTQLQIEISA-N -1 3 357.417 -0.359 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000737223109 598994950 /nfs/dbraw/zinc/99/49/50/598994950.db2.gz AHWZQFVOFKLTIA-JTQLQIEISA-N -1 3 357.417 -0.359 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000737223111 598994787 /nfs/dbraw/zinc/99/47/87/598994787.db2.gz AHWZQFVOFKLTIA-SNVBAGLBSA-N -1 3 357.417 -0.359 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000737223111 598994785 /nfs/dbraw/zinc/99/47/85/598994785.db2.gz AHWZQFVOFKLTIA-SNVBAGLBSA-N -1 3 357.417 -0.359 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 ZINC000737223196 599002217 /nfs/dbraw/zinc/00/22/17/599002217.db2.gz BYYMXLILSIOLTR-JTQLQIEISA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 ZINC000737223196 599002215 /nfs/dbraw/zinc/00/22/15/599002215.db2.gz BYYMXLILSIOLTR-JTQLQIEISA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000737223197 599001930 /nfs/dbraw/zinc/00/19/30/599001930.db2.gz BYYMXLILSIOLTR-SNVBAGLBSA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000737223197 599001928 /nfs/dbraw/zinc/00/19/28/599001928.db2.gz BYYMXLILSIOLTR-SNVBAGLBSA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCNS(C)(=O)=O ZINC000737223269 598997880 /nfs/dbraw/zinc/99/78/80/598997880.db2.gz DADQZFMVPIEEKS-UHFFFAOYSA-N -1 3 374.448 -0.607 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCNS(C)(=O)=O ZINC000737223269 598997878 /nfs/dbraw/zinc/99/78/78/598997878.db2.gz DADQZFMVPIEEKS-UHFFFAOYSA-N -1 3 374.448 -0.607 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000737223284 599006856 /nfs/dbraw/zinc/00/68/56/599006856.db2.gz DLOIYIJFKCDTNV-JTQLQIEISA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000737223284 599006854 /nfs/dbraw/zinc/00/68/54/599006854.db2.gz DLOIYIJFKCDTNV-JTQLQIEISA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000737223285 599007006 /nfs/dbraw/zinc/00/70/06/599007006.db2.gz DLOIYIJFKCDTNV-SNVBAGLBSA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000737223285 599007005 /nfs/dbraw/zinc/00/70/05/599007005.db2.gz DLOIYIJFKCDTNV-SNVBAGLBSA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H]1CN(C)CCO1 ZINC000737223300 599002200 /nfs/dbraw/zinc/00/22/00/599002200.db2.gz DXYPPCPHZMKCTN-GFCCVEGCSA-N -1 3 352.420 -0.216 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H]1CN(C)CCO1 ZINC000737223300 599002198 /nfs/dbraw/zinc/00/21/98/599002198.db2.gz DXYPPCPHZMKCTN-GFCCVEGCSA-N -1 3 352.420 -0.216 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H]1CN(C)CCO1 ZINC000737223301 599002341 /nfs/dbraw/zinc/00/23/41/599002341.db2.gz DXYPPCPHZMKCTN-LBPRGKRZSA-N -1 3 352.420 -0.216 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H]1CN(C)CCO1 ZINC000737223301 599002338 /nfs/dbraw/zinc/00/23/38/599002338.db2.gz DXYPPCPHZMKCTN-LBPRGKRZSA-N -1 3 352.420 -0.216 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCN1C(=O)CNC1=O ZINC000737223865 599005817 /nfs/dbraw/zinc/00/58/17/599005817.db2.gz KVHNVCLUKNGTDF-UHFFFAOYSA-N -1 3 365.375 -0.995 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCN1C(=O)CNC1=O ZINC000737223865 599005815 /nfs/dbraw/zinc/00/58/15/599005815.db2.gz KVHNVCLUKNGTDF-UHFFFAOYSA-N -1 3 365.375 -0.995 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCN1CCOCC1 ZINC000737223922 598995006 /nfs/dbraw/zinc/99/50/06/598995006.db2.gz LRTVCSQCLYMBIV-UHFFFAOYSA-N -1 3 352.420 -0.214 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCN1CCOCC1 ZINC000737223922 598995005 /nfs/dbraw/zinc/99/50/05/598995005.db2.gz LRTVCSQCLYMBIV-UHFFFAOYSA-N -1 3 352.420 -0.214 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000737224207 599003870 /nfs/dbraw/zinc/00/38/70/599003870.db2.gz 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ZINC000737224223 599005586 /nfs/dbraw/zinc/00/55/86/599005586.db2.gz PIUREJWPOACBAV-ZDUSSCGKSA-N -1 3 365.463 -0.301 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H]1CN(C)CCN1C ZINC000737224223 599005583 /nfs/dbraw/zinc/00/55/83/599005583.db2.gz PIUREJWPOACBAV-ZDUSSCGKSA-N -1 3 365.463 -0.301 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000737224372 599006744 /nfs/dbraw/zinc/00/67/44/599006744.db2.gz SPLTZMTWVRYUOQ-JTQLQIEISA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000737224372 599006741 /nfs/dbraw/zinc/00/67/41/599006741.db2.gz SPLTZMTWVRYUOQ-JTQLQIEISA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000737224373 599006588 /nfs/dbraw/zinc/00/65/88/599006588.db2.gz SPLTZMTWVRYUOQ-SNVBAGLBSA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000737224373 599006587 /nfs/dbraw/zinc/00/65/87/599006587.db2.gz 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Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000737224570 598997885 /nfs/dbraw/zinc/99/78/85/598997885.db2.gz XJTRUFJYHDNSSE-SNVBAGLBSA-N -1 3 371.444 -0.112 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCS(C)(=O)=O ZINC000737224657 599001097 /nfs/dbraw/zinc/00/10/97/599001097.db2.gz ZBXJDYXEBZMVSG-UHFFFAOYSA-N -1 3 359.433 -0.112 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCS(C)(=O)=O ZINC000737224657 599001095 /nfs/dbraw/zinc/00/10/95/599001095.db2.gz ZBXJDYXEBZMVSG-UHFFFAOYSA-N -1 3 359.433 -0.112 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCNS(C)(=O)=O ZINC000737224725 598998064 /nfs/dbraw/zinc/99/80/64/598998064.db2.gz ZVMIOQDMLBQHHP-UHFFFAOYSA-N -1 3 360.421 -0.997 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCNS(C)(=O)=O ZINC000737224725 598998063 /nfs/dbraw/zinc/99/80/63/598998063.db2.gz ZVMIOQDMLBQHHP-UHFFFAOYSA-N -1 3 360.421 -0.997 20 0 FBADHM Cc1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)n(C)n1 ZINC000737272009 599509736 /nfs/dbraw/zinc/50/97/36/599509736.db2.gz 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ZINC000737287507 598305864 /nfs/dbraw/zinc/30/58/64/598305864.db2.gz DFPKMKQRUVQLFQ-GFCCVEGCSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCN1CCO[C@H](C)C1 ZINC000737287507 598305862 /nfs/dbraw/zinc/30/58/62/598305862.db2.gz DFPKMKQRUVQLFQ-GFCCVEGCSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCN1CCO[C@@H](C)C1 ZINC000737287511 598305942 /nfs/dbraw/zinc/30/59/42/598305942.db2.gz DFPKMKQRUVQLFQ-LBPRGKRZSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCN1CCO[C@@H](C)C1 ZINC000737287511 598305941 /nfs/dbraw/zinc/30/59/41/598305941.db2.gz DFPKMKQRUVQLFQ-LBPRGKRZSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000737287714 598292044 /nfs/dbraw/zinc/29/20/44/598292044.db2.gz GRXNLDLUWRHBED-GFCCVEGCSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000737287714 598292042 /nfs/dbraw/zinc/29/20/42/598292042.db2.gz GRXNLDLUWRHBED-GFCCVEGCSA-N 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ZINC000737288088 599616378 /nfs/dbraw/zinc/61/63/78/599616378.db2.gz HYMPYJAYSRHYDP-NSHDSACASA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCN1C(=O)CCC1=O ZINC000737288149 599516841 /nfs/dbraw/zinc/51/68/41/599516841.db2.gz ILMVHDNSGYTBLA-UHFFFAOYSA-N -1 3 371.357 -0.621 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCN1C(=O)CCC1=O ZINC000737288149 599516839 /nfs/dbraw/zinc/51/68/39/599516839.db2.gz ILMVHDNSGYTBLA-UHFFFAOYSA-N -1 3 371.357 -0.621 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000737288529 599284233 /nfs/dbraw/zinc/28/42/33/599284233.db2.gz LBMBXQZONFHIDN-GFCCVEGCSA-N -1 3 359.390 -0.440 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000737288531 599283963 /nfs/dbraw/zinc/28/39/63/599283963.db2.gz LBMBXQZONFHIDN-LBPRGKRZSA-N -1 3 359.390 -0.440 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)CCS(C)(=O)=O ZINC000737288665 598565785 /nfs/dbraw/zinc/56/57/85/598565785.db2.gz MJUSFQFQKMMDIN-UHFFFAOYSA-N -1 3 366.403 -0.383 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)CCS(C)(=O)=O ZINC000737288665 598565784 /nfs/dbraw/zinc/56/57/84/598565784.db2.gz MJUSFQFQKMMDIN-UHFFFAOYSA-N -1 3 366.403 -0.383 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000737289278 598908324 /nfs/dbraw/zinc/90/83/24/598908324.db2.gz QGLMGKRDDFPEMG-UHFFFAOYSA-N -1 3 364.387 -0.629 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000737289278 598908323 /nfs/dbraw/zinc/90/83/23/598908323.db2.gz QGLMGKRDDFPEMG-UHFFFAOYSA-N -1 3 364.387 -0.629 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCS(C)(=O)=O ZINC000737289753 599512309 /nfs/dbraw/zinc/51/23/09/599512309.db2.gz SNZSWYPASJICTG-UHFFFAOYSA-N -1 3 352.376 -0.726 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCS(C)(=O)=O ZINC000737289753 599512306 /nfs/dbraw/zinc/51/23/06/599512306.db2.gz SNZSWYPASJICTG-UHFFFAOYSA-N -1 3 352.376 -0.726 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000737290591 598856242 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FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1(O)CCOCC1 ZINC000737290954 599514550 /nfs/dbraw/zinc/51/45/50/599514550.db2.gz ZKEGJTXRHDUCEA-UHFFFAOYSA-N -1 3 360.374 -0.229 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC1(O)CCOCC1 ZINC000737290954 599514549 /nfs/dbraw/zinc/51/45/49/599514549.db2.gz ZKEGJTXRHDUCEA-UHFFFAOYSA-N -1 3 360.374 -0.229 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)CCS(C)(=O)=O ZINC000737296298 598956031 /nfs/dbraw/zinc/95/60/31/598956031.db2.gz IZEOLGJSTWFBRH-UHFFFAOYSA-N -1 3 359.433 -0.160 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)CCS(C)(=O)=O ZINC000737296298 598956029 /nfs/dbraw/zinc/95/60/29/598956029.db2.gz IZEOLGJSTWFBRH-UHFFFAOYSA-N -1 3 359.433 -0.160 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCS(C)(=O)=O ZINC000737296942 598953030 /nfs/dbraw/zinc/95/30/30/598953030.db2.gz BUCNEHDEOISKSG-UHFFFAOYSA-N -1 3 359.433 -0.112 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCCS(C)(=O)=O ZINC000737296942 598953028 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ZINC000737369046 600502191 /nfs/dbraw/zinc/50/21/91/600502191.db2.gz DRUATECBEGQFME-UHFFFAOYSA-N -1 3 350.485 -0.547 20 0 FBADHM Cc1ccn2ncc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)c2n1 ZINC000737436091 598294770 /nfs/dbraw/zinc/29/47/70/598294770.db2.gz KUIJTMMIHDIBIS-UHFFFAOYSA-N -1 3 354.334 -0.146 20 0 FBADHM Cc1ccn2ncc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)c2n1 ZINC000737436091 598294769 /nfs/dbraw/zinc/29/47/69/598294769.db2.gz KUIJTMMIHDIBIS-UHFFFAOYSA-N -1 3 354.334 -0.146 20 0 FBADHM CN(CCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)C1CC1 ZINC000737444307 600467533 /nfs/dbraw/zinc/46/75/33/600467533.db2.gz ZSFJNCLNJUQBJS-UHFFFAOYSA-N -1 3 362.386 -0.350 20 0 FBADHM Cc1cnn(CCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737447943 599276853 /nfs/dbraw/zinc/27/68/53/599276853.db2.gz HTSLIVJWWQGZCF-UHFFFAOYSA-N -1 3 354.374 -0.082 20 0 FBADHM Cc1cnn(CCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737447943 599276850 /nfs/dbraw/zinc/27/68/50/599276850.db2.gz HTSLIVJWWQGZCF-UHFFFAOYSA-N -1 3 354.374 -0.082 20 0 FBADHM Cc1csc(=O)n1CCC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737456311 598607212 /nfs/dbraw/zinc/60/72/12/598607212.db2.gz CXYQTTGLOACAJQ-UHFFFAOYSA-N -1 3 364.391 -0.189 20 0 FBADHM Cc1csc(=O)n1CCC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737456311 598607210 /nfs/dbraw/zinc/60/72/10/598607210.db2.gz CXYQTTGLOACAJQ-UHFFFAOYSA-N -1 3 364.391 -0.189 20 0 FBADHM Cc1nnc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)[nH]1 ZINC000737476072 599386895 /nfs/dbraw/zinc/38/68/95/599386895.db2.gz AFROLOTYQVIPBG-UHFFFAOYSA-N -1 3 354.378 -0.354 20 0 FBADHM Cc1nnc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)[nH]1 ZINC000737476072 599386892 /nfs/dbraw/zinc/38/68/92/599386892.db2.gz AFROLOTYQVIPBG-UHFFFAOYSA-N -1 3 354.378 -0.354 20 0 FBADHM Cc1nnc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)[nH]1 ZINC000737476090 599386839 /nfs/dbraw/zinc/38/68/39/599386839.db2.gz BANIRYCUAHLWEB-UHFFFAOYSA-N -1 3 354.378 -0.354 20 0 FBADHM Cc1nc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)no1 ZINC000737477284 598768221 /nfs/dbraw/zinc/76/82/21/598768221.db2.gz MCJKSPMIXYNCAN-UHFFFAOYSA-N -1 3 355.362 -0.089 20 0 FBADHM Cc1nc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)no1 ZINC000737477284 598768219 /nfs/dbraw/zinc/76/82/19/598768219.db2.gz MCJKSPMIXYNCAN-UHFFFAOYSA-N -1 3 355.362 -0.089 20 0 FBADHM Cc1nc(NC(=O)CNC(=O)C2CC2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737481560 598932560 /nfs/dbraw/zinc/93/25/60/598932560.db2.gz ZBMNCKZUJDUIKM-UHFFFAOYSA-N -1 3 367.373 -0.358 20 0 FBADHM Cc1nc(NC(=O)c2nnn(C)c2C)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737482531 599201489 /nfs/dbraw/zinc/20/14/89/599201489.db2.gz NXSDMLZVKFVJHM-UHFFFAOYSA-N -1 3 365.361 -0.133 20 0 FBADHM Cc1nc(NC(=O)c2nccnc2N)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737483341 598932568 /nfs/dbraw/zinc/93/25/68/598932568.db2.gz VALXSYFRJMLYJU-UHFFFAOYSA-N -1 3 363.345 -0.198 20 0 FBADHM Cc1nc(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1C ZINC000737483839 598423545 /nfs/dbraw/zinc/42/35/45/598423545.db2.gz PBOMUWZZILRNEN-UHFFFAOYSA-N -1 3 363.407 -0.306 20 0 FBADHM Cc1nc(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)cn1C ZINC000737484402 598423897 /nfs/dbraw/zinc/42/38/97/598423897.db2.gz SNNQTKAZUKIASM-UHFFFAOYSA-N -1 3 363.407 -0.306 20 0 FBADHM Cc1nc(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)cn1C ZINC000737484402 598423895 /nfs/dbraw/zinc/42/38/95/598423895.db2.gz SNNQTKAZUKIASM-UHFFFAOYSA-N -1 3 363.407 -0.306 20 0 FBADHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000737487760 598409258 /nfs/dbraw/zinc/40/92/58/598409258.db2.gz MKLCDWAAWUOPDX-UHFFFAOYSA-N -1 3 368.361 -0.280 20 0 FBADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737489654 598431815 /nfs/dbraw/zinc/43/18/15/598431815.db2.gz KRCAGUTZCDTPGF-GFCCVEGCSA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737489654 598431813 /nfs/dbraw/zinc/43/18/13/598431813.db2.gz KRCAGUTZCDTPGF-GFCCVEGCSA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737489659 598431748 /nfs/dbraw/zinc/43/17/48/598431748.db2.gz KRCAGUTZCDTPGF-LBPRGKRZSA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737489659 598431746 /nfs/dbraw/zinc/43/17/46/598431746.db2.gz KRCAGUTZCDTPGF-LBPRGKRZSA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737489824 598431668 /nfs/dbraw/zinc/43/16/68/598431668.db2.gz LQRFSDOOJXJUGT-GFCCVEGCSA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737489824 598431666 /nfs/dbraw/zinc/43/16/66/598431666.db2.gz LQRFSDOOJXJUGT-GFCCVEGCSA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737489825 598431641 /nfs/dbraw/zinc/43/16/41/598431641.db2.gz LQRFSDOOJXJUGT-LBPRGKRZSA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737489825 598431640 /nfs/dbraw/zinc/43/16/40/598431640.db2.gz LQRFSDOOJXJUGT-LBPRGKRZSA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1nc2n(n1)C[C@@H](N[C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737490482 599076007 /nfs/dbraw/zinc/07/60/07/599076007.db2.gz VIQWPTOUIYLKJY-GXTWGEPZSA-N -1 3 353.390 -0.102 20 0 FBADHM Cc1nc2n(n1)C[C@@H](N[C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737490486 599075902 /nfs/dbraw/zinc/07/59/02/599075902.db2.gz VIQWPTOUIYLKJY-JSGCOSHPSA-N -1 3 353.390 -0.102 20 0 FBADHM Cc1nc2n(n1)C[C@H](N[C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737490489 599075887 /nfs/dbraw/zinc/07/58/87/599075887.db2.gz VIQWPTOUIYLKJY-OCCSQVGLSA-N -1 3 353.390 -0.102 20 0 FBADHM Cc1nc2n(n1)C[C@H](N[C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737490491 599075560 /nfs/dbraw/zinc/07/55/60/599075560.db2.gz VIQWPTOUIYLKJY-TZMCWYRMSA-N -1 3 353.390 -0.102 20 0 FBADHM Cc1ncc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000737493133 599507358 /nfs/dbraw/zinc/50/73/58/599507358.db2.gz ZNVZTGZJVIKCMS-UHFFFAOYSA-N -1 3 368.361 -0.473 20 0 FBADHM Cc1ncc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000737493133 599507355 /nfs/dbraw/zinc/50/73/55/599507355.db2.gz ZNVZTGZJVIKCMS-UHFFFAOYSA-N -1 3 368.361 -0.473 20 0 FBADHM Cc1ncc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)cn1 ZINC000737493173 599510074 /nfs/dbraw/zinc/51/00/74/599510074.db2.gz ZXFCYUVHLRNPJQ-UHFFFAOYSA-N -1 3 368.361 -0.473 20 0 FBADHM Cc1ncc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)cn1 ZINC000737493173 599510072 /nfs/dbraw/zinc/51/00/72/599510072.db2.gz ZXFCYUVHLRNPJQ-UHFFFAOYSA-N -1 3 368.361 -0.473 20 0 FBADHM Cc1nn(C)c(N2CCN(CC(=O)N3CCCC3)CC2)c1-c1nn[n-]n1 ZINC000737510595 598630430 /nfs/dbraw/zinc/63/04/30/598630430.db2.gz FIHDCOVOWJSCKE-UHFFFAOYSA-N -1 3 359.438 -0.347 20 0 FBADHM Cc1nn(C)c(N2CCN(CC(=O)N3CCCC3)CC2)c1-c1nnn[n-]1 ZINC000737510595 598630427 /nfs/dbraw/zinc/63/04/27/598630427.db2.gz FIHDCOVOWJSCKE-UHFFFAOYSA-N -1 3 359.438 -0.347 20 0 FBADHM Cc1nn(C)c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1-c1nn[n-]n1 ZINC000737512044 598631949 /nfs/dbraw/zinc/63/19/49/598631949.db2.gz RBAACLUOISHGHH-LLVKDONJSA-N -1 3 359.438 -0.302 20 0 FBADHM Cc1nn(C)c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1-c1nnn[n-]1 ZINC000737512044 598631947 /nfs/dbraw/zinc/63/19/47/598631947.db2.gz RBAACLUOISHGHH-LLVKDONJSA-N -1 3 359.438 -0.302 20 0 FBADHM Cc1nn(C)c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1-c1nn[n-]n1 ZINC000737512049 598631758 /nfs/dbraw/zinc/63/17/58/598631758.db2.gz RBAACLUOISHGHH-NSHDSACASA-N -1 3 359.438 -0.302 20 0 FBADHM Cc1nn(C)c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1-c1nnn[n-]1 ZINC000737512049 598631756 /nfs/dbraw/zinc/63/17/56/598631756.db2.gz RBAACLUOISHGHH-NSHDSACASA-N -1 3 359.438 -0.302 20 0 FBADHM Cc1nn(C)c(N2CCN(C(=O)N3CCOCC3)CC2)c1-c1nn[n-]n1 ZINC000737512076 598631962 /nfs/dbraw/zinc/63/19/62/598631962.db2.gz REYPQNIVTRGBPQ-UHFFFAOYSA-N -1 3 361.410 -0.517 20 0 FBADHM Cc1nn(C)c(N2CCN(C(=O)N3CCOCC3)CC2)c1-c1nnn[n-]1 ZINC000737512076 598631961 /nfs/dbraw/zinc/63/19/61/598631961.db2.gz REYPQNIVTRGBPQ-UHFFFAOYSA-N -1 3 361.410 -0.517 20 0 FBADHM Cc1nnc(N2CCC(CS(N)(=O)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000737520147 598749660 /nfs/dbraw/zinc/74/96/60/598749660.db2.gz DOZLCLKABRIPGR-UHFFFAOYSA-N -1 3 352.424 -0.222 20 0 FBADHM Cc1nnc(N2CCC(CS(N)(=O)=O)CC2)c(-c2nnn[n-]2)c1C ZINC000737520147 598749658 /nfs/dbraw/zinc/74/96/58/598749658.db2.gz DOZLCLKABRIPGR-UHFFFAOYSA-N -1 3 352.424 -0.222 20 0 FBADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)N1CCNC1=O ZINC000737520293 598827836 /nfs/dbraw/zinc/82/78/36/598827836.db2.gz DJRGXJKFIZEFCP-UHFFFAOYSA-N -1 3 353.346 -0.015 20 0 FBADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)N1CCNC1=O ZINC000737520293 598827834 /nfs/dbraw/zinc/82/78/34/598827834.db2.gz DJRGXJKFIZEFCP-UHFFFAOYSA-N -1 3 353.346 -0.015 20 0 FBADHM Cc1nnc(N2CCC[C@@H](CNS(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000737521599 598551862 /nfs/dbraw/zinc/55/18/62/598551862.db2.gz NBMTZNGCWDSFMW-JTQLQIEISA-N -1 3 367.439 -0.717 20 0 FBADHM Cc1nnc(N2CCC[C@@H](CNS(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000737521599 598551861 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FBADHM Cn1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)C2=O)cn1 ZINC000737609174 599087417 /nfs/dbraw/zinc/08/74/17/599087417.db2.gz DFHMQEAZSZMCIG-ZDUSSCGKSA-N -1 3 367.373 -0.079 20 0 FBADHM Cn1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)C2=O)cn1 ZINC000737609174 599087415 /nfs/dbraw/zinc/08/74/15/599087415.db2.gz DFHMQEAZSZMCIG-ZDUSSCGKSA-N -1 3 367.373 -0.079 20 0 FBADHM Cn1cc(NC(=O)COc2ccccc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000737609384 598914036 /nfs/dbraw/zinc/91/40/36/598914036.db2.gz GHVYEXMYOCMPAD-UHFFFAOYSA-N -1 3 357.330 -0.718 20 0 FBADHM Cn1cc(NC(=O)COc2ccccc2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000737609384 598914035 /nfs/dbraw/zinc/91/40/35/598914035.db2.gz GHVYEXMYOCMPAD-UHFFFAOYSA-N -1 3 357.330 -0.718 20 0 FBADHM Cn1cc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)C2=O)cn1 ZINC000737609453 599260635 /nfs/dbraw/zinc/26/06/35/599260635.db2.gz HPHYQIVSUOHNHM-GFCCVEGCSA-N -1 3 353.346 -0.470 20 0 FBADHM Cn1cc(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)C2=O)cn1 ZINC000737609453 599260634 /nfs/dbraw/zinc/26/06/34/599260634.db2.gz HPHYQIVSUOHNHM-GFCCVEGCSA-N -1 3 353.346 -0.470 20 0 FBADHM Cn1cc(N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)C2=O)cn1 ZINC000737609455 599260278 /nfs/dbraw/zinc/26/02/78/599260278.db2.gz HPHYQIVSUOHNHM-LBPRGKRZSA-N -1 3 353.346 -0.470 20 0 FBADHM Cn1cc(N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)C2=O)cn1 ZINC000737609455 599260275 /nfs/dbraw/zinc/26/02/75/599260275.db2.gz HPHYQIVSUOHNHM-LBPRGKRZSA-N -1 3 353.346 -0.470 20 0 FBADHM Cn1cc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c(=O)n(C)c1=O ZINC000737609786 598913633 /nfs/dbraw/zinc/91/36/33/598913633.db2.gz JJVQYZNNMKZMKD-UHFFFAOYSA-N -1 3 357.330 -0.718 20 0 FBADHM Cn1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C(N)=O ZINC000737610278 598400369 /nfs/dbraw/zinc/40/03/69/598400369.db2.gz MENMEYREUATQDC-UHFFFAOYSA-N -1 3 368.357 -0.327 20 0 FBADHM Cn1cc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C(N)=O ZINC000737610278 598400368 /nfs/dbraw/zinc/40/03/68/598400368.db2.gz MENMEYREUATQDC-UHFFFAOYSA-N -1 3 368.357 -0.327 20 0 FBADHM Cn1cc(N2CC[C@@H](OC(=O)c3ccc(-c4nn[n-]n4)cn3)C2=O)cn1 ZINC000737610657 598723351 /nfs/dbraw/zinc/72/33/51/598723351.db2.gz PVUCFSFDKZHVLF-GFCCVEGCSA-N -1 3 354.330 -0.043 20 0 FBADHM Cn1cc(N2CC[C@@H](OC(=O)c3ccc(-c4nnn[n-]4)cn3)C2=O)cn1 ZINC000737610657 598723349 /nfs/dbraw/zinc/72/33/49/598723349.db2.gz PVUCFSFDKZHVLF-GFCCVEGCSA-N -1 3 354.330 -0.043 20 0 FBADHM Cn1cc(N2CC[C@H](OC(=O)c3ccc(-c4nn[n-]n4)cn3)C2=O)cn1 ZINC000737610659 598723439 /nfs/dbraw/zinc/72/34/39/598723439.db2.gz PVUCFSFDKZHVLF-LBPRGKRZSA-N -1 3 354.330 -0.043 20 0 FBADHM Cn1cc(N2CC[C@H](OC(=O)c3ccc(-c4nnn[n-]4)cn3)C2=O)cn1 ZINC000737610659 598723438 /nfs/dbraw/zinc/72/34/38/598723438.db2.gz PVUCFSFDKZHVLF-LBPRGKRZSA-N -1 3 354.330 -0.043 20 0 FBADHM Cn1ccc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC000737611001 599509729 /nfs/dbraw/zinc/50/97/29/599509729.db2.gz CUFUDDRMLUYGJB-UHFFFAOYSA-N -1 3 356.350 -0.838 20 0 FBADHM Cn1ccc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC000737611001 599509727 /nfs/dbraw/zinc/50/97/27/599509727.db2.gz CUFUDDRMLUYGJB-UHFFFAOYSA-N -1 3 356.350 -0.838 20 0 FBADHM Cn1cccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000737611099 599014352 /nfs/dbraw/zinc/01/43/52/599014352.db2.gz CWNGFHZWMCOXCG-UHFFFAOYSA-N -1 3 353.342 -0.066 20 0 FBADHM Cn1cccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000737611099 599014350 /nfs/dbraw/zinc/01/43/50/599014350.db2.gz CWNGFHZWMCOXCG-UHFFFAOYSA-N -1 3 353.342 -0.066 20 0 FBADHM Cn1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1=O ZINC000737611788 599121294 /nfs/dbraw/zinc/12/12/94/599121294.db2.gz HLYXNBZQTZXJBT-CYBMUJFWSA-N -1 3 354.326 -0.051 20 0 FBADHM Cn1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1=O ZINC000737611788 599121293 /nfs/dbraw/zinc/12/12/93/599121293.db2.gz HLYXNBZQTZXJBT-CYBMUJFWSA-N -1 3 354.326 -0.051 20 0 FBADHM Cn1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1=O ZINC000737611789 599121160 /nfs/dbraw/zinc/12/11/60/599121160.db2.gz HLYXNBZQTZXJBT-ZDUSSCGKSA-N -1 3 354.326 -0.051 20 0 FBADHM Cn1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1=O ZINC000737611789 599121159 /nfs/dbraw/zinc/12/11/59/599121159.db2.gz HLYXNBZQTZXJBT-ZDUSSCGKSA-N -1 3 354.326 -0.051 20 0 FBADHM Cn1cccc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1=O ZINC000737611987 598815067 /nfs/dbraw/zinc/81/50/67/598815067.db2.gz GENJRAXZYXBUBI-UHFFFAOYSA-N -1 3 366.385 -0.077 20 0 FBADHM Cn1cccc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1=O ZINC000737611987 598815066 /nfs/dbraw/zinc/81/50/66/598815066.db2.gz GENJRAXZYXBUBI-UHFFFAOYSA-N -1 3 366.385 -0.077 20 0 FBADHM Cn1cccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1=O ZINC000737611992 598259344 /nfs/dbraw/zinc/25/93/44/598259344.db2.gz GIWTYWLIXLESIP-UHFFFAOYSA-N -1 3 366.385 -0.077 20 0 FBADHM Cn1cccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1=O ZINC000737611992 598259341 /nfs/dbraw/zinc/25/93/41/598259341.db2.gz GIWTYWLIXLESIP-UHFFFAOYSA-N -1 3 366.385 -0.077 20 0 FBADHM Cn1cccc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1=O ZINC000737612063 598815264 /nfs/dbraw/zinc/81/52/64/598815264.db2.gz HVNBHGYSLUHDLR-UHFFFAOYSA-N -1 3 366.385 -0.077 20 0 FBADHM Cn1cccc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1=O ZINC000737612063 598815262 /nfs/dbraw/zinc/81/52/62/598815262.db2.gz HVNBHGYSLUHDLR-UHFFFAOYSA-N -1 3 366.385 -0.077 20 0 FBADHM Cn1cc(NC(=O)/C=C/c2ccccc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000737612375 598913968 /nfs/dbraw/zinc/91/39/68/598913968.db2.gz YNLJIWDICPZXBB-BQYQJAHWSA-N -1 3 353.342 -0.084 20 0 FBADHM Cn1cc(NC(=O)/C=C\c2ccccc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000737612377 598913807 /nfs/dbraw/zinc/91/38/07/598913807.db2.gz YNLJIWDICPZXBB-FPLPWBNLSA-N -1 3 353.342 -0.084 20 0 FBADHM Cn1ccc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000737612417 599507452 /nfs/dbraw/zinc/50/74/52/599507452.db2.gz JPJAREHRZGCGLD-UHFFFAOYSA-N -1 3 356.350 -0.838 20 0 FBADHM Cn1ccc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000737612417 599507450 /nfs/dbraw/zinc/50/74/50/599507450.db2.gz JPJAREHRZGCGLD-UHFFFAOYSA-N -1 3 356.350 -0.838 20 0 FBADHM Cn1ccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)C2=O)n1 ZINC000737614414 599235068 /nfs/dbraw/zinc/23/50/68/599235068.db2.gz WYRAIEQXWQUGLF-GFCCVEGCSA-N -1 3 367.373 -0.079 20 0 FBADHM Cn1ccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)C2=O)n1 ZINC000737614414 599235067 /nfs/dbraw/zinc/23/50/67/599235067.db2.gz WYRAIEQXWQUGLF-GFCCVEGCSA-N -1 3 367.373 -0.079 20 0 FBADHM Cn1ccc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)C2=O)n1 ZINC000737614418 599235118 /nfs/dbraw/zinc/23/51/18/599235118.db2.gz WYRAIEQXWQUGLF-LBPRGKRZSA-N -1 3 367.373 -0.079 20 0 FBADHM Cn1ccc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)C2=O)n1 ZINC000737614418 599235115 /nfs/dbraw/zinc/23/51/15/599235115.db2.gz WYRAIEQXWQUGLF-LBPRGKRZSA-N -1 3 367.373 -0.079 20 0 FBADHM Cn1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000737614544 599130166 /nfs/dbraw/zinc/13/01/66/599130166.db2.gz VNNYAKBLBYQDSY-GFCCVEGCSA-N -1 3 354.326 -0.051 20 0 FBADHM Cn1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000737614544 599130163 /nfs/dbraw/zinc/13/01/63/599130163.db2.gz VNNYAKBLBYQDSY-GFCCVEGCSA-N -1 3 354.326 -0.051 20 0 FBADHM Cn1cccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000737614546 599130097 /nfs/dbraw/zinc/13/00/97/599130097.db2.gz VNNYAKBLBYQDSY-LBPRGKRZSA-N -1 3 354.326 -0.051 20 0 FBADHM Cn1cccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000737614546 599130093 /nfs/dbraw/zinc/13/00/93/599130093.db2.gz VNNYAKBLBYQDSY-LBPRGKRZSA-N -1 3 354.326 -0.051 20 0 FBADHM Cn1ccnc1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737614971 598465205 /nfs/dbraw/zinc/46/52/05/598465205.db2.gz CUVHRFBZCGWFEE-UHFFFAOYSA-N -1 3 353.390 -0.047 20 0 FBADHM Cn1ccnc1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737614971 598465203 /nfs/dbraw/zinc/46/52/03/598465203.db2.gz CUVHRFBZCGWFEE-UHFFFAOYSA-N -1 3 353.390 -0.047 20 0 FBADHM Cn1cnc2c1CCN(C(=O)CNC(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737617824 598406353 /nfs/dbraw/zinc/40/63/53/598406353.db2.gz CIQSTHRNSNFWBB-UHFFFAOYSA-N -1 3 366.385 -0.085 20 0 FBADHM Cn1cnc2c1CCN(C(=O)CNC(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000737617824 598406351 /nfs/dbraw/zinc/40/63/51/598406351.db2.gz CIQSTHRNSNFWBB-UHFFFAOYSA-N -1 3 366.385 -0.085 20 0 FBADHM Cn1nnc2cc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)ccc21 ZINC000737625819 598294995 /nfs/dbraw/zinc/29/49/95/598294995.db2.gz CMXGIMGSPRLAEJ-UHFFFAOYSA-N -1 3 354.334 -0.216 20 0 FBADHM Cn1nnc2cc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)ccc21 ZINC000737625819 598294993 /nfs/dbraw/zinc/29/49/93/598294993.db2.gz CMXGIMGSPRLAEJ-UHFFFAOYSA-N -1 3 354.334 -0.216 20 0 FBADHM Cn1nnnc1COC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737629045 598844194 /nfs/dbraw/zinc/84/41/94/598844194.db2.gz ZUACMASGURIGDR-UHFFFAOYSA-N -1 3 367.333 -0.485 20 0 FBADHM Cn1nnnc1COC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737629045 598844193 /nfs/dbraw/zinc/84/41/93/598844193.db2.gz ZUACMASGURIGDR-UHFFFAOYSA-N -1 3 367.333 -0.485 20 0 FBADHM Cn1ncc2c1ncn(CC(=O)Nc1ccc(-c3nn[n-]n3)cn1)c2=O ZINC000737629436 598805166 /nfs/dbraw/zinc/80/51/66/598805166.db2.gz VCPGWHNBKLESMD-UHFFFAOYSA-N -1 3 352.318 -0.656 20 0 FBADHM Cn1ncc2c1ncn(CC(=O)Nc1ccc(-c3nnn[n-]3)cn1)c2=O ZINC000737629436 598805165 /nfs/dbraw/zinc/80/51/65/598805165.db2.gz VCPGWHNBKLESMD-UHFFFAOYSA-N -1 3 352.318 -0.656 20 0 FBADHM Cn1ncnc1CN1C(=O)N[C@@](C)(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737629598 599112145 /nfs/dbraw/zinc/11/21/45/599112145.db2.gz YFXVANJKHQMEHG-HNNXBMFYSA-N -1 3 353.346 -0.038 20 0 FBADHM Cn1ncnc1CN1C(=O)N[C@@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737629598 599112144 /nfs/dbraw/zinc/11/21/44/599112144.db2.gz YFXVANJKHQMEHG-HNNXBMFYSA-N -1 3 353.346 -0.038 20 0 FBADHM Cn1ncnc1CN1C(=O)N[C@](C)(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737629602 599112102 /nfs/dbraw/zinc/11/21/02/599112102.db2.gz YFXVANJKHQMEHG-OAHLLOKOSA-N -1 3 353.346 -0.038 20 0 FBADHM Cn1ncnc1CN1C(=O)N[C@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737629602 599112100 /nfs/dbraw/zinc/11/21/00/599112100.db2.gz YFXVANJKHQMEHG-OAHLLOKOSA-N -1 3 353.346 -0.038 20 0 FBADHM NC(=O)[C@@H](NCC(=O)NCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737730342 599089585 /nfs/dbraw/zinc/08/95/85/599089585.db2.gz JKTMIJAGHDGRDE-AWEZNQCLSA-N -1 3 355.358 -0.108 20 0 FBADHM NC(=O)[C@@H](NCC(=O)NCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737730342 599089582 /nfs/dbraw/zinc/08/95/82/599089582.db2.gz JKTMIJAGHDGRDE-AWEZNQCLSA-N -1 3 355.358 -0.108 20 0 FBADHM NC(=O)[C@H](NCC(=O)NCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737730344 599089082 /nfs/dbraw/zinc/08/90/82/599089082.db2.gz JKTMIJAGHDGRDE-CQSZACIVSA-N -1 3 355.358 -0.108 20 0 FBADHM NC(=O)[C@H](NCC(=O)NCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737730344 599089080 /nfs/dbraw/zinc/08/90/80/599089080.db2.gz JKTMIJAGHDGRDE-CQSZACIVSA-N -1 3 355.358 -0.108 20 0 FBADHM NC(=O)[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737731100 599091678 /nfs/dbraw/zinc/09/16/78/599091678.db2.gz OSQMILLPGYSQRB-JTQLQIEISA-N -1 3 357.296 -0.339 20 0 FBADHM NC(=O)[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737731100 599091676 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FBADHM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737743821 598481088 /nfs/dbraw/zinc/48/10/88/598481088.db2.gz KFWDGWLXBJCNTP-NSHDSACASA-N -1 3 359.346 -0.715 20 0 FBADHM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737743821 598481086 /nfs/dbraw/zinc/48/10/86/598481086.db2.gz KFWDGWLXBJCNTP-NSHDSACASA-N -1 3 359.346 -0.715 20 0 FBADHM NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737744563 598867443 /nfs/dbraw/zinc/86/74/43/598867443.db2.gz MBVIHFMNLRNDDN-UHFFFAOYSA-N -1 3 354.367 -0.108 20 0 FBADHM NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737744563 598867441 /nfs/dbraw/zinc/86/74/41/598867441.db2.gz MBVIHFMNLRNDDN-UHFFFAOYSA-N -1 3 354.367 -0.108 20 0 FBADHM NC(=O)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1 ZINC000737745492 598931317 /nfs/dbraw/zinc/93/13/17/598931317.db2.gz OUVRYCDOGSQVQQ-UHFFFAOYSA-N -1 3 369.389 -0.441 20 0 FBADHM NC(=O)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1 ZINC000737745492 598931315 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FBADHM NC(=O)[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737747673 598400597 /nfs/dbraw/zinc/40/05/97/598400597.db2.gz WHGCASZHIWQVMW-GFCCVEGCSA-N -1 3 357.374 -0.537 20 0 FBADHM NC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737747676 598400468 /nfs/dbraw/zinc/40/04/68/598400468.db2.gz WHGCASZHIWQVMW-LBPRGKRZSA-N -1 3 357.374 -0.537 20 0 FBADHM NC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737747676 598400467 /nfs/dbraw/zinc/40/04/67/598400467.db2.gz WHGCASZHIWQVMW-LBPRGKRZSA-N -1 3 357.374 -0.537 20 0 FBADHM NC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737747742 598637494 /nfs/dbraw/zinc/63/74/94/598637494.db2.gz XBDNPNQYZRVROO-UHFFFAOYSA-N -1 3 361.337 -0.332 20 0 FBADHM NC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737747742 598637493 /nfs/dbraw/zinc/63/74/93/598637493.db2.gz XBDNPNQYZRVROO-UHFFFAOYSA-N -1 3 361.337 -0.332 20 0 FBADHM NC(=O)CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000737748918 598635470 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/nfs/dbraw/zinc/91/75/04/598917504.db2.gz CEWBZXJHZAVDCG-LBPRGKRZSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737763369 598917503 /nfs/dbraw/zinc/91/75/03/598917503.db2.gz CEWBZXJHZAVDCG-LBPRGKRZSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763372 598926463 /nfs/dbraw/zinc/92/64/63/598926463.db2.gz CFSISJJHSWFUPU-GFCCVEGCSA-N -1 3 366.403 -0.475 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763376 598926110 /nfs/dbraw/zinc/92/61/10/598926110.db2.gz CFSISJJHSWFUPU-LBPRGKRZSA-N -1 3 366.403 -0.475 20 0 FBADHM NC(CN1CCOCC1)=NOCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737763785 598700367 /nfs/dbraw/zinc/70/03/67/598700367.db2.gz HRXSYJXWVGMLGU-UHFFFAOYSA-N -1 3 374.405 -0.686 20 0 FBADHM NC(CN1CCOCC1)=NOCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737763785 598700365 /nfs/dbraw/zinc/70/03/65/598700365.db2.gz HRXSYJXWVGMLGU-UHFFFAOYSA-N -1 3 374.405 -0.686 20 0 FBADHM NS(=O)(=O)NC[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000737763940 598941947 /nfs/dbraw/zinc/94/19/47/598941947.db2.gz BXLOCFPVICOIBP-MRVPVSSYSA-N -1 3 372.842 -0.075 20 0 FBADHM NS(=O)(=O)NC[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000737763940 598941944 /nfs/dbraw/zinc/94/19/44/598941944.db2.gz BXLOCFPVICOIBP-MRVPVSSYSA-N -1 3 372.842 -0.075 20 0 FBADHM NS(=O)(=O)NC[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000737763942 598941742 /nfs/dbraw/zinc/94/17/42/598941742.db2.gz BXLOCFPVICOIBP-QMMMGPOBSA-N -1 3 372.842 -0.075 20 0 FBADHM NS(=O)(=O)NC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000737763942 598941741 /nfs/dbraw/zinc/94/17/41/598941741.db2.gz BXLOCFPVICOIBP-QMMMGPOBSA-N -1 3 372.842 -0.075 20 0 FBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737764072 598847477 /nfs/dbraw/zinc/84/74/77/598847477.db2.gz DMJWBSPVTWJLIF-JTQLQIEISA-N -1 3 365.419 -0.488 20 0 FBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737764072 598847475 /nfs/dbraw/zinc/84/74/75/598847475.db2.gz DMJWBSPVTWJLIF-JTQLQIEISA-N -1 3 365.419 -0.488 20 0 FBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737764078 598847647 /nfs/dbraw/zinc/84/76/47/598847647.db2.gz DMJWBSPVTWJLIF-SNVBAGLBSA-N -1 3 365.419 -0.488 20 0 FBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737764078 598847645 /nfs/dbraw/zinc/84/76/45/598847645.db2.gz DMJWBSPVTWJLIF-SNVBAGLBSA-N -1 3 365.419 -0.488 20 0 FBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764081 598847763 /nfs/dbraw/zinc/84/77/63/598847763.db2.gz DMNDDVVAEIPOND-JTQLQIEISA-N -1 3 365.419 -0.488 20 0 FBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737764081 598847761 /nfs/dbraw/zinc/84/77/61/598847761.db2.gz DMNDDVVAEIPOND-JTQLQIEISA-N -1 3 365.419 -0.488 20 0 FBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764083 598847514 /nfs/dbraw/zinc/84/75/14/598847514.db2.gz DMNDDVVAEIPOND-SNVBAGLBSA-N -1 3 365.419 -0.488 20 0 FBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737764083 598847513 /nfs/dbraw/zinc/84/75/13/598847513.db2.gz DMNDDVVAEIPOND-SNVBAGLBSA-N -1 3 365.419 -0.488 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737764218 598912167 /nfs/dbraw/zinc/91/21/67/598912167.db2.gz HZUUYDHGZUVQLD-GFCCVEGCSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737764219 598911840 /nfs/dbraw/zinc/91/18/40/598911840.db2.gz HZUUYDHGZUVQLD-LBPRGKRZSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)C1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737764237 598568537 /nfs/dbraw/zinc/56/85/37/598568537.db2.gz IVQONEZLCDTOHI-UHFFFAOYSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)C1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737764237 598568536 /nfs/dbraw/zinc/56/85/36/598568536.db2.gz IVQONEZLCDTOHI-UHFFFAOYSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)s1 ZINC000737764487 598439118 /nfs/dbraw/zinc/43/91/18/598439118.db2.gz IDBNTBBZASAJDH-UHFFFAOYSA-N -1 3 365.400 -0.099 20 0 FBADHM NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)s1 ZINC000737764487 598439117 /nfs/dbraw/zinc/43/91/17/598439117.db2.gz IDBNTBBZASAJDH-UHFFFAOYSA-N -1 3 365.400 -0.099 20 0 FBADHM NS(=O)(=O)CCCN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737764491 598246750 /nfs/dbraw/zinc/24/67/50/598246750.db2.gz IEYCSMKJWFGMSM-UHFFFAOYSA-N -1 3 369.426 -0.194 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737764556 598895078 /nfs/dbraw/zinc/89/50/78/598895078.db2.gz MHSZFPOWVPVJMO-LLVKDONJSA-N -1 3 366.403 -0.475 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737764559 598894904 /nfs/dbraw/zinc/89/49/04/598894904.db2.gz MHSZFPOWVPVJMO-NSHDSACASA-N -1 3 366.403 -0.475 20 0 FBADHM NS(=O)(=O)CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737764606 598605273 /nfs/dbraw/zinc/60/52/73/598605273.db2.gz JSDKRFQLWLAJNI-GFCCVEGCSA-N -1 3 365.419 -0.760 20 0 FBADHM NS(=O)(=O)CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737764610 598605123 /nfs/dbraw/zinc/60/51/23/598605123.db2.gz JSDKRFQLWLAJNI-LBPRGKRZSA-N -1 3 365.419 -0.760 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737764641 598926253 /nfs/dbraw/zinc/92/62/53/598926253.db2.gz MQRFMPDPBJJURZ-GFCCVEGCSA-N -1 3 366.403 -0.475 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737764641 598926251 /nfs/dbraw/zinc/92/62/51/598926251.db2.gz MQRFMPDPBJJURZ-GFCCVEGCSA-N -1 3 366.403 -0.475 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737764644 598926108 /nfs/dbraw/zinc/92/61/08/598926108.db2.gz MQRFMPDPBJJURZ-LBPRGKRZSA-N -1 3 366.403 -0.475 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737764644 598926107 /nfs/dbraw/zinc/92/61/07/598926107.db2.gz MQRFMPDPBJJURZ-LBPRGKRZSA-N -1 3 366.403 -0.475 20 0 FBADHM NC(Cn1cccn1)=NOCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737764667 598872019 /nfs/dbraw/zinc/87/20/19/598872019.db2.gz MVFFDOVCTNOFBB-UHFFFAOYSA-N -1 3 355.362 -0.122 20 0 FBADHM NC(Cn1cccn1)=NOCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737764667 598872018 /nfs/dbraw/zinc/87/20/18/598872018.db2.gz MVFFDOVCTNOFBB-UHFFFAOYSA-N -1 3 355.362 -0.122 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764690 598931474 /nfs/dbraw/zinc/93/14/74/598931474.db2.gz NDJJBQJECIHTSX-GFCCVEGCSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764692 598931587 /nfs/dbraw/zinc/93/15/87/598931587.db2.gz NDJJBQJECIHTSX-LBPRGKRZSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764734 598755321 /nfs/dbraw/zinc/75/53/21/598755321.db2.gz OCFHWHFCOPBSNX-LLVKDONJSA-N -1 3 351.392 -0.832 20 0 FBADHM NS(=O)(=O)[C@H]1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764736 598755308 /nfs/dbraw/zinc/75/53/08/598755308.db2.gz OCFHWHFCOPBSNX-NSHDSACASA-N -1 3 351.392 -0.832 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737764739 598899751 /nfs/dbraw/zinc/89/97/51/598899751.db2.gz OCVWOMMBAKLEFI-MRVPVSSYSA-N -1 3 371.448 -0.380 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000737764739 598899750 /nfs/dbraw/zinc/89/97/50/598899750.db2.gz OCVWOMMBAKLEFI-MRVPVSSYSA-N -1 3 371.448 -0.380 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737764740 598899569 /nfs/dbraw/zinc/89/95/69/598899569.db2.gz OCVWOMMBAKLEFI-QMMMGPOBSA-N -1 3 371.448 -0.380 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000737764740 598899566 /nfs/dbraw/zinc/89/95/66/598899566.db2.gz OCVWOMMBAKLEFI-QMMMGPOBSA-N -1 3 371.448 -0.380 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737764764 598912071 /nfs/dbraw/zinc/91/20/71/598912071.db2.gz OQODJNMCEJRVQM-GFCCVEGCSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737764764 598912070 /nfs/dbraw/zinc/91/20/70/598912070.db2.gz OQODJNMCEJRVQM-GFCCVEGCSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737764766 598911938 /nfs/dbraw/zinc/91/19/38/598911938.db2.gz OQODJNMCEJRVQM-LBPRGKRZSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737764766 598911937 /nfs/dbraw/zinc/91/19/37/598911937.db2.gz OQODJNMCEJRVQM-LBPRGKRZSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737764776 598899562 /nfs/dbraw/zinc/89/95/62/598899562.db2.gz OYAJYUGOOMARNG-GFCCVEGCSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737764776 598899561 /nfs/dbraw/zinc/89/95/61/598899561.db2.gz OYAJYUGOOMARNG-GFCCVEGCSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737764778 598899626 /nfs/dbraw/zinc/89/96/26/598899626.db2.gz OYAJYUGOOMARNG-LBPRGKRZSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737764778 598899625 /nfs/dbraw/zinc/89/96/25/598899625.db2.gz OYAJYUGOOMARNG-LBPRGKRZSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)CCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737764989 598246676 /nfs/dbraw/zinc/24/66/76/598246676.db2.gz LLSSATGCXKCBQL-UHFFFAOYSA-N -1 3 352.424 -0.938 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737765018 598756551 /nfs/dbraw/zinc/75/65/51/598756551.db2.gz QPLMVEKYQUYUNW-GFCCVEGCSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737765018 598756549 /nfs/dbraw/zinc/75/65/49/598756549.db2.gz QPLMVEKYQUYUNW-GFCCVEGCSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)[C@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737765019 598756723 /nfs/dbraw/zinc/75/67/23/598756723.db2.gz QPLMVEKYQUYUNW-LBPRGKRZSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)[C@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737765019 598756721 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Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000737769637 598293402 /nfs/dbraw/zinc/29/34/02/598293402.db2.gz ANONZDWMZAZFKH-JTQLQIEISA-N -1 3 374.405 -0.020 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000737769637 598293401 /nfs/dbraw/zinc/29/34/01/598293401.db2.gz ANONZDWMZAZFKH-JTQLQIEISA-N -1 3 374.405 -0.020 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000737769638 598293044 /nfs/dbraw/zinc/29/30/44/598293044.db2.gz ANONZDWMZAZFKH-SNVBAGLBSA-N -1 3 374.405 -0.020 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000737769638 598293042 /nfs/dbraw/zinc/29/30/42/598293042.db2.gz ANONZDWMZAZFKH-SNVBAGLBSA-N -1 3 374.405 -0.020 20 0 FBADHM NS(=O)(=O)c1ccc(NCCN2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000737769936 598629942 /nfs/dbraw/zinc/62/99/42/598629942.db2.gz RNBYXYBOMFOJMQ-UHFFFAOYSA-N -1 3 353.408 -0.742 20 0 FBADHM NS(=O)(=O)c1ccc(NCCN2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000737769936 598629941 /nfs/dbraw/zinc/62/99/41/598629941.db2.gz RNBYXYBOMFOJMQ-UHFFFAOYSA-N -1 3 353.408 -0.742 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCCn1ccccc1=O ZINC000737770056 599220623 /nfs/dbraw/zinc/22/06/23/599220623.db2.gz GQTCUOLJAOCYHJ-UHFFFAOYSA-N -1 3 358.362 -0.169 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCCn1ccccc1=O ZINC000737770056 599220621 /nfs/dbraw/zinc/22/06/21/599220621.db2.gz GQTCUOLJAOCYHJ-UHFFFAOYSA-N -1 3 358.362 -0.169 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000737770113 598295114 /nfs/dbraw/zinc/29/51/14/598295114.db2.gz IOVVQCVJDQFKKS-LLVKDONJSA-N -1 3 374.405 -0.163 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000737770113 598295112 /nfs/dbraw/zinc/29/51/12/598295112.db2.gz IOVVQCVJDQFKKS-LLVKDONJSA-N -1 3 374.405 -0.163 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000737770114 598295132 /nfs/dbraw/zinc/29/51/32/598295132.db2.gz IOVVQCVJDQFKKS-NSHDSACASA-N -1 3 374.405 -0.163 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000737770114 598295130 /nfs/dbraw/zinc/29/51/30/598295130.db2.gz IOVVQCVJDQFKKS-NSHDSACASA-N -1 3 374.405 -0.163 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CN1CCCCCCC1=O ZINC000737770120 598603387 /nfs/dbraw/zinc/60/33/87/598603387.db2.gz IUKLCWAKFOJHKS-UHFFFAOYSA-N -1 3 362.394 -0.019 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CN1CCCCCCC1=O ZINC000737770120 598603386 /nfs/dbraw/zinc/60/33/86/598603386.db2.gz IUKLCWAKFOJHKS-UHFFFAOYSA-N -1 3 362.394 -0.019 20 0 FBADHM NS(=O)(=O)c1ccc(NCCCN2CCCC2=O)c(-c2nn[n-]n2)c1 ZINC000737770385 660535913 /nfs/dbraw/zinc/53/59/13/660535913.db2.gz VSUODAYKSXWXFJ-UHFFFAOYSA-N -1 3 365.419 -0.062 20 0 FBADHM NS(=O)(=O)c1ccc(NCCCN2CCCC2=O)c(-c2nnn[n-]2)c1 ZINC000737770385 660535911 /nfs/dbraw/zinc/53/59/11/660535911.db2.gz VSUODAYKSXWXFJ-UHFFFAOYSA-N -1 3 365.419 -0.062 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(N2CCCC2)nn1 ZINC000737770512 599362707 /nfs/dbraw/zinc/36/27/07/599362707.db2.gz KBNLBHFZRKTUFW-UHFFFAOYSA-N -1 3 370.377 -0.107 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(N2CCCC2)nn1 ZINC000737770512 599362705 /nfs/dbraw/zinc/36/27/05/599362705.db2.gz KBNLBHFZRKTUFW-UHFFFAOYSA-N -1 3 370.377 -0.107 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(-n2cnnn2)cc1 ZINC000737770591 598293645 /nfs/dbraw/zinc/29/36/45/598293645.db2.gz LWXVYSVMQJOHJX-UHFFFAOYSA-N -1 3 367.333 -0.522 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(-n2cnnn2)cc1 ZINC000737770591 598293643 /nfs/dbraw/zinc/29/36/43/598293643.db2.gz LWXVYSVMQJOHJX-UHFFFAOYSA-N -1 3 367.333 -0.522 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCC3(CC2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000737770742 598634430 /nfs/dbraw/zinc/63/44/30/598634430.db2.gz YBCVHZIKONQAQP-UHFFFAOYSA-N -1 3 366.403 -0.143 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCC3(CC2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000737770742 598634429 /nfs/dbraw/zinc/63/44/29/598634429.db2.gz YBCVHZIKONQAQP-UHFFFAOYSA-N -1 3 366.403 -0.143 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CN1Cc2ccccc2C1=O ZINC000737770934 598603309 /nfs/dbraw/zinc/60/33/09/598603309.db2.gz NKLXQCJCQXJHHX-UHFFFAOYSA-N -1 3 368.357 -0.155 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CN1Cc2ccccc2C1=O ZINC000737770934 598603308 /nfs/dbraw/zinc/60/33/08/598603308.db2.gz NKLXQCJCQXJHHX-UHFFFAOYSA-N -1 3 368.357 -0.155 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCNC(=O)c1ccco1 ZINC000737770993 598606337 /nfs/dbraw/zinc/60/63/37/598606337.db2.gz ONUJOCZYCCBOLI-UHFFFAOYSA-N -1 3 360.334 -0.398 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCNC(=O)c1ccco1 ZINC000737770993 598606336 /nfs/dbraw/zinc/60/63/36/598606336.db2.gz ONUJOCZYCCBOLI-UHFFFAOYSA-N -1 3 360.334 -0.398 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCOC[C@@H]1CCCO1 ZINC000737771553 598603205 /nfs/dbraw/zinc/60/32/05/598603205.db2.gz SKHQNNMQJBGSRG-JTQLQIEISA-N -1 3 351.367 -0.226 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCOC[C@@H]1CCCO1 ZINC000737771553 598603203 /nfs/dbraw/zinc/60/32/03/598603203.db2.gz SKHQNNMQJBGSRG-JTQLQIEISA-N -1 3 351.367 -0.226 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCOC[C@H]1CCCO1 ZINC000737771576 598603159 /nfs/dbraw/zinc/60/31/59/598603159.db2.gz SKHQNNMQJBGSRG-SNVBAGLBSA-N -1 3 351.367 -0.226 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCOC[C@H]1CCCO1 ZINC000737771576 598603157 /nfs/dbraw/zinc/60/31/57/598603157.db2.gz SKHQNNMQJBGSRG-SNVBAGLBSA-N -1 3 351.367 -0.226 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCCN1C(=O)CCC1=O ZINC000737771636 598601615 /nfs/dbraw/zinc/60/16/15/598601615.db2.gz SXNVUNSYACZHOG-UHFFFAOYSA-N -1 3 362.350 -0.882 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCCN1C(=O)CCC1=O ZINC000737771636 598601613 /nfs/dbraw/zinc/60/16/13/598601613.db2.gz SXNVUNSYACZHOG-UHFFFAOYSA-N -1 3 362.350 -0.882 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@]12CCC(=O)N1CCS2 ZINC000737772570 598605094 /nfs/dbraw/zinc/60/50/94/598605094.db2.gz ZSDMLMMLEBHUHF-CYBMUJFWSA-N -1 3 364.391 -0.746 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@]12CCC(=O)N1CCS2 ZINC000737772570 598605092 /nfs/dbraw/zinc/60/50/92/598605092.db2.gz ZSDMLMMLEBHUHF-CYBMUJFWSA-N -1 3 364.391 -0.746 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@]12CCC(=O)N1CCS2 ZINC000737772573 598605056 /nfs/dbraw/zinc/60/50/56/598605056.db2.gz ZSDMLMMLEBHUHF-ZDUSSCGKSA-N -1 3 364.391 -0.746 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@]12CCC(=O)N1CCS2 ZINC000737772573 598605055 /nfs/dbraw/zinc/60/50/55/598605055.db2.gz ZSDMLMMLEBHUHF-ZDUSSCGKSA-N -1 3 364.391 -0.746 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cccc(-n2cnnn2)c1 ZINC000737773074 598293929 /nfs/dbraw/zinc/29/39/29/598293929.db2.gz GQUXIWFVKYHTCX-UHFFFAOYSA-N -1 3 367.333 -0.522 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cccc(-n2cnnn2)c1 ZINC000737773074 598293928 /nfs/dbraw/zinc/29/39/28/598293928.db2.gz GQUXIWFVKYHTCX-UHFFFAOYSA-N -1 3 367.333 -0.522 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000737774479 598606509 /nfs/dbraw/zinc/60/65/09/598606509.db2.gz PPVQWHFDCZMASN-UHFFFAOYSA-N -1 3 370.329 -0.167 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000737774479 598606506 /nfs/dbraw/zinc/60/65/06/598606506.db2.gz PPVQWHFDCZMASN-UHFFFAOYSA-N -1 3 370.329 -0.167 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1sccc1-n1cnnn1 ZINC000737774564 598604948 /nfs/dbraw/zinc/60/49/48/598604948.db2.gz RSBGDBHYZDEOBC-UHFFFAOYSA-N -1 3 373.362 -0.460 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1sccc1-n1cnnn1 ZINC000737774564 598604947 /nfs/dbraw/zinc/60/49/47/598604947.db2.gz RSBGDBHYZDEOBC-UHFFFAOYSA-N -1 3 373.362 -0.460 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000737775044 598293614 /nfs/dbraw/zinc/29/36/14/598293614.db2.gz WUJKFSAVQPFUPJ-UHFFFAOYSA-N -1 3 370.329 -0.167 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000737775044 598293612 /nfs/dbraw/zinc/29/36/12/598293612.db2.gz WUJKFSAVQPFUPJ-UHFFFAOYSA-N -1 3 370.329 -0.167 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCNC(=O)CC2)cc1 ZINC000737775533 598437073 /nfs/dbraw/zinc/43/70/73/598437073.db2.gz ACGDHIHTLLQARY-UHFFFAOYSA-N -1 3 367.373 -0.403 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCNC(=O)CC2)cc1 ZINC000737775533 598437071 /nfs/dbraw/zinc/43/70/71/598437071.db2.gz ACGDHIHTLLQARY-UHFFFAOYSA-N -1 3 367.373 -0.403 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CCCNC2=O)cc1 ZINC000737775615 598436793 /nfs/dbraw/zinc/43/67/93/598436793.db2.gz DVXUIVOWPXFMLW-GFCCVEGCSA-N -1 3 367.373 -0.357 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CCCNC2=O)cc1 ZINC000737775615 598436791 /nfs/dbraw/zinc/43/67/91/598436791.db2.gz DVXUIVOWPXFMLW-GFCCVEGCSA-N -1 3 367.373 -0.357 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CCCNC2=O)cc1 ZINC000737775616 598436808 /nfs/dbraw/zinc/43/68/08/598436808.db2.gz DVXUIVOWPXFMLW-LBPRGKRZSA-N -1 3 367.373 -0.357 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CCCNC2=O)cc1 ZINC000737775616 598436807 /nfs/dbraw/zinc/43/68/07/598436807.db2.gz DVXUIVOWPXFMLW-LBPRGKRZSA-N -1 3 367.373 -0.357 20 0 FBADHM Nc1ncnc2c1ncn2CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737775797 598384853 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/nfs/dbraw/zinc/59/57/11/598595711.db2.gz AWLJEDPVABJMCC-JTQLQIEISA-N -1 3 353.408 -0.371 20 0 FBADHM O=S(=O)(C[C@@H]1CCOC1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000738316485 598595571 /nfs/dbraw/zinc/59/55/71/598595571.db2.gz AWLJEDPVABJMCC-SNVBAGLBSA-N -1 3 353.408 -0.371 20 0 FBADHM O=S(=O)(C[C@@H]1CCOC1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000738316485 598595568 /nfs/dbraw/zinc/59/55/68/598595568.db2.gz AWLJEDPVABJMCC-SNVBAGLBSA-N -1 3 353.408 -0.371 20 0 FBADHM O=S(=O)([C@@H]1CCOC1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738316881 599323309 /nfs/dbraw/zinc/32/33/09/599323309.db2.gz GJNKLDJEPOONKL-GFCCVEGCSA-N -1 3 365.419 -0.498 20 0 FBADHM O=S(=O)([C@@H]1CCOC1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738316881 599323307 /nfs/dbraw/zinc/32/33/07/599323307.db2.gz GJNKLDJEPOONKL-GFCCVEGCSA-N -1 3 365.419 -0.498 20 0 FBADHM O=S(=O)([C@H]1CCOC1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738316882 599325374 /nfs/dbraw/zinc/32/53/74/599325374.db2.gz GJNKLDJEPOONKL-LBPRGKRZSA-N -1 3 365.419 -0.498 20 0 FBADHM O=S(=O)([C@H]1CCOC1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738316882 599325372 /nfs/dbraw/zinc/32/53/72/599325372.db2.gz GJNKLDJEPOONKL-LBPRGKRZSA-N -1 3 365.419 -0.498 20 0 FBADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000738317164 599471495 /nfs/dbraw/zinc/47/14/95/599471495.db2.gz ZLUIWGQTJOYRSM-HNNXBMFYSA-N -1 3 357.330 -0.944 20 0 FBADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000738317164 599471493 /nfs/dbraw/zinc/47/14/93/599471493.db2.gz ZLUIWGQTJOYRSM-HNNXBMFYSA-N -1 3 357.330 -0.944 20 0 FBADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000738317167 599471571 /nfs/dbraw/zinc/47/15/71/599471571.db2.gz ZLUIWGQTJOYRSM-OAHLLOKOSA-N -1 3 357.330 -0.944 20 0 FBADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000738317167 599471568 /nfs/dbraw/zinc/47/15/68/599471568.db2.gz ZLUIWGQTJOYRSM-OAHLLOKOSA-N -1 3 357.330 -0.944 20 0 FBADHM O=C1OCCN1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738317639 598615094 /nfs/dbraw/zinc/61/50/94/598615094.db2.gz FAEOLTYEPDKDET-UHFFFAOYSA-N -1 3 352.376 -0.013 20 0 FBADHM O=C1OCCN1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738317639 598615093 /nfs/dbraw/zinc/61/50/93/598615093.db2.gz FAEOLTYEPDKDET-UHFFFAOYSA-N -1 3 352.376 -0.013 20 0 FBADHM O=S(=O)(C[C@H]1CCCO1)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000738317822 598264048 /nfs/dbraw/zinc/26/40/48/598264048.db2.gz MTYXWOQVCSUULD-LLVKDONJSA-N -1 3 353.408 -0.228 20 0 FBADHM O=S(=O)(C[C@H]1CCCO1)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000738317822 598264047 /nfs/dbraw/zinc/26/40/47/598264047.db2.gz MTYXWOQVCSUULD-LLVKDONJSA-N -1 3 353.408 -0.228 20 0 FBADHM O=S(=O)(C[C@@H]1CCCO1)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000738317823 598264069 /nfs/dbraw/zinc/26/40/69/598264069.db2.gz MTYXWOQVCSUULD-NSHDSACASA-N -1 3 353.408 -0.228 20 0 FBADHM O=S(=O)(C[C@@H]1CCCO1)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000738317823 598264068 /nfs/dbraw/zinc/26/40/68/598264068.db2.gz MTYXWOQVCSUULD-NSHDSACASA-N -1 3 353.408 -0.228 20 0 FBADHM O=S(=O)([C@@H]1CCOC1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738317863 599324622 /nfs/dbraw/zinc/32/46/22/599324622.db2.gz OAVGGKYCLOXKJZ-GFCCVEGCSA-N -1 3 365.419 -0.498 20 0 FBADHM O=S(=O)([C@@H]1CCOC1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738317863 599324619 /nfs/dbraw/zinc/32/46/19/599324619.db2.gz OAVGGKYCLOXKJZ-GFCCVEGCSA-N -1 3 365.419 -0.498 20 0 FBADHM O=S(=O)([C@H]1CCOC1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738317864 599324847 /nfs/dbraw/zinc/32/48/47/599324847.db2.gz OAVGGKYCLOXKJZ-LBPRGKRZSA-N -1 3 365.419 -0.498 20 0 FBADHM O=S(=O)([C@H]1CCOC1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738317864 599324845 /nfs/dbraw/zinc/32/48/45/599324845.db2.gz OAVGGKYCLOXKJZ-LBPRGKRZSA-N -1 3 365.419 -0.498 20 0 FBADHM O=S(=O)([C@@H]1CCOC1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738318238 599323362 /nfs/dbraw/zinc/32/33/62/599323362.db2.gz OZDMPONZUTXFSH-LLVKDONJSA-N -1 3 365.419 -0.498 20 0 FBADHM O=S(=O)([C@@H]1CCOC1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738318238 599323359 /nfs/dbraw/zinc/32/33/59/599323359.db2.gz OZDMPONZUTXFSH-LLVKDONJSA-N -1 3 365.419 -0.498 20 0 FBADHM O=S(=O)([C@H]1CCOC1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738318240 599322991 /nfs/dbraw/zinc/32/29/91/599322991.db2.gz OZDMPONZUTXFSH-NSHDSACASA-N -1 3 365.419 -0.498 20 0 FBADHM O=S(=O)([C@H]1CCOC1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738318240 599322989 /nfs/dbraw/zinc/32/29/89/599322989.db2.gz OZDMPONZUTXFSH-NSHDSACASA-N -1 3 365.419 -0.498 20 0 FBADHM O=S(=O)(C[C@@H]1CCCO1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000738319089 598269676 /nfs/dbraw/zinc/26/96/76/598269676.db2.gz RGNAZZYAVQJVEC-JTQLQIEISA-N -1 3 353.408 -0.228 20 0 FBADHM O=S(=O)(C[C@@H]1CCCO1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000738319089 598269675 /nfs/dbraw/zinc/26/96/75/598269675.db2.gz RGNAZZYAVQJVEC-JTQLQIEISA-N -1 3 353.408 -0.228 20 0 FBADHM O=S(=O)(C[C@H]1CCCO1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000738319090 598269330 /nfs/dbraw/zinc/26/93/30/598269330.db2.gz RGNAZZYAVQJVEC-SNVBAGLBSA-N -1 3 353.408 -0.228 20 0 FBADHM O=S(=O)(C[C@H]1CCCO1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000738319090 598269328 /nfs/dbraw/zinc/26/93/28/598269328.db2.gz RGNAZZYAVQJVEC-SNVBAGLBSA-N -1 3 353.408 -0.228 20 0 FBADHM O=S(=O)(C[C@H]1CCOC1)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000738320299 598595896 /nfs/dbraw/zinc/59/58/96/598595896.db2.gz WVDLRVSTSWRJGV-JTQLQIEISA-N -1 3 353.408 -0.371 20 0 FBADHM O=S(=O)(C[C@H]1CCOC1)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000738320299 598595894 /nfs/dbraw/zinc/59/58/94/598595894.db2.gz WVDLRVSTSWRJGV-JTQLQIEISA-N -1 3 353.408 -0.371 20 0 FBADHM O=S(=O)(C[C@@H]1CCOC1)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000738320303 598595755 /nfs/dbraw/zinc/59/57/55/598595755.db2.gz WVDLRVSTSWRJGV-SNVBAGLBSA-N -1 3 353.408 -0.371 20 0 FBADHM O=S(=O)(C[C@@H]1CCOC1)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000738320303 598595754 /nfs/dbraw/zinc/59/57/54/598595754.db2.gz WVDLRVSTSWRJGV-SNVBAGLBSA-N -1 3 353.408 -0.371 20 0 FBADHM O=C1OCCN1CCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738321723 598614776 /nfs/dbraw/zinc/61/47/76/598614776.db2.gz XCHZCWGYIRFUMO-UHFFFAOYSA-N -1 3 352.376 -0.013 20 0 FBADHM O=C1OCCN1CCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738321723 598614774 /nfs/dbraw/zinc/61/47/74/598614774.db2.gz XCHZCWGYIRFUMO-UHFFFAOYSA-N -1 3 352.376 -0.013 20 0 FBADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCc2ncnn2C1 ZINC000738328411 598836998 /nfs/dbraw/zinc/83/69/98/598836998.db2.gz ALIQLZMFOWPNPY-GFCCVEGCSA-N -1 3 360.403 -0.107 20 0 FBADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCc2ncnn2C1 ZINC000738328411 598836996 /nfs/dbraw/zinc/83/69/96/598836996.db2.gz ALIQLZMFOWPNPY-GFCCVEGCSA-N -1 3 360.403 -0.107 20 0 FBADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCc2ncnn2C1 ZINC000738328412 598836566 /nfs/dbraw/zinc/83/65/66/598836566.db2.gz ALIQLZMFOWPNPY-LBPRGKRZSA-N -1 3 360.403 -0.107 20 0 FBADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCc2ncnn2C1 ZINC000738328412 598836565 /nfs/dbraw/zinc/83/65/65/598836565.db2.gz ALIQLZMFOWPNPY-LBPRGKRZSA-N -1 3 360.403 -0.107 20 0 FBADHM O=S(=O)(CCNc1ncc(-c2nn[n-]n2)cc1Cl)N1CCOCC1 ZINC000738328784 598394167 /nfs/dbraw/zinc/39/41/67/598394167.db2.gz FFKSGDYSHQRARY-UHFFFAOYSA-N -1 3 373.826 -0.011 20 0 FBADHM O=S(=O)(CCNc1ncc(-c2nnn[n-]2)cc1Cl)N1CCOCC1 ZINC000738328784 598394166 /nfs/dbraw/zinc/39/41/66/598394166.db2.gz FFKSGDYSHQRARY-UHFFFAOYSA-N -1 3 373.826 -0.011 20 0 FBADHM O=S(=O)(NCCN1CCOCC1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738339615 598687726 /nfs/dbraw/zinc/68/77/26/598687726.db2.gz STFKWFJIBDCBBS-UHFFFAOYSA-N -1 3 356.383 -0.384 20 0 FBADHM O=S(=O)(NCCN1CCOCC1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738339615 598687724 /nfs/dbraw/zinc/68/77/24/598687724.db2.gz STFKWFJIBDCBBS-UHFFFAOYSA-N -1 3 356.383 -0.384 20 0 FBADHM O=S(=O)(NCCCn1cncn1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738340321 598690532 /nfs/dbraw/zinc/69/05/32/598690532.db2.gz YUZFYGUZQJDXCM-UHFFFAOYSA-N -1 3 352.355 -0.034 20 0 FBADHM O=S(=O)(NCCCn1cncn1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738340321 598690530 /nfs/dbraw/zinc/69/05/30/598690530.db2.gz YUZFYGUZQJDXCM-UHFFFAOYSA-N -1 3 352.355 -0.034 20 0 FBADHM O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341148 598301272 /nfs/dbraw/zinc/30/12/72/598301272.db2.gz BTPHGZQFPPZBNF-GHMZBOCLSA-N -1 3 365.419 -0.597 20 0 FBADHM O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341148 598301271 /nfs/dbraw/zinc/30/12/71/598301271.db2.gz BTPHGZQFPPZBNF-GHMZBOCLSA-N -1 3 365.419 -0.597 20 0 FBADHM O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341150 598301028 /nfs/dbraw/zinc/30/10/28/598301028.db2.gz BTPHGZQFPPZBNF-MNOVXSKESA-N -1 3 365.419 -0.597 20 0 FBADHM O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341150 598301026 /nfs/dbraw/zinc/30/10/26/598301026.db2.gz BTPHGZQFPPZBNF-MNOVXSKESA-N -1 3 365.419 -0.597 20 0 FBADHM O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341152 598300768 /nfs/dbraw/zinc/30/07/68/598300768.db2.gz BTPHGZQFPPZBNF-QWRGUYRKSA-N -1 3 365.419 -0.597 20 0 FBADHM O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341152 598300766 /nfs/dbraw/zinc/30/07/66/598300766.db2.gz BTPHGZQFPPZBNF-QWRGUYRKSA-N -1 3 365.419 -0.597 20 0 FBADHM O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341153 598300786 /nfs/dbraw/zinc/30/07/86/598300786.db2.gz BTPHGZQFPPZBNF-WDEREUQCSA-N -1 3 365.419 -0.597 20 0 FBADHM O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341153 598300784 /nfs/dbraw/zinc/30/07/84/598300784.db2.gz BTPHGZQFPPZBNF-WDEREUQCSA-N -1 3 365.419 -0.597 20 0 FBADHM O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738342340 598836645 /nfs/dbraw/zinc/83/66/45/598836645.db2.gz JWFNASYJHWAMAR-MRVPVSSYSA-N -1 3 364.366 -0.109 20 0 FBADHM O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738342340 598836642 /nfs/dbraw/zinc/83/66/42/598836642.db2.gz JWFNASYJHWAMAR-MRVPVSSYSA-N -1 3 364.366 -0.109 20 0 FBADHM O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738342343 598837056 /nfs/dbraw/zinc/83/70/56/598837056.db2.gz JWFNASYJHWAMAR-QMMMGPOBSA-N -1 3 364.366 -0.109 20 0 FBADHM O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738342343 598837055 /nfs/dbraw/zinc/83/70/55/598837055.db2.gz JWFNASYJHWAMAR-QMMMGPOBSA-N -1 3 364.366 -0.109 20 0 FBADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738347026 599303781 /nfs/dbraw/zinc/30/37/81/599303781.db2.gz CXTSPGUVFKCFGN-CYBMUJFWSA-N -1 3 364.431 -0.038 20 0 FBADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738347026 599303778 /nfs/dbraw/zinc/30/37/78/599303778.db2.gz CXTSPGUVFKCFGN-CYBMUJFWSA-N -1 3 364.431 -0.038 20 0 FBADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000738347027 599303860 /nfs/dbraw/zinc/30/38/60/599303860.db2.gz CXTSPGUVFKCFGN-ZDUSSCGKSA-N -1 3 364.431 -0.038 20 0 FBADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000738347027 599303858 /nfs/dbraw/zinc/30/38/58/599303858.db2.gz CXTSPGUVFKCFGN-ZDUSSCGKSA-N -1 3 364.431 -0.038 20 0 FBADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(CCCO)CC1 ZINC000738347249 598452252 /nfs/dbraw/zinc/45/22/52/598452252.db2.gz DIVCQCKOVCYKHM-UHFFFAOYSA-N -1 3 352.420 -0.445 20 0 FBADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(CCCO)CC1 ZINC000738347249 598452249 /nfs/dbraw/zinc/45/22/49/598452249.db2.gz DIVCQCKOVCYKHM-UHFFFAOYSA-N -1 3 352.420 -0.445 20 0 FBADHM O=S(=O)(c1c[nH]cn1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738347267 599481606 /nfs/dbraw/zinc/48/16/06/599481606.db2.gz DXNLZFZESMNSTL-UHFFFAOYSA-N -1 3 361.391 -0.504 20 0 FBADHM O=S(=O)(c1c[nH]cn1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738347267 599481603 /nfs/dbraw/zinc/48/16/03/599481603.db2.gz DXNLZFZESMNSTL-UHFFFAOYSA-N -1 3 361.391 -0.504 20 0 FBADHM O=S(=O)(c1c[nH]cn1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738347511 599481863 /nfs/dbraw/zinc/48/18/63/599481863.db2.gz JBMHKNBENPHSLO-UHFFFAOYSA-N -1 3 361.391 -0.504 20 0 FBADHM O=S(=O)(c1c[nH]cn1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738347511 599481861 /nfs/dbraw/zinc/48/18/61/599481861.db2.gz JBMHKNBENPHSLO-UHFFFAOYSA-N -1 3 361.391 -0.504 20 0 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FBADHM C=CC(=O)NCCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000819729278 607505049 /nfs/dbraw/zinc/50/50/49/607505049.db2.gz FXXFXBCVVCHIPM-UHFFFAOYSA-N -1 3 356.390 -0.397 20 0 FBADHM C=CC(=O)NCCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000819729278 607505048 /nfs/dbraw/zinc/50/50/48/607505048.db2.gz FXXFXBCVVCHIPM-UHFFFAOYSA-N -1 3 356.390 -0.397 20 0 FBADHM C=CC(=O)NCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000819729732 607507123 /nfs/dbraw/zinc/50/71/23/607507123.db2.gz LNQCAZQBYQNTSR-UHFFFAOYSA-N -1 3 356.390 -0.397 20 0 FBADHM C=CC(=O)NCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000819729732 607507120 /nfs/dbraw/zinc/50/71/20/607507120.db2.gz LNQCAZQBYQNTSR-UHFFFAOYSA-N -1 3 356.390 -0.397 20 0 FBADHM C=CC(=O)NCCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000819730057 607504877 /nfs/dbraw/zinc/50/48/77/607504877.db2.gz RGWKIWCUIPPVLE-UHFFFAOYSA-N -1 3 356.390 -0.397 20 0 FBADHM C=CC(=O)NCCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000819730057 607504876 /nfs/dbraw/zinc/50/48/76/607504876.db2.gz RGWKIWCUIPPVLE-UHFFFAOYSA-N -1 3 356.390 -0.397 20 0 FBADHM CC(=O)NCCN(Cc1cnc(N2CCN(C)CC2)nc1)[C@H](C)C(=O)[O-] ZINC000819780989 597704675 /nfs/dbraw/zinc/70/46/75/597704675.db2.gz OQBWWLAIPUQWDJ-CYBMUJFWSA-N -1 3 364.450 -0.360 20 0 FBADHM CC(=O)NCCN(Cc1cnc(N2CCN(C)CC2)nc1)[C@@H](C)C(=O)[O-] ZINC000819780992 597704624 /nfs/dbraw/zinc/70/46/24/597704624.db2.gz OQBWWLAIPUQWDJ-ZDUSSCGKSA-N -1 3 364.450 -0.360 20 0 FBADHM CC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819781980 607115391 /nfs/dbraw/zinc/11/53/91/607115391.db2.gz GLJVQZQMBJTHDK-SECBINFHSA-N -1 3 353.360 -0.334 20 0 FBADHM CC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819781980 607115388 /nfs/dbraw/zinc/11/53/88/607115388.db2.gz GLJVQZQMBJTHDK-SECBINFHSA-N -1 3 353.360 -0.334 20 0 FBADHM CC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819781981 607115368 /nfs/dbraw/zinc/11/53/68/607115368.db2.gz GLJVQZQMBJTHDK-VIFPVBQESA-N -1 3 353.360 -0.334 20 0 FBADHM CC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819781981 607115366 /nfs/dbraw/zinc/11/53/66/607115366.db2.gz GLJVQZQMBJTHDK-VIFPVBQESA-N -1 3 353.360 -0.334 20 0 FBADHM CC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819782899 607119129 /nfs/dbraw/zinc/11/91/29/607119129.db2.gz RDXLGRYBEQZBBP-SECBINFHSA-N -1 3 353.360 -0.334 20 0 FBADHM CC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819782899 607119127 /nfs/dbraw/zinc/11/91/27/607119127.db2.gz RDXLGRYBEQZBBP-SECBINFHSA-N -1 3 353.360 -0.334 20 0 FBADHM CC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819782900 607118971 /nfs/dbraw/zinc/11/89/71/607118971.db2.gz RDXLGRYBEQZBBP-VIFPVBQESA-N -1 3 353.360 -0.334 20 0 FBADHM CC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819782900 607118970 /nfs/dbraw/zinc/11/89/70/607118970.db2.gz RDXLGRYBEQZBBP-VIFPVBQESA-N -1 3 353.360 -0.334 20 0 FBADHM CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000819796080 599599022 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371.401 -0.324 20 0 FBADHM CC(=O)N1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC000819796309 606928886 /nfs/dbraw/zinc/92/88/86/606928886.db2.gz DQHMEBZKPUCLKV-LLVKDONJSA-N -1 3 373.421 -0.064 20 0 FBADHM CC(=O)N1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC000819796309 606928885 /nfs/dbraw/zinc/92/88/85/606928885.db2.gz DQHMEBZKPUCLKV-LLVKDONJSA-N -1 3 373.421 -0.064 20 0 FBADHM CC(=O)N1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC000819796310 606929136 /nfs/dbraw/zinc/92/91/36/606929136.db2.gz DQHMEBZKPUCLKV-NSHDSACASA-N -1 3 373.421 -0.064 20 0 FBADHM CC(=O)N1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC000819796310 606929135 /nfs/dbraw/zinc/92/91/35/606929135.db2.gz DQHMEBZKPUCLKV-NSHDSACASA-N -1 3 373.421 -0.064 20 0 FBADHM CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000819796372 607272752 /nfs/dbraw/zinc/27/27/52/607272752.db2.gz GRIVQLSVVVKTKW-UHFFFAOYSA-N -1 3 357.374 -0.196 20 0 FBADHM CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000819796372 607272751 /nfs/dbraw/zinc/27/27/51/607272751.db2.gz GRIVQLSVVVKTKW-UHFFFAOYSA-N -1 3 357.374 -0.196 20 0 FBADHM CC(=O)N1CCN(CCNC(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819796422 606525816 /nfs/dbraw/zinc/52/58/16/606525816.db2.gz IELUEBHYUVPKRH-UHFFFAOYSA-N -1 3 357.418 -0.311 20 0 FBADHM CC(=O)N1CCN(CCNC(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819796422 606525814 /nfs/dbraw/zinc/52/58/14/606525814.db2.gz IELUEBHYUVPKRH-UHFFFAOYSA-N -1 3 357.418 -0.311 20 0 FBADHM CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000819796698 607334017 /nfs/dbraw/zinc/33/40/17/607334017.db2.gz NISIAJIJWTVTND-UHFFFAOYSA-N -1 3 361.337 -0.365 20 0 FBADHM CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000819796698 607334016 /nfs/dbraw/zinc/33/40/16/607334016.db2.gz NISIAJIJWTVTND-UHFFFAOYSA-N -1 3 361.337 -0.365 20 0 FBADHM CC(=O)N1CCN([C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)CC1 ZINC000819796730 606481547 /nfs/dbraw/zinc/48/15/47/606481547.db2.gz OAGQSZQTBCDFKR-ABAIWWIYSA-N 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CC(=O)N1CCN([C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)CC1 ZINC000819796735 606481063 /nfs/dbraw/zinc/48/10/63/606481063.db2.gz OAGQSZQTBCDFKR-XHDPSFHLSA-N -1 3 372.433 -0.181 20 0 FBADHM CC(=O)N1CCN([C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)CC1 ZINC000819796735 606481061 /nfs/dbraw/zinc/48/10/61/606481061.db2.gz OAGQSZQTBCDFKR-XHDPSFHLSA-N -1 3 372.433 -0.181 20 0 FBADHM CC(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819796776 661070281 /nfs/dbraw/zinc/07/02/81/661070281.db2.gz OXDXMEOBTZFOPO-UHFFFAOYSA-N -1 3 364.431 -0.196 20 0 FBADHM CC(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819796776 661070278 /nfs/dbraw/zinc/07/02/78/661070278.db2.gz OXDXMEOBTZFOPO-UHFFFAOYSA-N -1 3 364.431 -0.196 20 0 FBADHM CC(=O)N1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC000819796784 606967482 /nfs/dbraw/zinc/96/74/82/606967482.db2.gz PCEIYTMTNDLAMQ-LLVKDONJSA-N -1 3 373.421 -0.064 20 0 FBADHM CC(=O)N1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC000819796784 606967480 /nfs/dbraw/zinc/96/74/80/606967480.db2.gz PCEIYTMTNDLAMQ-LLVKDONJSA-N -1 3 373.421 -0.064 20 0 FBADHM CC(=O)N1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000819796785 606967617 /nfs/dbraw/zinc/96/76/17/606967617.db2.gz PCEIYTMTNDLAMQ-NSHDSACASA-N -1 3 373.421 -0.064 20 0 FBADHM CC(=O)N1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000819796785 606967615 /nfs/dbraw/zinc/96/76/15/606967615.db2.gz PCEIYTMTNDLAMQ-NSHDSACASA-N -1 3 373.421 -0.064 20 0 FBADHM CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000819796794 606287041 /nfs/dbraw/zinc/28/70/41/606287041.db2.gz PFGBDWPMJVKIHL-UHFFFAOYSA-N -1 3 374.405 -0.984 20 0 FBADHM CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000819796794 606287039 /nfs/dbraw/zinc/28/70/39/606287039.db2.gz PFGBDWPMJVKIHL-UHFFFAOYSA-N -1 3 374.405 -0.984 20 0 FBADHM CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000819796940 606395738 /nfs/dbraw/zinc/39/57/38/606395738.db2.gz QXRZHNNKOAEEPM-UHFFFAOYSA-N -1 3 361.337 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ITAQFGOVQJKEOL-GXFFZTMASA-N -1 3 356.390 -0.097 20 0 FBADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000819876680 606522605 /nfs/dbraw/zinc/52/26/05/606522605.db2.gz ITAQFGOVQJKEOL-GXFFZTMASA-N -1 3 356.390 -0.097 20 0 FBADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN2C(=O)NC[C@H]2C1 ZINC000819876682 606522120 /nfs/dbraw/zinc/52/21/20/606522120.db2.gz ITAQFGOVQJKEOL-MFKMUULPSA-N -1 3 356.390 -0.097 20 0 FBADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN2C(=O)NC[C@H]2C1 ZINC000819876682 606522118 /nfs/dbraw/zinc/52/21/18/606522118.db2.gz ITAQFGOVQJKEOL-MFKMUULPSA-N -1 3 356.390 -0.097 20 0 FBADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000819876683 606522558 /nfs/dbraw/zinc/52/25/58/606522558.db2.gz ITAQFGOVQJKEOL-ZWNOBZJWSA-N -1 3 356.390 -0.097 20 0 FBADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000819876683 606522557 /nfs/dbraw/zinc/52/25/57/606522557.db2.gz ITAQFGOVQJKEOL-ZWNOBZJWSA-N -1 3 356.390 -0.097 20 0 FBADHM 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606394922 /nfs/dbraw/zinc/39/49/22/606394922.db2.gz NIRSWKYFDXQSOX-BXKDBHETSA-N -1 3 370.373 -0.570 20 0 FBADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000819877025 606394958 /nfs/dbraw/zinc/39/49/58/606394958.db2.gz NIRSWKYFDXQSOX-CABZTGNLSA-N -1 3 370.373 -0.570 20 0 FBADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000819877025 606394957 /nfs/dbraw/zinc/39/49/57/606394957.db2.gz NIRSWKYFDXQSOX-CABZTGNLSA-N -1 3 370.373 -0.570 20 0 FBADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000819877026 606394948 /nfs/dbraw/zinc/39/49/48/606394948.db2.gz NIRSWKYFDXQSOX-JOYOIKCWSA-N -1 3 370.373 -0.570 20 0 FBADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000819877026 606394947 /nfs/dbraw/zinc/39/49/47/606394947.db2.gz NIRSWKYFDXQSOX-JOYOIKCWSA-N -1 3 370.373 -0.570 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000819877027 606395162 /nfs/dbraw/zinc/39/51/62/606395162.db2.gz NIRSWKYFDXQSOX-SKDRFNHKSA-N -1 3 370.373 -0.570 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000819877027 606395160 /nfs/dbraw/zinc/39/51/60/606395160.db2.gz NIRSWKYFDXQSOX-SKDRFNHKSA-N -1 3 370.373 -0.570 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000819877216 606454839 /nfs/dbraw/zinc/45/48/39/606454839.db2.gz RDGARVVNVCTFAV-GHMZBOCLSA-N -1 3 356.390 -0.097 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000819877216 606454838 /nfs/dbraw/zinc/45/48/38/606454838.db2.gz RDGARVVNVCTFAV-GHMZBOCLSA-N -1 3 356.390 -0.097 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN2C(=O)NC[C@H]2C1 ZINC000819877217 606454825 /nfs/dbraw/zinc/45/48/25/606454825.db2.gz RDGARVVNVCTFAV-MNOVXSKESA-N -1 3 356.390 -0.097 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN2C(=O)NC[C@H]2C1 ZINC000819877217 606454824 /nfs/dbraw/zinc/45/48/24/606454824.db2.gz RDGARVVNVCTFAV-MNOVXSKESA-N -1 3 356.390 -0.097 20 0 FBADHM 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ZINC000819877326 607236383 /nfs/dbraw/zinc/23/63/83/607236383.db2.gz TXRRQIMABXXZNQ-BXKDBHETSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](S(N)(=O)=O)C1 ZINC000819877327 607236251 /nfs/dbraw/zinc/23/62/51/607236251.db2.gz TXRRQIMABXXZNQ-CABZTGNLSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](S(N)(=O)=O)C1 ZINC000819877327 607236250 /nfs/dbraw/zinc/23/62/50/607236250.db2.gz TXRRQIMABXXZNQ-CABZTGNLSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000819877328 607236400 /nfs/dbraw/zinc/23/64/00/607236400.db2.gz TXRRQIMABXXZNQ-JOYOIKCWSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000819877328 607236399 /nfs/dbraw/zinc/23/63/99/607236399.db2.gz TXRRQIMABXXZNQ-JOYOIKCWSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](S(N)(=O)=O)C1 ZINC000819877329 607236466 /nfs/dbraw/zinc/23/64/66/607236466.db2.gz TXRRQIMABXXZNQ-SKDRFNHKSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](S(N)(=O)=O)C1 ZINC000819877329 607236465 /nfs/dbraw/zinc/23/64/65/607236465.db2.gz TXRRQIMABXXZNQ-SKDRFNHKSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000819877414 607236393 /nfs/dbraw/zinc/23/63/93/607236393.db2.gz VOSPUTMRLCMTPE-NXEZZACHSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000819877414 607236392 /nfs/dbraw/zinc/23/63/92/607236392.db2.gz VOSPUTMRLCMTPE-NXEZZACHSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@H](S(N)(=O)=O)C1 ZINC000819877415 607236525 /nfs/dbraw/zinc/23/65/25/607236525.db2.gz VOSPUTMRLCMTPE-UWVGGRQHSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@H](S(N)(=O)=O)C1 ZINC000819877415 607236524 /nfs/dbraw/zinc/23/65/24/607236524.db2.gz VOSPUTMRLCMTPE-UWVGGRQHSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000819877416 607236499 /nfs/dbraw/zinc/23/64/99/607236499.db2.gz VOSPUTMRLCMTPE-VHSXEESVSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000819877416 607236498 /nfs/dbraw/zinc/23/64/98/607236498.db2.gz VOSPUTMRLCMTPE-VHSXEESVSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@H](S(N)(=O)=O)C1 ZINC000819877417 607236474 /nfs/dbraw/zinc/23/64/74/607236474.db2.gz VOSPUTMRLCMTPE-ZJUUUORDSA-N -1 3 365.419 -0.444 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@H](S(N)(=O)=O)C1 ZINC000819877417 607236473 /nfs/dbraw/zinc/23/64/73/607236473.db2.gz VOSPUTMRLCMTPE-ZJUUUORDSA-N -1 3 365.419 -0.444 20 0 FBADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)n1 ZINC000819886741 661070793 /nfs/dbraw/zinc/07/07/93/661070793.db2.gz BRIFLTSEKDCAEI-UHFFFAOYSA-N -1 3 359.433 -0.268 20 0 FBADHM 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C[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820281180 607348910 /nfs/dbraw/zinc/34/89/10/607348910.db2.gz TTYBECIXOPBQDN-BDAKNGLRSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820281180 607348907 /nfs/dbraw/zinc/34/89/07/607348907.db2.gz TTYBECIXOPBQDN-BDAKNGLRSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)CO ZINC000820281181 607362508 /nfs/dbraw/zinc/36/25/08/607362508.db2.gz TTYBECIXOPBQDN-DTWKUNHWSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)CO ZINC000820281181 607362506 /nfs/dbraw/zinc/36/25/06/607362506.db2.gz TTYBECIXOPBQDN-DTWKUNHWSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820281182 607362176 /nfs/dbraw/zinc/36/21/76/607362176.db2.gz TTYBECIXOPBQDN-IUCAKERBSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820281182 607362174 /nfs/dbraw/zinc/36/21/74/607362174.db2.gz TTYBECIXOPBQDN-IUCAKERBSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820281183 607349268 /nfs/dbraw/zinc/34/92/68/607349268.db2.gz TTYBECIXOPBQDN-RKDXNWHRSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820281183 607349266 /nfs/dbraw/zinc/34/92/66/607349266.db2.gz TTYBECIXOPBQDN-RKDXNWHRSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820287553 606634896 /nfs/dbraw/zinc/63/48/96/606634896.db2.gz NKUVUKJWCGKNNJ-BXUZGUMPSA-N -1 3 374.401 -0.093 20 0 FBADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820287553 606634895 /nfs/dbraw/zinc/63/48/95/606634895.db2.gz NKUVUKJWCGKNNJ-BXUZGUMPSA-N -1 3 374.401 -0.093 20 0 FBADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820287554 606635017 /nfs/dbraw/zinc/63/50/17/606635017.db2.gz NKUVUKJWCGKNNJ-FZMZJTMJSA-N -1 3 374.401 -0.093 20 0 FBADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820287554 606635016 /nfs/dbraw/zinc/63/50/16/606635016.db2.gz NKUVUKJWCGKNNJ-FZMZJTMJSA-N -1 3 374.401 -0.093 20 0 FBADHM C[C@H](CO[C@H]1CCOC1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820287555 606634838 /nfs/dbraw/zinc/63/48/38/606634838.db2.gz NKUVUKJWCGKNNJ-RISCZKNCSA-N -1 3 374.401 -0.093 20 0 FBADHM C[C@H](CO[C@H]1CCOC1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820287555 606634837 /nfs/dbraw/zinc/63/48/37/606634837.db2.gz NKUVUKJWCGKNNJ-RISCZKNCSA-N -1 3 374.401 -0.093 20 0 FBADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820287556 606634850 /nfs/dbraw/zinc/63/48/50/606634850.db2.gz NKUVUKJWCGKNNJ-SMDDNHRTSA-N -1 3 374.401 -0.093 20 0 FBADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820287556 606634849 /nfs/dbraw/zinc/63/48/49/606634849.db2.gz NKUVUKJWCGKNNJ-SMDDNHRTSA-N -1 3 374.401 -0.093 20 0 FBADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cn(CC(N)=O)nn1 ZINC000820292807 599624486 /nfs/dbraw/zinc/62/44/86/599624486.db2.gz HKQIGMPUOKMDQU-SECBINFHSA-N -1 3 372.345 -0.432 20 0 FBADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cn(CC(N)=O)nn1 ZINC000820292807 599624485 /nfs/dbraw/zinc/62/44/85/599624485.db2.gz HKQIGMPUOKMDQU-SECBINFHSA-N -1 3 372.345 -0.432 20 0 FBADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cn(CC(N)=O)nn1 ZINC000820292808 599624583 /nfs/dbraw/zinc/62/45/83/599624583.db2.gz HKQIGMPUOKMDQU-VIFPVBQESA-N -1 3 372.345 -0.432 20 0 FBADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cn(CC(N)=O)nn1 ZINC000820292808 599624582 /nfs/dbraw/zinc/62/45/82/599624582.db2.gz HKQIGMPUOKMDQU-VIFPVBQESA-N -1 3 372.345 -0.432 20 0 FBADHM C[C@H](CS(C)(=O)=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820293166 606121935 /nfs/dbraw/zinc/12/19/35/606121935.db2.gz HWSMSAYOBCQFIX-SECBINFHSA-N -1 3 353.408 -0.530 20 0 FBADHM C[C@H](CS(C)(=O)=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820293166 606121934 /nfs/dbraw/zinc/12/19/34/606121934.db2.gz HWSMSAYOBCQFIX-SECBINFHSA-N -1 3 353.408 -0.530 20 0 FBADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820293167 606122160 /nfs/dbraw/zinc/12/21/60/606122160.db2.gz HWSMSAYOBCQFIX-VIFPVBQESA-N -1 3 353.408 -0.530 20 0 FBADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820293167 606122158 /nfs/dbraw/zinc/12/21/58/606122158.db2.gz HWSMSAYOBCQFIX-VIFPVBQESA-N -1 3 353.408 -0.530 20 0 FBADHM C[C@@H](CS(C)(=O)=O)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820293834 599674656 /nfs/dbraw/zinc/67/46/56/599674656.db2.gz PIHMESDAURBZHP-JTQLQIEISA-N -1 3 368.419 -0.022 20 0 FBADHM C[C@H](CS(C)(=O)=O)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820293835 599674586 /nfs/dbraw/zinc/67/45/86/599674586.db2.gz PIHMESDAURBZHP-SNVBAGLBSA-N -1 3 368.419 -0.022 20 0 FBADHM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820293861 607338768 /nfs/dbraw/zinc/33/87/68/607338768.db2.gz PXQSKCVWGSTABU-SSDOTTSWSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820293861 607338767 /nfs/dbraw/zinc/33/87/67/607338767.db2.gz PXQSKCVWGSTABU-SSDOTTSWSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820293865 607338514 /nfs/dbraw/zinc/33/85/14/607338514.db2.gz PXQSKCVWGSTABU-ZETCQYMHSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820293865 607338512 /nfs/dbraw/zinc/33/85/12/607338512.db2.gz PXQSKCVWGSTABU-ZETCQYMHSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@H](CS(C)(=O)=O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820294024 606121834 /nfs/dbraw/zinc/12/18/34/606121834.db2.gz QIGSXEKAEMBNID-SECBINFHSA-N -1 3 353.408 -0.530 20 0 FBADHM C[C@H](CS(C)(=O)=O)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820294024 606121832 /nfs/dbraw/zinc/12/18/32/606121832.db2.gz QIGSXEKAEMBNID-SECBINFHSA-N -1 3 353.408 -0.530 20 0 FBADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820294026 606122058 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QMVBWLJRUUWEKS-KCJUWKMLSA-N -1 3 367.387 -0.383 20 0 FBADHM C[C@@H](CS(C)(=O)=O)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820294061 606130942 /nfs/dbraw/zinc/13/09/42/606130942.db2.gz QMVBWLJRUUWEKS-KWQFWETISA-N -1 3 367.387 -0.383 20 0 FBADHM C[C@@H](CS(C)(=O)=O)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820294061 606130941 /nfs/dbraw/zinc/13/09/41/606130941.db2.gz QMVBWLJRUUWEKS-KWQFWETISA-N -1 3 367.387 -0.383 20 0 FBADHM C[C@H](CS(C)(=O)=O)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820294063 606131230 /nfs/dbraw/zinc/13/12/30/606131230.db2.gz QMVBWLJRUUWEKS-LDYMZIIASA-N -1 3 367.387 -0.383 20 0 FBADHM C[C@H](CS(C)(=O)=O)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820294063 606131229 /nfs/dbraw/zinc/13/12/29/606131229.db2.gz QMVBWLJRUUWEKS-LDYMZIIASA-N -1 3 367.387 -0.383 20 0 FBADHM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820294536 606400473 /nfs/dbraw/zinc/40/04/73/606400473.db2.gz UHIBAZAJMIIGJJ-SSDOTTSWSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820294536 606400471 /nfs/dbraw/zinc/40/04/71/606400471.db2.gz UHIBAZAJMIIGJJ-SSDOTTSWSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820294538 606400895 /nfs/dbraw/zinc/40/08/95/606400895.db2.gz UHIBAZAJMIIGJJ-ZETCQYMHSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820294538 606400893 /nfs/dbraw/zinc/40/08/93/606400893.db2.gz UHIBAZAJMIIGJJ-ZETCQYMHSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820306664 607341309 /nfs/dbraw/zinc/34/13/09/607341309.db2.gz BLOIOLJGJCYMAK-MRVPVSSYSA-N -1 3 359.325 -0.259 20 0 FBADHM C[C@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820306664 607341307 /nfs/dbraw/zinc/34/13/07/607341307.db2.gz BLOIOLJGJCYMAK-MRVPVSSYSA-N -1 3 359.325 -0.259 20 0 FBADHM C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820306665 607341422 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20 0 FBADHM C[C@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820307902 606404023 /nfs/dbraw/zinc/40/40/23/606404023.db2.gz QWMSLVCMJSXADG-MRVPVSSYSA-N -1 3 359.325 -0.259 20 0 FBADHM C[C@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820307902 606404021 /nfs/dbraw/zinc/40/40/21/606404021.db2.gz QWMSLVCMJSXADG-MRVPVSSYSA-N -1 3 359.325 -0.259 20 0 FBADHM C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820307903 606404065 /nfs/dbraw/zinc/40/40/65/606404065.db2.gz QWMSLVCMJSXADG-QMMMGPOBSA-N -1 3 359.325 -0.259 20 0 FBADHM C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820307903 606404064 /nfs/dbraw/zinc/40/40/64/606404064.db2.gz QWMSLVCMJSXADG-QMMMGPOBSA-N -1 3 359.325 -0.259 20 0 FBADHM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CN(C)CCO1 ZINC000820314864 607292796 /nfs/dbraw/zinc/29/27/96/607292796.db2.gz LOGFDGQYBCQXIV-GWCFXTLKSA-N -1 3 359.390 -0.360 20 0 FBADHM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CN(C)CCO1 ZINC000820314865 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C[C@@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820446307 607224672 /nfs/dbraw/zinc/22/46/72/607224672.db2.gz UHZPWKCWXOMBIK-ZJUUUORDSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cn[nH]c1 ZINC000820447565 606994979 /nfs/dbraw/zinc/99/49/79/606994979.db2.gz ZRWFASAZPYTBRD-MRVPVSSYSA-N -1 3 362.375 -0.105 20 0 FBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cn[nH]c1 ZINC000820447565 606994978 /nfs/dbraw/zinc/99/49/78/606994978.db2.gz ZRWFASAZPYTBRD-MRVPVSSYSA-N -1 3 362.375 -0.105 20 0 FBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cn[nH]c1 ZINC000820447566 606995360 /nfs/dbraw/zinc/99/53/60/606995360.db2.gz ZRWFASAZPYTBRD-QMMMGPOBSA-N -1 3 362.375 -0.105 20 0 FBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cn[nH]c1 ZINC000820447566 606995359 /nfs/dbraw/zinc/99/53/59/606995359.db2.gz ZRWFASAZPYTBRD-QMMMGPOBSA-N -1 3 362.375 -0.105 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cn[nH]c1 ZINC000820449703 606995177 /nfs/dbraw/zinc/99/51/77/606995177.db2.gz AWQFOWCLGBMMQE-MRVPVSSYSA-N -1 3 362.375 -0.105 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cn[nH]c1 ZINC000820449703 606995175 /nfs/dbraw/zinc/99/51/75/606995175.db2.gz AWQFOWCLGBMMQE-MRVPVSSYSA-N -1 3 362.375 -0.105 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cn[nH]c1 ZINC000820449704 606995398 /nfs/dbraw/zinc/99/53/98/606995398.db2.gz AWQFOWCLGBMMQE-QMMMGPOBSA-N -1 3 362.375 -0.105 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cn[nH]c1 ZINC000820449704 606995397 /nfs/dbraw/zinc/99/53/97/606995397.db2.gz AWQFOWCLGBMMQE-QMMMGPOBSA-N -1 3 362.375 -0.105 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccs1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000820449761 607324136 /nfs/dbraw/zinc/32/41/36/607324136.db2.gz CBXDMRKKLHVKSW-LURJTMIESA-N -1 3 368.404 -0.286 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccs1)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000820449761 607324135 /nfs/dbraw/zinc/32/41/35/607324135.db2.gz CBXDMRKKLHVKSW-LURJTMIESA-N -1 3 368.404 -0.286 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000820449762 607323991 /nfs/dbraw/zinc/32/39/91/607323991.db2.gz CBXDMRKKLHVKSW-ZCFIWIBFSA-N -1 3 368.404 -0.286 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000820449762 607323990 /nfs/dbraw/zinc/32/39/90/607323990.db2.gz CBXDMRKKLHVKSW-ZCFIWIBFSA-N -1 3 368.404 -0.286 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(F)F ZINC000820449951 607052649 /nfs/dbraw/zinc/05/26/49/607052649.db2.gz FHTUABDUDKZHEA-SSDOTTSWSA-N -1 3 360.346 -0.085 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(F)F ZINC000820449951 607052647 /nfs/dbraw/zinc/05/26/47/607052647.db2.gz FHTUABDUDKZHEA-SSDOTTSWSA-N -1 3 360.346 -0.085 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(F)F ZINC000820449952 607053035 /nfs/dbraw/zinc/05/30/35/607053035.db2.gz FHTUABDUDKZHEA-ZETCQYMHSA-N -1 3 360.346 -0.085 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(F)F ZINC000820449952 607053034 /nfs/dbraw/zinc/05/30/34/607053034.db2.gz FHTUABDUDKZHEA-ZETCQYMHSA-N -1 3 360.346 -0.085 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCCCO ZINC000820449961 607120711 /nfs/dbraw/zinc/12/07/11/607120711.db2.gz FPACEMUWLWKWAD-JTQLQIEISA-N -1 3 369.403 -0.151 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCCCO ZINC000820449961 607120709 /nfs/dbraw/zinc/12/07/09/607120709.db2.gz FPACEMUWLWKWAD-JTQLQIEISA-N -1 3 369.403 -0.151 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCCCO ZINC000820449962 607120429 /nfs/dbraw/zinc/12/04/29/607120429.db2.gz FPACEMUWLWKWAD-SNVBAGLBSA-N -1 3 369.403 -0.151 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCCCO ZINC000820449962 607120428 /nfs/dbraw/zinc/12/04/28/607120428.db2.gz FPACEMUWLWKWAD-SNVBAGLBSA-N -1 3 369.403 -0.151 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCOC1 ZINC000820449963 607084382 /nfs/dbraw/zinc/08/43/82/607084382.db2.gz FPROBRUGPYTTBB-GXSJLCMTSA-N -1 3 367.387 -0.134 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCOC1 ZINC000820449963 607084380 /nfs/dbraw/zinc/08/43/80/607084380.db2.gz FPROBRUGPYTTBB-GXSJLCMTSA-N -1 3 367.387 -0.134 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CCOC1 ZINC000820449964 607084376 /nfs/dbraw/zinc/08/43/76/607084376.db2.gz FPROBRUGPYTTBB-KOLCDFICSA-N -1 3 367.387 -0.134 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CCOC1 ZINC000820449964 607084374 /nfs/dbraw/zinc/08/43/74/607084374.db2.gz FPROBRUGPYTTBB-KOLCDFICSA-N -1 3 367.387 -0.134 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCOC1 ZINC000820449965 607084346 /nfs/dbraw/zinc/08/43/46/607084346.db2.gz FPROBRUGPYTTBB-MWLCHTKSSA-N -1 3 367.387 -0.134 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCOC1 ZINC000820449965 607084345 /nfs/dbraw/zinc/08/43/45/607084345.db2.gz FPROBRUGPYTTBB-MWLCHTKSSA-N -1 3 367.387 -0.134 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CCOC1 ZINC000820449966 607084548 /nfs/dbraw/zinc/08/45/48/607084548.db2.gz FPROBRUGPYTTBB-ONGXEEELSA-N -1 3 367.387 -0.134 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CCOC1 ZINC000820449966 607084546 /nfs/dbraw/zinc/08/45/46/607084546.db2.gz FPROBRUGPYTTBB-ONGXEEELSA-N -1 3 367.387 -0.134 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)O ZINC000820450028 607051191 /nfs/dbraw/zinc/05/11/91/607051191.db2.gz FZOHIEGCNRELKM-SECBINFHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)O ZINC000820450028 607051189 /nfs/dbraw/zinc/05/11/89/607051189.db2.gz FZOHIEGCNRELKM-SECBINFHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)O ZINC000820450030 607051015 /nfs/dbraw/zinc/05/10/15/607051015.db2.gz FZOHIEGCNRELKM-VIFPVBQESA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)O ZINC000820450030 607051013 /nfs/dbraw/zinc/05/10/13/607051013.db2.gz FZOHIEGCNRELKM-VIFPVBQESA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc[nH]n1 ZINC000820450224 606998308 /nfs/dbraw/zinc/99/83/08/606998308.db2.gz IBIBVIFHSSWEQW-SSDOTTSWSA-N -1 3 363.363 -0.710 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc[nH]n1 ZINC000820450224 606998307 /nfs/dbraw/zinc/99/83/07/606998307.db2.gz IBIBVIFHSSWEQW-SSDOTTSWSA-N -1 3 363.363 -0.710 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc[nH]n1 ZINC000820450225 606998161 /nfs/dbraw/zinc/99/81/61/606998161.db2.gz IBIBVIFHSSWEQW-ZETCQYMHSA-N -1 3 363.363 -0.710 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc[nH]n1 ZINC000820450225 606998160 /nfs/dbraw/zinc/99/81/60/606998160.db2.gz IBIBVIFHSSWEQW-ZETCQYMHSA-N -1 3 363.363 -0.710 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccncc1 ZINC000820450389 606985242 /nfs/dbraw/zinc/98/52/42/606985242.db2.gz JXPFYYXQSWTQAQ-JTQLQIEISA-N -1 3 373.398 -0.011 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccncc1 ZINC000820450389 606985240 /nfs/dbraw/zinc/98/52/40/606985240.db2.gz JXPFYYXQSWTQAQ-JTQLQIEISA-N -1 3 373.398 -0.011 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccncc1 ZINC000820450390 606985288 /nfs/dbraw/zinc/98/52/88/606985288.db2.gz JXPFYYXQSWTQAQ-SNVBAGLBSA-N -1 3 373.398 -0.011 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccncc1 ZINC000820450390 606985287 /nfs/dbraw/zinc/98/52/87/606985287.db2.gz JXPFYYXQSWTQAQ-SNVBAGLBSA-N -1 3 373.398 -0.011 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820450673 599467731 /nfs/dbraw/zinc/46/77/31/599467731.db2.gz OMKVZXVSFUEQEF-SECBINFHSA-N -1 3 354.392 -0.701 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820450679 599468156 /nfs/dbraw/zinc/46/81/56/599468156.db2.gz OMKVZXVSFUEQEF-VIFPVBQESA-N -1 3 354.392 -0.701 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCO ZINC000820450818 607192525 /nfs/dbraw/zinc/19/25/25/607192525.db2.gz PJRBGQJPHPJTHN-SECBINFHSA-N -1 3 354.392 -0.968 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCO ZINC000820450818 607192524 /nfs/dbraw/zinc/19/25/24/607192524.db2.gz PJRBGQJPHPJTHN-SECBINFHSA-N -1 3 354.392 -0.968 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCO ZINC000820450819 607192314 /nfs/dbraw/zinc/19/23/14/607192314.db2.gz PJRBGQJPHPJTHN-VIFPVBQESA-N -1 3 354.392 -0.968 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCO ZINC000820450819 607192313 /nfs/dbraw/zinc/19/23/13/607192313.db2.gz PJRBGQJPHPJTHN-VIFPVBQESA-N -1 3 354.392 -0.968 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc[nH]n1 ZINC000820451243 607010758 /nfs/dbraw/zinc/01/07/58/607010758.db2.gz TUZLPKBQLNTEJD-MRVPVSSYSA-N -1 3 362.375 -0.105 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc[nH]n1 ZINC000820451243 607010757 /nfs/dbraw/zinc/01/07/57/607010757.db2.gz TUZLPKBQLNTEJD-MRVPVSSYSA-N -1 3 362.375 -0.105 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc[nH]n1 ZINC000820451245 607010814 /nfs/dbraw/zinc/01/08/14/607010814.db2.gz TUZLPKBQLNTEJD-QMMMGPOBSA-N -1 3 362.375 -0.105 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc[nH]n1 ZINC000820451245 607010812 /nfs/dbraw/zinc/01/08/12/607010812.db2.gz TUZLPKBQLNTEJD-QMMMGPOBSA-N -1 3 362.375 -0.105 20 0 FBADHM C[C@@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451266 607224091 /nfs/dbraw/zinc/22/40/91/607224091.db2.gz UHZLGFMMYOYZJU-NXEZZACHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451266 607224090 /nfs/dbraw/zinc/22/40/90/607224090.db2.gz UHZLGFMMYOYZJU-NXEZZACHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451267 607224045 /nfs/dbraw/zinc/22/40/45/607224045.db2.gz UHZLGFMMYOYZJU-ZJUUUORDSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451267 607224044 /nfs/dbraw/zinc/22/40/44/607224044.db2.gz UHZLGFMMYOYZJU-ZJUUUORDSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CN(C)CCO1 ZINC000820451581 607259646 /nfs/dbraw/zinc/25/96/46/607259646.db2.gz WAWMXPALKSIDFL-GWCFXTLKSA-N -1 3 352.420 -0.136 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CN(C)CCO1 ZINC000820451581 607259645 /nfs/dbraw/zinc/25/96/45/607259645.db2.gz WAWMXPALKSIDFL-GWCFXTLKSA-N -1 3 352.420 -0.136 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CN(C)CCO1 ZINC000820451582 607259530 /nfs/dbraw/zinc/25/95/30/607259530.db2.gz WAWMXPALKSIDFL-GXFFZTMASA-N -1 3 352.420 -0.136 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CN(C)CCO1 ZINC000820451582 607259529 /nfs/dbraw/zinc/25/95/29/607259529.db2.gz WAWMXPALKSIDFL-GXFFZTMASA-N -1 3 352.420 -0.136 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CN(C)CCO1 ZINC000820451583 607259566 /nfs/dbraw/zinc/25/95/66/607259566.db2.gz WAWMXPALKSIDFL-MFKMUULPSA-N -1 3 352.420 -0.136 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CN(C)CCO1 ZINC000820451583 607259565 /nfs/dbraw/zinc/25/95/65/607259565.db2.gz WAWMXPALKSIDFL-MFKMUULPSA-N -1 3 352.420 -0.136 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CN(C)CCO1 ZINC000820451585 607259461 /nfs/dbraw/zinc/25/94/61/607259461.db2.gz WAWMXPALKSIDFL-ZWNOBZJWSA-N -1 3 352.420 -0.136 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CN(C)CCO1 ZINC000820451585 607259460 /nfs/dbraw/zinc/25/94/60/607259460.db2.gz WAWMXPALKSIDFL-ZWNOBZJWSA-N -1 3 352.420 -0.136 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCCO ZINC000820451808 607120554 /nfs/dbraw/zinc/12/05/54/607120554.db2.gz XBTZIHSTHJXUHU-SECBINFHSA-N -1 3 355.376 -0.541 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCCO 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XROYNDHLRIAAJG-VHSXEESVSA-N -1 3 353.404 -0.333 20 0 FBADHM C[C@@H](O)[C@H](C)S(=O)(=O)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820468903 599120512 /nfs/dbraw/zinc/12/05/12/599120512.db2.gz XROYNDHLRIAAJG-ZJUUUORDSA-N -1 3 353.404 -0.333 20 0 FBADHM C[C@@H](O)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820473497 607052704 /nfs/dbraw/zinc/05/27/04/607052704.db2.gz FDROWELXUPWTJQ-NXEZZACHSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](O)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820473497 607052703 /nfs/dbraw/zinc/05/27/03/607052703.db2.gz FDROWELXUPWTJQ-NXEZZACHSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@H](O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820473498 607052854 /nfs/dbraw/zinc/05/28/54/607052854.db2.gz FDROWELXUPWTJQ-UWVGGRQHSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@H](O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820473498 607052852 /nfs/dbraw/zinc/05/28/52/607052852.db2.gz FDROWELXUPWTJQ-UWVGGRQHSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@H](C)O ZINC000820473499 607053018 /nfs/dbraw/zinc/05/30/18/607053018.db2.gz FDROWELXUPWTJQ-VHSXEESVSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C[C@H](C)O ZINC000820473499 607053015 /nfs/dbraw/zinc/05/30/15/607053015.db2.gz FDROWELXUPWTJQ-VHSXEESVSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820473500 607052739 /nfs/dbraw/zinc/05/27/39/607052739.db2.gz FDROWELXUPWTJQ-ZJUUUORDSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820473500 607052737 /nfs/dbraw/zinc/05/27/37/607052737.db2.gz FDROWELXUPWTJQ-ZJUUUORDSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](O)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820473865 607052698 /nfs/dbraw/zinc/05/26/98/607052698.db2.gz MZXKTZFIXXBHFE-NXEZZACHSA-N -1 3 368.419 -0.627 20 0 FBADHM 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ZINC000820479866 608582033 /nfs/dbraw/zinc/58/20/33/608582033.db2.gz CTLSJRVYMWURDA-RKDXNWHRSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@H](O)c1cn(CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000820480109 606833795 /nfs/dbraw/zinc/83/37/95/606833795.db2.gz FXDBKEOVYYHZBA-JTQLQIEISA-N -1 3 358.362 -0.293 20 0 FBADHM C[C@@H](O)c1cn(CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000820480112 606834172 /nfs/dbraw/zinc/83/41/72/606834172.db2.gz FXDBKEOVYYHZBA-SNVBAGLBSA-N -1 3 358.362 -0.293 20 0 FBADHM C[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820480470 608582524 /nfs/dbraw/zinc/58/25/24/608582524.db2.gz KOYSFBSXCJBTTP-BDAKNGLRSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820480470 608582522 /nfs/dbraw/zinc/58/25/22/608582522.db2.gz KOYSFBSXCJBTTP-BDAKNGLRSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)O ZINC000820480472 608580913 /nfs/dbraw/zinc/58/09/13/608580913.db2.gz KOYSFBSXCJBTTP-DTWKUNHWSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](C)O ZINC000820480472 608580911 /nfs/dbraw/zinc/58/09/11/608580911.db2.gz KOYSFBSXCJBTTP-DTWKUNHWSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820480474 608580727 /nfs/dbraw/zinc/58/07/27/608580727.db2.gz KOYSFBSXCJBTTP-IUCAKERBSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820480474 608580725 /nfs/dbraw/zinc/58/07/25/608580725.db2.gz KOYSFBSXCJBTTP-IUCAKERBSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820480477 608582934 /nfs/dbraw/zinc/58/29/34/608582934.db2.gz KOYSFBSXCJBTTP-RKDXNWHRSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820480477 608582933 /nfs/dbraw/zinc/58/29/33/608582933.db2.gz KOYSFBSXCJBTTP-RKDXNWHRSA-N -1 3 354.392 -0.970 20 0 FBADHM C[C@@H](O)c1cn(CC(=O)NCCNc2ncccc2-c2nn[n-]n2)nn1 ZINC000820480479 606833906 /nfs/dbraw/zinc/83/39/06/606833906.db2.gz KPGVLMPUNOYNEB-SECBINFHSA-N -1 3 358.366 -0.865 20 0 FBADHM C[C@@H](O)c1cn(CC(=O)NCCNc2ncccc2-c2nnn[n-]2)nn1 ZINC000820480479 606833905 /nfs/dbraw/zinc/83/39/05/606833905.db2.gz KPGVLMPUNOYNEB-SECBINFHSA-N -1 3 358.366 -0.865 20 0 FBADHM C[C@H](O)c1cn(CC(=O)NCCNc2ncccc2-c2nn[n-]n2)nn1 ZINC000820480481 606834018 /nfs/dbraw/zinc/83/40/18/606834018.db2.gz KPGVLMPUNOYNEB-VIFPVBQESA-N -1 3 358.366 -0.865 20 0 FBADHM C[C@H](O)c1cn(CC(=O)NCCNc2ncccc2-c2nnn[n-]2)nn1 ZINC000820480481 606834015 /nfs/dbraw/zinc/83/40/15/606834015.db2.gz KPGVLMPUNOYNEB-VIFPVBQESA-N -1 3 358.366 -0.865 20 0 FBADHM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC000820480658 606609100 /nfs/dbraw/zinc/60/91/00/606609100.db2.gz MLHWAKWCLGPNEF-NEPJUHHUSA-N -1 3 373.417 -0.281 20 0 FBADHM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC000820480658 606609098 /nfs/dbraw/zinc/60/90/98/606609098.db2.gz MLHWAKWCLGPNEF-NEPJUHHUSA-N -1 3 373.417 -0.281 20 0 FBADHM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000820480659 606609013 /nfs/dbraw/zinc/60/90/13/606609013.db2.gz MLHWAKWCLGPNEF-NWDGAFQWSA-N -1 3 373.417 -0.281 20 0 FBADHM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000820480659 606609011 /nfs/dbraw/zinc/60/90/11/606609011.db2.gz MLHWAKWCLGPNEF-NWDGAFQWSA-N -1 3 373.417 -0.281 20 0 FBADHM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000820480660 606609291 /nfs/dbraw/zinc/60/92/91/606609291.db2.gz MLHWAKWCLGPNEF-RYUDHWBXSA-N -1 3 373.417 -0.281 20 0 FBADHM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000820480660 606609289 /nfs/dbraw/zinc/60/92/89/606609289.db2.gz MLHWAKWCLGPNEF-RYUDHWBXSA-N -1 3 373.417 -0.281 20 0 FBADHM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC000820480661 606608912 /nfs/dbraw/zinc/60/89/12/606608912.db2.gz MLHWAKWCLGPNEF-VXGBXAGGSA-N -1 3 373.417 -0.281 20 0 FBADHM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC000820480661 606608910 /nfs/dbraw/zinc/60/89/10/606608910.db2.gz MLHWAKWCLGPNEF-VXGBXAGGSA-N -1 3 373.417 -0.281 20 0 FBADHM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480742 606609038 /nfs/dbraw/zinc/60/90/38/606609038.db2.gz NRRHLBHJHMTCDT-LLVKDONJSA-N -1 3 359.390 -0.670 20 0 FBADHM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480743 606609422 /nfs/dbraw/zinc/60/94/22/606609422.db2.gz NRRHLBHJHMTCDT-NSHDSACASA-N -1 3 359.390 -0.670 20 0 FBADHM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820481524 606608938 /nfs/dbraw/zinc/60/89/38/606608938.db2.gz WYOGFNDETSUUBW-LLVKDONJSA-N -1 3 359.390 -0.670 20 0 FBADHM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820481524 606608937 /nfs/dbraw/zinc/60/89/37/606608937.db2.gz WYOGFNDETSUUBW-LLVKDONJSA-N -1 3 359.390 -0.670 20 0 FBADHM 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COc1ncc(S(=O)(=O)[N-][C@@H]2CCN(c3cnn(C)c3)C2=O)s1 ZINC000820791415 661078638 /nfs/dbraw/zinc/07/86/38/661078638.db2.gz RWEOJKCMAMZQAQ-SECBINFHSA-N -1 3 357.417 -0.031 20 0 FBADHM COc1ncc(S(=O)(=O)[N-][C@H]2CCN(c3cnn(C)c3)C2=O)s1 ZINC000820791416 661078604 /nfs/dbraw/zinc/07/86/04/661078604.db2.gz RWEOJKCMAMZQAQ-VIFPVBQESA-N -1 3 357.417 -0.031 20 0 FBADHM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820803572 607251030 /nfs/dbraw/zinc/25/10/30/607251030.db2.gz CKCWMLDCNMFIKA-BDAKNGLRSA-N -1 3 357.367 -0.224 20 0 FBADHM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820803573 607251006 /nfs/dbraw/zinc/25/10/06/607251006.db2.gz CKCWMLDCNMFIKA-DTWKUNHWSA-N -1 3 357.367 -0.224 20 0 FBADHM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820803574 607250964 /nfs/dbraw/zinc/25/09/64/607250964.db2.gz CKCWMLDCNMFIKA-IUCAKERBSA-N -1 3 357.367 -0.224 20 0 FBADHM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820803575 607251003 /nfs/dbraw/zinc/25/10/03/607251003.db2.gz CKCWMLDCNMFIKA-RKDXNWHRSA-N -1 3 357.367 -0.224 20 0 FBADHM C[C@H]1CO[C@H](CO)CN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820803858 661078867 /nfs/dbraw/zinc/07/88/67/661078867.db2.gz INZBRTAQEMEIOQ-AAEUAGOBSA-N -1 3 367.431 -0.278 20 0 FBADHM C[C@H]1CO[C@H](CO)CN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820803858 661078864 /nfs/dbraw/zinc/07/88/64/661078864.db2.gz INZBRTAQEMEIOQ-AAEUAGOBSA-N -1 3 367.431 -0.278 20 0 FBADHM C[C@@H]1CO[C@@H](CO)CN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820803859 661078989 /nfs/dbraw/zinc/07/89/89/661078989.db2.gz INZBRTAQEMEIOQ-DGCLKSJQSA-N -1 3 367.431 -0.278 20 0 FBADHM C[C@@H]1CO[C@@H](CO)CN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820803859 661078985 /nfs/dbraw/zinc/07/89/85/661078985.db2.gz INZBRTAQEMEIOQ-DGCLKSJQSA-N -1 3 367.431 -0.278 20 0 FBADHM C[C@H]1CO[C@@H](CO)CN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820803860 661078890 /nfs/dbraw/zinc/07/88/90/661078890.db2.gz INZBRTAQEMEIOQ-WCQYABFASA-N -1 3 367.431 -0.278 20 0 FBADHM C[C@H]1CO[C@@H](CO)CN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820803860 661078887 /nfs/dbraw/zinc/07/88/87/661078887.db2.gz INZBRTAQEMEIOQ-WCQYABFASA-N -1 3 367.431 -0.278 20 0 FBADHM C[C@@H]1CO[C@H](CO)CN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820803861 661079016 /nfs/dbraw/zinc/07/90/16/661079016.db2.gz INZBRTAQEMEIOQ-YPMHNXCESA-N -1 3 367.431 -0.278 20 0 FBADHM C[C@@H]1CO[C@H](CO)CN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820803861 661079012 /nfs/dbraw/zinc/07/90/12/661079012.db2.gz INZBRTAQEMEIOQ-YPMHNXCESA-N -1 3 367.431 -0.278 20 0 FBADHM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820804117 607251126 /nfs/dbraw/zinc/25/11/26/607251126.db2.gz MTMHJWYWPMZYBZ-GWCFXTLKSA-N -1 3 353.404 -0.222 20 0 FBADHM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820804117 607251125 /nfs/dbraw/zinc/25/11/25/607251125.db2.gz MTMHJWYWPMZYBZ-GWCFXTLKSA-N -1 3 353.404 -0.222 20 0 FBADHM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820804118 607251144 /nfs/dbraw/zinc/25/11/44/607251144.db2.gz MTMHJWYWPMZYBZ-GXFFZTMASA-N -1 3 353.404 -0.222 20 0 FBADHM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820804118 607251143 /nfs/dbraw/zinc/25/11/43/607251143.db2.gz MTMHJWYWPMZYBZ-GXFFZTMASA-N -1 3 353.404 -0.222 20 0 FBADHM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820804119 607250961 /nfs/dbraw/zinc/25/09/61/607250961.db2.gz MTMHJWYWPMZYBZ-MFKMUULPSA-N -1 3 353.404 -0.222 20 0 FBADHM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820804119 607250960 /nfs/dbraw/zinc/25/09/60/607250960.db2.gz MTMHJWYWPMZYBZ-MFKMUULPSA-N -1 3 353.404 -0.222 20 0 FBADHM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820804120 607251102 /nfs/dbraw/zinc/25/11/02/607251102.db2.gz MTMHJWYWPMZYBZ-ZWNOBZJWSA-N -1 3 353.404 -0.222 20 0 FBADHM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820804120 607251101 /nfs/dbraw/zinc/25/11/01/607251101.db2.gz MTMHJWYWPMZYBZ-ZWNOBZJWSA-N -1 3 353.404 -0.222 20 0 FBADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820804254 607093163 /nfs/dbraw/zinc/09/31/63/607093163.db2.gz PBHDSCLTMLXXBL-PSASIEDQSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820804254 607093162 /nfs/dbraw/zinc/09/31/62/607093162.db2.gz PBHDSCLTMLXXBL-PSASIEDQSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820804255 607093347 /nfs/dbraw/zinc/09/33/47/607093347.db2.gz PBHDSCLTMLXXBL-SCZZXKLOSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820804255 607093346 /nfs/dbraw/zinc/09/33/46/607093346.db2.gz PBHDSCLTMLXXBL-SCZZXKLOSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820804256 607093257 /nfs/dbraw/zinc/09/32/57/607093257.db2.gz PBHDSCLTMLXXBL-WCBMZHEXSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820804256 607093256 /nfs/dbraw/zinc/09/32/56/607093256.db2.gz PBHDSCLTMLXXBL-WCBMZHEXSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820804257 607093098 /nfs/dbraw/zinc/09/30/98/607093098.db2.gz PBHDSCLTMLXXBL-WPRPVWTQSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820804257 607093096 /nfs/dbraw/zinc/09/30/96/607093096.db2.gz PBHDSCLTMLXXBL-WPRPVWTQSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820804581 607093075 /nfs/dbraw/zinc/09/30/75/607093075.db2.gz VKZSAQSFOAHCLK-PSASIEDQSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820804581 607093074 /nfs/dbraw/zinc/09/30/74/607093074.db2.gz VKZSAQSFOAHCLK-PSASIEDQSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820804582 607093204 /nfs/dbraw/zinc/09/32/04/607093204.db2.gz VKZSAQSFOAHCLK-SCZZXKLOSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820804582 607093203 /nfs/dbraw/zinc/09/32/03/607093203.db2.gz VKZSAQSFOAHCLK-SCZZXKLOSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820804583 607093249 /nfs/dbraw/zinc/09/32/49/607093249.db2.gz VKZSAQSFOAHCLK-WCBMZHEXSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820804583 607093248 /nfs/dbraw/zinc/09/32/48/607093248.db2.gz VKZSAQSFOAHCLK-WCBMZHEXSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820804584 607093160 /nfs/dbraw/zinc/09/31/60/607093160.db2.gz VKZSAQSFOAHCLK-WPRPVWTQSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820804584 607093159 /nfs/dbraw/zinc/09/31/59/607093159.db2.gz VKZSAQSFOAHCLK-WPRPVWTQSA-N -1 3 364.337 -0.448 20 0 FBADHM C[C@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820818682 606307497 /nfs/dbraw/zinc/30/74/97/606307497.db2.gz AOKCWRXNGCLPAX-MRVPVSSYSA-N -1 3 350.360 -0.419 20 0 FBADHM C[C@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820818682 606307495 /nfs/dbraw/zinc/30/74/95/606307495.db2.gz AOKCWRXNGCLPAX-MRVPVSSYSA-N -1 3 350.360 -0.419 20 0 FBADHM C[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820818683 606307714 /nfs/dbraw/zinc/30/77/14/606307714.db2.gz AOKCWRXNGCLPAX-QMMMGPOBSA-N -1 3 350.360 -0.419 20 0 FBADHM C[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820818683 606307712 /nfs/dbraw/zinc/30/77/12/606307712.db2.gz AOKCWRXNGCLPAX-QMMMGPOBSA-N -1 3 350.360 -0.419 20 0 FBADHM CCC(=O)N1CC[C@@H](NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820837250 606800757 /nfs/dbraw/zinc/80/07/57/606800757.db2.gz HJNHCDQPDLDOQM-GFCCVEGCSA-N -1 3 373.421 -0.016 20 0 FBADHM CCC(=O)N1CC[C@@H](NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820837250 606800755 /nfs/dbraw/zinc/80/07/55/606800755.db2.gz HJNHCDQPDLDOQM-GFCCVEGCSA-N -1 3 373.421 -0.016 20 0 FBADHM CCC(=O)N1CC[C@H](NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820837255 606801075 /nfs/dbraw/zinc/80/10/75/606801075.db2.gz HJNHCDQPDLDOQM-LBPRGKRZSA-N -1 3 373.421 -0.016 20 0 FBADHM CCC(=O)N1CC[C@H](NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820837255 606801073 /nfs/dbraw/zinc/80/10/73/606801073.db2.gz HJNHCDQPDLDOQM-LBPRGKRZSA-N -1 3 373.421 -0.016 20 0 FBADHM CCC(=O)N1CC[C@@H](NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820837954 606804595 /nfs/dbraw/zinc/80/45/95/606804595.db2.gz OITXLVHFKJRDSE-CYBMUJFWSA-N -1 3 371.401 -0.276 20 0 FBADHM CCC(=O)N1CC[C@@H](NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820837954 606804593 /nfs/dbraw/zinc/80/45/93/606804593.db2.gz OITXLVHFKJRDSE-CYBMUJFWSA-N -1 3 371.401 -0.276 20 0 FBADHM CCC(=O)N1CC[C@H](NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820837956 606804705 /nfs/dbraw/zinc/80/47/05/606804705.db2.gz OITXLVHFKJRDSE-ZDUSSCGKSA-N -1 3 371.401 -0.276 20 0 FBADHM CCC(=O)N1CC[C@H](NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820837956 606804704 /nfs/dbraw/zinc/80/47/04/606804704.db2.gz OITXLVHFKJRDSE-ZDUSSCGKSA-N -1 3 371.401 -0.276 20 0 FBADHM CCC(=O)N1CC[C@@H](NC(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000820838224 606801117 /nfs/dbraw/zinc/80/11/17/606801117.db2.gz QNPIYKPPOBMZDM-LLVKDONJSA-N -1 3 373.421 -0.016 20 0 FBADHM CCC(=O)N1CC[C@@H](NC(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000820838224 606801114 /nfs/dbraw/zinc/80/11/14/606801114.db2.gz QNPIYKPPOBMZDM-LLVKDONJSA-N -1 3 373.421 -0.016 20 0 FBADHM CCC(=O)N1CC[C@H](NC(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000820838225 606801154 /nfs/dbraw/zinc/80/11/54/606801154.db2.gz QNPIYKPPOBMZDM-NSHDSACASA-N -1 3 373.421 -0.016 20 0 FBADHM CCC(=O)N1CC[C@H](NC(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000820838225 606801152 /nfs/dbraw/zinc/80/11/52/606801152.db2.gz QNPIYKPPOBMZDM-NSHDSACASA-N -1 3 373.421 -0.016 20 0 FBADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820838344 606817044 /nfs/dbraw/zinc/81/70/44/606817044.db2.gz SZQWAEUASGCOTD-GFCCVEGCSA-N -1 3 357.374 -0.068 20 0 FBADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820838344 606817042 /nfs/dbraw/zinc/81/70/42/606817042.db2.gz SZQWAEUASGCOTD-GFCCVEGCSA-N -1 3 357.374 -0.068 20 0 FBADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820838348 606817408 /nfs/dbraw/zinc/81/74/08/606817408.db2.gz SZQWAEUASGCOTD-LBPRGKRZSA-N -1 3 357.374 -0.068 20 0 FBADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820838348 606817405 /nfs/dbraw/zinc/81/74/05/606817405.db2.gz SZQWAEUASGCOTD-LBPRGKRZSA-N -1 3 357.374 -0.068 20 0 FBADHM CCC(=O)N1CC[C@@H](Nc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000820838518 606791995 /nfs/dbraw/zinc/79/19/95/606791995.db2.gz USRHOGVBYVPGMM-SECBINFHSA-N -1 3 365.419 -0.063 20 0 FBADHM CCC(=O)N1CC[C@@H](Nc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000820838518 606791994 /nfs/dbraw/zinc/79/19/94/606791994.db2.gz USRHOGVBYVPGMM-SECBINFHSA-N -1 3 365.419 -0.063 20 0 FBADHM CCC(=O)N1CC[C@H](Nc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000820838519 606791651 /nfs/dbraw/zinc/79/16/51/606791651.db2.gz USRHOGVBYVPGMM-VIFPVBQESA-N -1 3 365.419 -0.063 20 0 FBADHM CCC(=O)N1CC[C@H](Nc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000820838519 606791650 /nfs/dbraw/zinc/79/16/50/606791650.db2.gz USRHOGVBYVPGMM-VIFPVBQESA-N -1 3 365.419 -0.063 20 0 FBADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820838595 606817147 /nfs/dbraw/zinc/81/71/47/606817147.db2.gz XKEISCARFVTTTF-GFCCVEGCSA-N -1 3 357.374 -0.068 20 0 FBADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820838595 606817145 /nfs/dbraw/zinc/81/71/45/606817145.db2.gz XKEISCARFVTTTF-GFCCVEGCSA-N -1 3 357.374 -0.068 20 0 FBADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820838596 606817315 /nfs/dbraw/zinc/81/73/15/606817315.db2.gz XKEISCARFVTTTF-LBPRGKRZSA-N -1 3 357.374 -0.068 20 0 FBADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820838596 606817314 /nfs/dbraw/zinc/81/73/14/606817314.db2.gz XKEISCARFVTTTF-LBPRGKRZSA-N -1 3 357.374 -0.068 20 0 FBADHM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000820876383 606276397 /nfs/dbraw/zinc/27/63/97/606276397.db2.gz PLWSHGGKWXKHGO-GFCCVEGCSA-N -1 3 374.449 -0.122 20 0 FBADHM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000820876383 606276395 /nfs/dbraw/zinc/27/63/95/606276395.db2.gz PLWSHGGKWXKHGO-GFCCVEGCSA-N -1 3 374.449 -0.122 20 0 FBADHM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000820876384 606276584 /nfs/dbraw/zinc/27/65/84/606276584.db2.gz PLWSHGGKWXKHGO-LBPRGKRZSA-N -1 3 374.449 -0.122 20 0 FBADHM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000820876384 606276582 /nfs/dbraw/zinc/27/65/82/606276582.db2.gz PLWSHGGKWXKHGO-LBPRGKRZSA-N -1 3 374.449 -0.122 20 0 FBADHM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 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CNC(=O)C(C)(C)CNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000821630313 607500729 /nfs/dbraw/zinc/50/07/29/607500729.db2.gz TWALMUDMQNFRNB-UHFFFAOYSA-N -1 3 361.410 -0.255 20 0 FBADHM CNC(=O)[C@@H](C)CN(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821630488 606185584 /nfs/dbraw/zinc/18/55/84/606185584.db2.gz ZYAYLKRRUDHEAB-JTQLQIEISA-N -1 3 359.390 -0.563 20 0 FBADHM CNC(=O)[C@@H](C)CN(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821630488 606185582 /nfs/dbraw/zinc/18/55/82/606185582.db2.gz ZYAYLKRRUDHEAB-JTQLQIEISA-N -1 3 359.390 -0.563 20 0 FBADHM CNC(=O)[C@H](C)CN(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821630489 606185510 /nfs/dbraw/zinc/18/55/10/606185510.db2.gz ZYAYLKRRUDHEAB-SNVBAGLBSA-N -1 3 359.390 -0.563 20 0 FBADHM CNC(=O)[C@H](C)CN(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821630489 606185508 /nfs/dbraw/zinc/18/55/08/606185508.db2.gz ZYAYLKRRUDHEAB-SNVBAGLBSA-N -1 3 359.390 -0.563 20 0 FBADHM CNC(=O)[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821631212 607440982 /nfs/dbraw/zinc/44/09/82/607440982.db2.gz BIPNBMGKQYOKMI-CYBMUJFWSA-N -1 3 359.390 -0.517 20 0 FBADHM CNC(=O)[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821631212 607440980 /nfs/dbraw/zinc/44/09/80/607440980.db2.gz BIPNBMGKQYOKMI-CYBMUJFWSA-N -1 3 359.390 -0.517 20 0 FBADHM CNC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821631213 607441060 /nfs/dbraw/zinc/44/10/60/607441060.db2.gz BIPNBMGKQYOKMI-ZDUSSCGKSA-N -1 3 359.390 -0.517 20 0 FBADHM CNC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821631213 607441059 /nfs/dbraw/zinc/44/10/59/607441059.db2.gz BIPNBMGKQYOKMI-ZDUSSCGKSA-N -1 3 359.390 -0.517 20 0 FBADHM CNC(=O)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821631336 599550281 /nfs/dbraw/zinc/55/02/81/599550281.db2.gz GHNVDEIOQKJCJK-SECBINFHSA-N -1 3 365.419 -0.524 20 0 FBADHM CNC(=O)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821631336 599550279 /nfs/dbraw/zinc/55/02/79/599550279.db2.gz GHNVDEIOQKJCJK-SECBINFHSA-N -1 3 365.419 -0.524 20 0 FBADHM CNC(=O)[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821631337 599550030 /nfs/dbraw/zinc/55/00/30/599550030.db2.gz GHNVDEIOQKJCJK-VIFPVBQESA-N -1 3 365.419 -0.524 20 0 FBADHM CNC(=O)[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821631337 599550027 /nfs/dbraw/zinc/55/00/27/599550027.db2.gz GHNVDEIOQKJCJK-VIFPVBQESA-N -1 3 365.419 -0.524 20 0 FBADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821631412 607093646 /nfs/dbraw/zinc/09/36/46/607093646.db2.gz IPRTVIGQTHNPTB-LLVKDONJSA-N -1 3 361.337 -0.319 20 0 FBADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821631412 607093644 /nfs/dbraw/zinc/09/36/44/607093644.db2.gz IPRTVIGQTHNPTB-LLVKDONJSA-N -1 3 361.337 -0.319 20 0 FBADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821631413 607093672 /nfs/dbraw/zinc/09/36/72/607093672.db2.gz IPRTVIGQTHNPTB-NSHDSACASA-N -1 3 361.337 -0.319 20 0 FBADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821631413 607093671 /nfs/dbraw/zinc/09/36/71/607093671.db2.gz IPRTVIGQTHNPTB-NSHDSACASA-N -1 3 361.337 -0.319 20 0 FBADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821631487 607093634 /nfs/dbraw/zinc/09/36/34/607093634.db2.gz KEKOVLUBLPQWDX-LLVKDONJSA-N -1 3 373.373 -0.449 20 0 FBADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821631487 607093632 /nfs/dbraw/zinc/09/36/32/607093632.db2.gz KEKOVLUBLPQWDX-LLVKDONJSA-N -1 3 373.373 -0.449 20 0 FBADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821631488 607093654 /nfs/dbraw/zinc/09/36/54/607093654.db2.gz KEKOVLUBLPQWDX-NSHDSACASA-N -1 3 373.373 -0.449 20 0 FBADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821631488 607093653 /nfs/dbraw/zinc/09/36/53/607093653.db2.gz KEKOVLUBLPQWDX-NSHDSACASA-N -1 3 373.373 -0.449 20 0 FBADHM CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(C)C ZINC000821631594 607439567 /nfs/dbraw/zinc/43/95/67/607439567.db2.gz NASVDJFPSNGFNV-LLVKDONJSA-N -1 3 363.353 -0.169 20 0 FBADHM CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(C)C ZINC000821631594 607439566 /nfs/dbraw/zinc/43/95/66/607439566.db2.gz NASVDJFPSNGFNV-LLVKDONJSA-N -1 3 363.353 -0.169 20 0 FBADHM CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(C)C ZINC000821631595 607439260 /nfs/dbraw/zinc/43/92/60/607439260.db2.gz NASVDJFPSNGFNV-NSHDSACASA-N -1 3 363.353 -0.169 20 0 FBADHM CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(C)C ZINC000821631595 607439258 /nfs/dbraw/zinc/43/92/58/607439258.db2.gz NASVDJFPSNGFNV-NSHDSACASA-N -1 3 363.353 -0.169 20 0 FBADHM CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000821631627 607439512 /nfs/dbraw/zinc/43/95/12/607439512.db2.gz NYVPKMQPYTWMFC-LLVKDONJSA-N -1 3 363.353 -0.169 20 0 FBADHM CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000821631627 607439511 /nfs/dbraw/zinc/43/95/11/607439511.db2.gz NYVPKMQPYTWMFC-LLVKDONJSA-N -1 3 363.353 -0.169 20 0 FBADHM CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000821631628 607439355 /nfs/dbraw/zinc/43/93/55/607439355.db2.gz NYVPKMQPYTWMFC-NSHDSACASA-N -1 3 363.353 -0.169 20 0 FBADHM CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000821631628 607439353 /nfs/dbraw/zinc/43/93/53/607439353.db2.gz NYVPKMQPYTWMFC-NSHDSACASA-N -1 3 363.353 -0.169 20 0 FBADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821631630 607345059 /nfs/dbraw/zinc/34/50/59/607345059.db2.gz OBCUJNGJIPVXQX-LLVKDONJSA-N -1 3 361.337 -0.319 20 0 FBADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821631630 607345057 /nfs/dbraw/zinc/34/50/57/607345057.db2.gz OBCUJNGJIPVXQX-LLVKDONJSA-N -1 3 361.337 -0.319 20 0 FBADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821631631 607344863 /nfs/dbraw/zinc/34/48/63/607344863.db2.gz OBCUJNGJIPVXQX-NSHDSACASA-N -1 3 361.337 -0.319 20 0 FBADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821631631 607344861 /nfs/dbraw/zinc/34/48/61/607344861.db2.gz OBCUJNGJIPVXQX-NSHDSACASA-N -1 3 361.337 -0.319 20 0 FBADHM CNC(=O)[C@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC000821631660 607391927 /nfs/dbraw/zinc/39/19/27/607391927.db2.gz OZQWADQGLMYIKT-GFCCVEGCSA-N -1 3 361.410 -0.257 20 0 FBADHM CNC(=O)[C@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC000821631660 607391925 /nfs/dbraw/zinc/39/19/25/607391925.db2.gz OZQWADQGLMYIKT-GFCCVEGCSA-N -1 3 361.410 -0.257 20 0 FBADHM CNC(=O)[C@@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC000821631661 607392245 /nfs/dbraw/zinc/39/22/45/607392245.db2.gz OZQWADQGLMYIKT-LBPRGKRZSA-N -1 3 361.410 -0.257 20 0 FBADHM CNC(=O)[C@@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC000821631661 607392244 /nfs/dbraw/zinc/39/22/44/607392244.db2.gz OZQWADQGLMYIKT-LBPRGKRZSA-N -1 3 361.410 -0.257 20 0 FBADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821631679 607279368 /nfs/dbraw/zinc/27/93/68/607279368.db2.gz PPBJRVSVWQORTC-GFCCVEGCSA-N -1 3 357.374 -0.149 20 0 FBADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821631679 607279367 /nfs/dbraw/zinc/27/93/67/607279367.db2.gz PPBJRVSVWQORTC-GFCCVEGCSA-N -1 3 357.374 -0.149 20 0 FBADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821631680 607279392 /nfs/dbraw/zinc/27/93/92/607279392.db2.gz PPBJRVSVWQORTC-LBPRGKRZSA-N -1 3 357.374 -0.149 20 0 FBADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821631680 607279391 /nfs/dbraw/zinc/27/93/91/607279391.db2.gz PPBJRVSVWQORTC-LBPRGKRZSA-N -1 3 357.374 -0.149 20 0 FBADHM CNC(=O)[C@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821631713 606185836 /nfs/dbraw/zinc/18/58/36/606185836.db2.gz QRMLLGSBGBSMKM-CYBMUJFWSA-N -1 3 364.431 -0.149 20 0 FBADHM CNC(=O)[C@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821631713 606185834 /nfs/dbraw/zinc/18/58/34/606185834.db2.gz QRMLLGSBGBSMKM-CYBMUJFWSA-N -1 3 364.431 -0.149 20 0 FBADHM CNC(=O)[C@@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821631714 606186191 /nfs/dbraw/zinc/18/61/91/606186191.db2.gz QRMLLGSBGBSMKM-ZDUSSCGKSA-N -1 3 364.431 -0.149 20 0 FBADHM CNC(=O)[C@@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821631714 606186190 /nfs/dbraw/zinc/18/61/90/606186190.db2.gz QRMLLGSBGBSMKM-ZDUSSCGKSA-N -1 3 364.431 -0.149 20 0 FBADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821631758 607093725 /nfs/dbraw/zinc/09/37/25/607093725.db2.gz RTRWHVNBHLBJCY-LLVKDONJSA-N -1 3 357.374 -0.149 20 0 FBADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821631758 607093724 /nfs/dbraw/zinc/09/37/24/607093724.db2.gz RTRWHVNBHLBJCY-LLVKDONJSA-N -1 3 357.374 -0.149 20 0 FBADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821631759 607093485 /nfs/dbraw/zinc/09/34/85/607093485.db2.gz RTRWHVNBHLBJCY-NSHDSACASA-N -1 3 357.374 -0.149 20 0 FBADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821631759 607093483 /nfs/dbraw/zinc/09/34/83/607093483.db2.gz RTRWHVNBHLBJCY-NSHDSACASA-N -1 3 357.374 -0.149 20 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CNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821633962 606339262 /nfs/dbraw/zinc/33/92/62/606339262.db2.gz MCLKPIBVDFEVJP-UHFFFAOYSA-N -1 3 364.309 -0.090 20 0 FBADHM CNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821633962 606339260 /nfs/dbraw/zinc/33/92/60/606339260.db2.gz MCLKPIBVDFEVJP-UHFFFAOYSA-N -1 3 364.309 -0.090 20 0 FBADHM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821633967 606458293 /nfs/dbraw/zinc/45/82/93/606458293.db2.gz MINJKHHCMYPFSX-ZCFIWIBFSA-N -1 3 351.754 -0.291 20 0 FBADHM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821633967 606458291 /nfs/dbraw/zinc/45/82/91/606458291.db2.gz MINJKHHCMYPFSX-ZCFIWIBFSA-N -1 3 351.754 -0.291 20 0 FBADHM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821633968 606743691 /nfs/dbraw/zinc/74/36/91/606743691.db2.gz MKWWPNVPJYOQHB-ZCFIWIBFSA-N -1 3 351.754 -0.291 20 0 FBADHM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821633968 606743689 /nfs/dbraw/zinc/74/36/89/606743689.db2.gz MKWWPNVPJYOQHB-ZCFIWIBFSA-N -1 3 351.754 -0.291 20 0 FBADHM CNC(=O)Cc1noc(-c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)n1 ZINC000821633975 607118070 /nfs/dbraw/zinc/11/80/70/607118070.db2.gz MXUQTLPIBYCMGV-UHFFFAOYSA-N -1 3 366.345 -0.027 20 0 FBADHM CNC(=O)Cc1noc(-c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)n1 ZINC000821633975 607118068 /nfs/dbraw/zinc/11/80/68/607118068.db2.gz MXUQTLPIBYCMGV-UHFFFAOYSA-N -1 3 366.345 -0.027 20 0 FBADHM CNC(=O)N1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000821633990 606614094 /nfs/dbraw/zinc/61/40/94/606614094.db2.gz NHBDGDUDZNNQNZ-UHFFFAOYSA-N -1 3 350.408 -0.176 20 0 FBADHM CNC(=O)N1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000821633990 606614093 /nfs/dbraw/zinc/61/40/93/606614093.db2.gz NHBDGDUDZNNQNZ-UHFFFAOYSA-N -1 3 350.408 -0.176 20 0 FBADHM CNC(=O)N1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821634006 606198329 /nfs/dbraw/zinc/19/83/29/606198329.db2.gz NVQFQTGGDYXBJO-CYBMUJFWSA-N -1 3 361.406 -0.437 20 0 FBADHM CNC(=O)N1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821634007 606198168 /nfs/dbraw/zinc/19/81/68/606198168.db2.gz NVQFQTGGDYXBJO-ZDUSSCGKSA-N -1 3 361.406 -0.437 20 0 FBADHM CNC(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000821634087 606198221 /nfs/dbraw/zinc/19/82/21/606198221.db2.gz RCHHJKWVHAHVBP-AWEZNQCLSA-N -1 3 370.417 -0.071 20 0 FBADHM CNC(=O)N1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000821634087 606198219 /nfs/dbraw/zinc/19/82/19/606198219.db2.gz RCHHJKWVHAHVBP-AWEZNQCLSA-N -1 3 370.417 -0.071 20 0 FBADHM CNC(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000821634088 606198078 /nfs/dbraw/zinc/19/80/78/606198078.db2.gz RCHHJKWVHAHVBP-CQSZACIVSA-N -1 3 370.417 -0.071 20 0 FBADHM CNC(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000821634088 606198077 /nfs/dbraw/zinc/19/80/77/606198077.db2.gz RCHHJKWVHAHVBP-CQSZACIVSA-N -1 3 370.417 -0.071 20 0 FBADHM CNC(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821634119 606291336 /nfs/dbraw/zinc/29/13/36/606291336.db2.gz SFFZMSPSUJRWJS-UHFFFAOYSA-N -1 3 372.389 -0.920 20 0 FBADHM CNC(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821634119 606291334 /nfs/dbraw/zinc/29/13/34/606291334.db2.gz SFFZMSPSUJRWJS-UHFFFAOYSA-N -1 3 372.389 -0.920 20 0 FBADHM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821634121 607183380 /nfs/dbraw/zinc/18/33/80/607183380.db2.gz SFQGJDGFTQQRCG-ZCFIWIBFSA-N -1 3 351.754 -0.291 20 0 FBADHM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821634121 607183379 /nfs/dbraw/zinc/18/33/79/607183379.db2.gz SFQGJDGFTQQRCG-ZCFIWIBFSA-N -1 3 351.754 -0.291 20 0 FBADHM CNC(=O)Cc1noc(COC(=O)COc2ccccc2-c2nn[n-]n2)n1 ZINC000821634122 606130465 /nfs/dbraw/zinc/13/04/65/606130465.db2.gz SGKCHTUNJCKKLJ-UHFFFAOYSA-N -1 3 373.329 -0.340 20 0 FBADHM CNC(=O)Cc1noc(COC(=O)COc2ccccc2-c2nnn[n-]2)n1 ZINC000821634122 606130463 /nfs/dbraw/zinc/13/04/63/606130463.db2.gz SGKCHTUNJCKKLJ-UHFFFAOYSA-N -1 3 373.329 -0.340 20 0 FBADHM CNC(=O)Cc1noc(COC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821634160 606130685 /nfs/dbraw/zinc/13/06/85/606130685.db2.gz UPQIZZPLPLUJAB-UHFFFAOYSA-N -1 3 373.329 -0.340 20 0 FBADHM CNC(=O)COc1cccc(CC(=O)n2ncc(-c3nnn[n-]3)c2N)c1 ZINC000821634263 607422227 /nfs/dbraw/zinc/42/22/27/607422227.db2.gz ZRPGJVADGJHEDH-UHFFFAOYSA-N -1 3 356.346 -0.347 20 0 FBADHM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821634271 606458531 /nfs/dbraw/zinc/45/85/31/606458531.db2.gz ZWWPRPJDGAWGGZ-ZCFIWIBFSA-N -1 3 351.754 -0.291 20 0 FBADHM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821634271 606458530 /nfs/dbraw/zinc/45/85/30/606458530.db2.gz ZWWPRPJDGAWGGZ-ZCFIWIBFSA-N -1 3 351.754 -0.291 20 0 FBADHM CNC(=O)c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC000821635077 606035593 /nfs/dbraw/zinc/03/55/93/606035593.db2.gz LGTQTZVKMYOXGU-UHFFFAOYSA-N -1 3 366.389 -0.262 20 0 FBADHM CNC(=O)c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC000821635077 606035589 /nfs/dbraw/zinc/03/55/89/606035589.db2.gz LGTQTZVKMYOXGU-UHFFFAOYSA-N -1 3 366.389 -0.262 20 0 FBADHM CNC(=O)c1ccc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)nn1 ZINC000821635259 606035160 /nfs/dbraw/zinc/03/51/60/606035160.db2.gz TYCJSOLSYQDVKK-UHFFFAOYSA-N -1 3 366.389 -0.262 20 0 FBADHM CNC(=O)c1ccc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)nn1 ZINC000821635259 606035153 /nfs/dbraw/zinc/03/51/53/606035153.db2.gz TYCJSOLSYQDVKK-UHFFFAOYSA-N -1 3 366.389 -0.262 20 0 FBADHM CNS(=O)(=O)CCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000821636010 599121329 /nfs/dbraw/zinc/12/13/29/599121329.db2.gz BLZMDKMKYKLRCC-UHFFFAOYSA-N -1 3 363.396 -0.281 20 0 FBADHM CNS(=O)(=O)CCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000821636010 599121326 /nfs/dbraw/zinc/12/13/26/599121326.db2.gz BLZMDKMKYKLRCC-UHFFFAOYSA-N -1 3 363.396 -0.281 20 0 FBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821636027 606590293 /nfs/dbraw/zinc/59/02/93/606590293.db2.gz BWWLJRUYFYXISK-CYBMUJFWSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821636027 606590291 /nfs/dbraw/zinc/59/02/91/606590291.db2.gz BWWLJRUYFYXISK-CYBMUJFWSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821636028 606590662 /nfs/dbraw/zinc/59/06/62/606590662.db2.gz BWWLJRUYFYXISK-ZDUSSCGKSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821636028 606590661 /nfs/dbraw/zinc/59/06/61/606590661.db2.gz BWWLJRUYFYXISK-ZDUSSCGKSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821636119 606293916 /nfs/dbraw/zinc/29/39/16/606293916.db2.gz GONKFKKHSCJWCM-JTQLQIEISA-N -1 3 353.408 -0.641 20 0 FBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821636119 606293915 /nfs/dbraw/zinc/29/39/15/606293915.db2.gz GONKFKKHSCJWCM-JTQLQIEISA-N -1 3 353.408 -0.641 20 0 FBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821636120 606294260 /nfs/dbraw/zinc/29/42/60/606294260.db2.gz GONKFKKHSCJWCM-SNVBAGLBSA-N -1 3 353.408 -0.641 20 0 FBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821636120 606294259 /nfs/dbraw/zinc/29/42/59/606294259.db2.gz GONKFKKHSCJWCM-SNVBAGLBSA-N -1 3 353.408 -0.641 20 0 FBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)C1 ZINC000821636157 606288832 /nfs/dbraw/zinc/28/88/32/606288832.db2.gz HNQCBPHKUFHXTO-JTQLQIEISA-N -1 3 353.408 -0.641 20 0 FBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)C1 ZINC000821636157 606288830 /nfs/dbraw/zinc/28/88/30/606288830.db2.gz HNQCBPHKUFHXTO-JTQLQIEISA-N -1 3 353.408 -0.641 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)C1 ZINC000821636158 606288935 /nfs/dbraw/zinc/28/89/35/606288935.db2.gz HNQCBPHKUFHXTO-SNVBAGLBSA-N -1 3 353.408 -0.641 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)C1 ZINC000821636158 606288933 /nfs/dbraw/zinc/28/89/33/606288933.db2.gz HNQCBPHKUFHXTO-SNVBAGLBSA-N -1 3 353.408 -0.641 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821636168 606562122 /nfs/dbraw/zinc/56/21/22/606562122.db2.gz HVHDPAWWEKDYCA-CYBMUJFWSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821636168 606562120 /nfs/dbraw/zinc/56/21/20/606562120.db2.gz HVHDPAWWEKDYCA-CYBMUJFWSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821636169 606562019 /nfs/dbraw/zinc/56/20/19/606562019.db2.gz HVHDPAWWEKDYCA-ZDUSSCGKSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821636169 606562017 /nfs/dbraw/zinc/56/20/17/606562017.db2.gz HVHDPAWWEKDYCA-ZDUSSCGKSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)C1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821636242 606558749 /nfs/dbraw/zinc/55/87/49/606558749.db2.gz KXKQXLOQXWKHHB-UHFFFAOYSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)C1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821636242 606558747 /nfs/dbraw/zinc/55/87/47/606558747.db2.gz KXKQXLOQXWKHHB-UHFFFAOYSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)CC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821636245 606360890 /nfs/dbraw/zinc/36/08/90/606360890.db2.gz LBQWYKJPIZHOOZ-UHFFFAOYSA-N -1 3 368.419 -0.609 20 0 FBADHM CNS(=O)(=O)CC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821636245 606360888 /nfs/dbraw/zinc/36/08/88/606360888.db2.gz LBQWYKJPIZHOOZ-UHFFFAOYSA-N -1 3 368.419 -0.609 20 0 FBADHM CNC(=O)c1cccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000821636312 599623019 /nfs/dbraw/zinc/62/30/19/599623019.db2.gz NEOZVESEIBFRMA-UHFFFAOYSA-N -1 3 356.346 -0.138 20 0 FBADHM CNC(=O)c1cccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000821636312 599623018 /nfs/dbraw/zinc/62/30/18/599623018.db2.gz NEOZVESEIBFRMA-UHFFFAOYSA-N -1 3 356.346 -0.138 20 0 FBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821636321 606590272 /nfs/dbraw/zinc/59/02/72/606590272.db2.gz NRGGROWCLLAEGG-CYBMUJFWSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821636321 606590270 /nfs/dbraw/zinc/59/02/70/606590270.db2.gz NRGGROWCLLAEGG-CYBMUJFWSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821636322 606590364 /nfs/dbraw/zinc/59/03/64/606590364.db2.gz NRGGROWCLLAEGG-ZDUSSCGKSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821636322 606590362 /nfs/dbraw/zinc/59/03/62/606590362.db2.gz NRGGROWCLLAEGG-ZDUSSCGKSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000821636339 606590143 /nfs/dbraw/zinc/59/01/43/606590143.db2.gz OEHXIJPIHVZIEO-JTQLQIEISA-N -1 3 351.392 -0.585 20 0 FBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000821636339 606590141 /nfs/dbraw/zinc/59/01/41/606590141.db2.gz OEHXIJPIHVZIEO-JTQLQIEISA-N -1 3 351.392 -0.585 20 0 FBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000821636340 606590421 /nfs/dbraw/zinc/59/04/21/606590421.db2.gz OEHXIJPIHVZIEO-SNVBAGLBSA-N -1 3 351.392 -0.585 20 0 FBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000821636340 606590419 /nfs/dbraw/zinc/59/04/19/606590419.db2.gz OEHXIJPIHVZIEO-SNVBAGLBSA-N -1 3 351.392 -0.585 20 0 FBADHM CNS(=O)(=O)CC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000821636374 606360722 /nfs/dbraw/zinc/36/07/22/606360722.db2.gz OWIPRIABNQBKQM-UHFFFAOYSA-N -1 3 370.460 -0.235 20 0 FBADHM CNS(=O)(=O)CC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000821636374 606360720 /nfs/dbraw/zinc/36/07/20/606360720.db2.gz OWIPRIABNQBKQM-UHFFFAOYSA-N -1 3 370.460 -0.235 20 0 FBADHM CNS(=O)(=O)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000821636428 606360781 /nfs/dbraw/zinc/36/07/81/606360781.db2.gz QFGJOHBIEPZYBW-UHFFFAOYSA-N -1 3 350.404 -0.093 20 0 FBADHM CNS(=O)(=O)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000821636428 606360779 /nfs/dbraw/zinc/36/07/79/606360779.db2.gz QFGJOHBIEPZYBW-UHFFFAOYSA-N -1 3 350.404 -0.093 20 0 FBADHM CNS(=O)(=O)C[C@@H]1CCCN1c1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000821636625 606101470 /nfs/dbraw/zinc/10/14/70/606101470.db2.gz XEIBDLHOIWYMLU-JTQLQIEISA-N -1 3 352.424 -0.208 20 0 FBADHM CNS(=O)(=O)C[C@@H]1CCCN1c1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000821636625 606101468 /nfs/dbraw/zinc/10/14/68/606101468.db2.gz XEIBDLHOIWYMLU-JTQLQIEISA-N -1 3 352.424 -0.208 20 0 FBADHM CNS(=O)(=O)C[C@H]1CCCN1c1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000821636626 606101284 /nfs/dbraw/zinc/10/12/84/606101284.db2.gz XEIBDLHOIWYMLU-SNVBAGLBSA-N -1 3 352.424 -0.208 20 0 FBADHM CNS(=O)(=O)C[C@H]1CCCN1c1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000821636626 606101281 /nfs/dbraw/zinc/10/12/81/606101281.db2.gz XEIBDLHOIWYMLU-SNVBAGLBSA-N -1 3 352.424 -0.208 20 0 FBADHM CNC(=O)c1cccnc1N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821636668 606443390 /nfs/dbraw/zinc/44/33/90/606443390.db2.gz YJOURYLLCCWFGW-UHFFFAOYSA-N -1 3 356.394 -0.004 20 0 FBADHM CNS(=O)(=O)CC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821636693 606361019 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ZINC000821942536 606739462 /nfs/dbraw/zinc/73/94/62/606739462.db2.gz PFUJURRNPCVVBG-QHCPKHFHSA-N -1 3 356.795 -0.047 20 0 FBADHM C[S@](=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821942536 606739461 /nfs/dbraw/zinc/73/94/61/606739461.db2.gz PFUJURRNPCVVBG-QHCPKHFHSA-N -1 3 356.795 -0.047 20 0 FBADHM CS(=O)(=O)c1nccn1Cc1cc(=O)n2ncc(-c3nnn[n-]3)c2[nH]1 ZINC000821943201 599697403 /nfs/dbraw/zinc/69/74/03/599697403.db2.gz UEQMKQGNZHQJHY-UHFFFAOYSA-N -1 3 361.347 -0.737 20 0 FBADHM C[S@@](=O)CCN1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821943528 606598458 /nfs/dbraw/zinc/59/84/58/606598458.db2.gz VUJQVICTMPVPDU-RUZDIDTESA-N -1 3 362.459 -0.068 20 0 FBADHM C[S@@](=O)CCN1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821943528 606598456 /nfs/dbraw/zinc/59/84/56/606598456.db2.gz VUJQVICTMPVPDU-RUZDIDTESA-N -1 3 362.459 -0.068 20 0 FBADHM C[S@](=O)CCN1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821943531 606598321 /nfs/dbraw/zinc/59/83/21/606598321.db2.gz VUJQVICTMPVPDU-VWLOTQADSA-N -1 3 362.459 -0.068 20 0 FBADHM C[S@](=O)CCN1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821943531 606598319 /nfs/dbraw/zinc/59/83/19/606598319.db2.gz VUJQVICTMPVPDU-VWLOTQADSA-N -1 3 362.459 -0.068 20 0 FBADHM CS(=O)(=O)c1nccn1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821943549 606172063 /nfs/dbraw/zinc/17/20/63/606172063.db2.gz WDVZVZNTABUDHQ-UHFFFAOYSA-N -1 3 361.387 -0.217 20 0 FBADHM CS(=O)(=O)c1nccn1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821943549 606172062 /nfs/dbraw/zinc/17/20/62/606172062.db2.gz WDVZVZNTABUDHQ-UHFFFAOYSA-N -1 3 361.387 -0.217 20 0 FBADHM CS[C@H](CO)[C@@H](C)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821951390 607224906 /nfs/dbraw/zinc/22/49/06/607224906.db2.gz YBPSHZFROHQRFL-BXKDBHETSA-N -1 3 364.431 -0.175 20 0 FBADHM CS[C@H](CO)[C@@H](C)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821951390 607224905 /nfs/dbraw/zinc/22/49/05/607224905.db2.gz YBPSHZFROHQRFL-BXKDBHETSA-N -1 3 364.431 -0.175 20 0 FBADHM CS[C@@H](CO)[C@H](C)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821951391 607224848 /nfs/dbraw/zinc/22/48/48/607224848.db2.gz YBPSHZFROHQRFL-CABZTGNLSA-N -1 3 364.431 -0.175 20 0 FBADHM CS[C@@H](CO)[C@H](C)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821951391 607224847 /nfs/dbraw/zinc/22/48/47/607224847.db2.gz YBPSHZFROHQRFL-CABZTGNLSA-N -1 3 364.431 -0.175 20 0 FBADHM CS[C@H](CO)[C@H](C)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821951392 607225035 /nfs/dbraw/zinc/22/50/35/607225035.db2.gz YBPSHZFROHQRFL-JOYOIKCWSA-N -1 3 364.431 -0.175 20 0 FBADHM CS[C@H](CO)[C@H](C)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821951392 607225034 /nfs/dbraw/zinc/22/50/34/607225034.db2.gz YBPSHZFROHQRFL-JOYOIKCWSA-N -1 3 364.431 -0.175 20 0 FBADHM CS[C@@H](CO)[C@@H](C)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821951393 607225058 /nfs/dbraw/zinc/22/50/58/607225058.db2.gz YBPSHZFROHQRFL-SKDRFNHKSA-N -1 3 364.431 -0.175 20 0 FBADHM CS[C@@H](CO)[C@@H](C)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821951393 607225057 /nfs/dbraw/zinc/22/50/57/607225057.db2.gz YBPSHZFROHQRFL-SKDRFNHKSA-N 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ZINC000822043028 607275775 /nfs/dbraw/zinc/27/57/75/607275775.db2.gz AUIKWRFOEASPGX-UHFFFAOYSA-N -1 3 353.346 -0.252 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCn3cnnc3C2)cccc1-c1nnn[n-]1 ZINC000822043028 607275774 /nfs/dbraw/zinc/27/57/74/607275774.db2.gz AUIKWRFOEASPGX-UHFFFAOYSA-N -1 3 353.346 -0.252 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)cccc1-c1nn[n-]n1 ZINC000822043204 607276902 /nfs/dbraw/zinc/27/69/02/607276902.db2.gz CGGVVAZRNJCDDG-JTQLQIEISA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)cccc1-c1nnn[n-]1 ZINC000822043204 607276901 /nfs/dbraw/zinc/27/69/01/607276901.db2.gz CGGVVAZRNJCDDG-JTQLQIEISA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)cccc1-c1nn[n-]n1 ZINC000822043205 607276682 /nfs/dbraw/zinc/27/66/82/607276682.db2.gz CGGVVAZRNJCDDG-SNVBAGLBSA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)cccc1-c1nnn[n-]1 ZINC000822043205 607276681 /nfs/dbraw/zinc/27/66/81/607276681.db2.gz 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Cc1c(NC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)cccc1-c1nnn[n-]1 ZINC000822043436 607275780 /nfs/dbraw/zinc/27/57/80/607275780.db2.gz DRNPTUSGKJIZBO-QMMMGPOBSA-N -1 3 366.403 -0.337 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H](C)Cn2cncn2)cccc1-c1nn[n-]n1 ZINC000822043694 607278301 /nfs/dbraw/zinc/27/83/01/607278301.db2.gz GJHJHYHFCMJJFX-SECBINFHSA-N -1 3 355.362 -0.090 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H](C)Cn2cncn2)cccc1-c1nnn[n-]1 ZINC000822043694 607278300 /nfs/dbraw/zinc/27/83/00/607278300.db2.gz GJHJHYHFCMJJFX-SECBINFHSA-N -1 3 355.362 -0.090 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H](C)Cn2cncn2)cccc1-c1nn[n-]n1 ZINC000822043696 607278351 /nfs/dbraw/zinc/27/83/51/607278351.db2.gz GJHJHYHFCMJJFX-VIFPVBQESA-N -1 3 355.362 -0.090 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H](C)Cn2cncn2)cccc1-c1nnn[n-]1 ZINC000822043696 607278350 /nfs/dbraw/zinc/27/83/50/607278350.db2.gz GJHJHYHFCMJJFX-VIFPVBQESA-N -1 3 355.362 -0.090 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)cccc1-c1nn[n-]n1 ZINC000822044464 607278445 /nfs/dbraw/zinc/27/84/45/607278445.db2.gz KOFVYPXZNVKJLE-LLVKDONJSA-N -1 3 373.417 -0.361 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)cccc1-c1nnn[n-]1 ZINC000822044464 607278444 /nfs/dbraw/zinc/27/84/44/607278444.db2.gz KOFVYPXZNVKJLE-LLVKDONJSA-N -1 3 373.417 -0.361 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCN(C[C@H](C)O)CC2)cccc1-c1nn[n-]n1 ZINC000822044465 607278378 /nfs/dbraw/zinc/27/83/78/607278378.db2.gz KOFVYPXZNVKJLE-NSHDSACASA-N -1 3 373.417 -0.361 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCN(C[C@H](C)O)CC2)cccc1-c1nnn[n-]1 ZINC000822044465 607278377 /nfs/dbraw/zinc/27/83/77/607278377.db2.gz KOFVYPXZNVKJLE-NSHDSACASA-N -1 3 373.417 -0.361 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H](C)CN2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822044720 607272891 /nfs/dbraw/zinc/27/28/91/607272891.db2.gz LZAOCYXNWIQUOK-LLVKDONJSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H](C)CN2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822044720 607272890 /nfs/dbraw/zinc/27/28/90/607272890.db2.gz LZAOCYXNWIQUOK-LLVKDONJSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H](C)CN2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822044726 607272822 /nfs/dbraw/zinc/27/28/22/607272822.db2.gz LZAOCYXNWIQUOK-NSHDSACASA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H](C)CN2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822044726 607272821 /nfs/dbraw/zinc/27/28/21/607272821.db2.gz LZAOCYXNWIQUOK-NSHDSACASA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cccc1-c1nn[n-]n1 ZINC000822044740 607279230 /nfs/dbraw/zinc/27/92/30/607279230.db2.gz MJEPGHUUSKIYAC-JTQLQIEISA-N -1 3 369.385 -0.007 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cccc1-c1nnn[n-]1 ZINC000822044740 607279229 /nfs/dbraw/zinc/27/92/29/607279229.db2.gz MJEPGHUUSKIYAC-JTQLQIEISA-N -1 3 369.385 -0.007 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cccc1-c1nn[n-]n1 ZINC000822044741 607279278 /nfs/dbraw/zinc/27/92/78/607279278.db2.gz MJEPGHUUSKIYAC-SNVBAGLBSA-N -1 3 369.385 -0.007 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cccc1-c1nnn[n-]1 ZINC000822044741 607279277 /nfs/dbraw/zinc/27/92/77/607279277.db2.gz MJEPGHUUSKIYAC-SNVBAGLBSA-N -1 3 369.385 -0.007 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cccc1-c1nn[n-]n1 ZINC000822045131 607279781 /nfs/dbraw/zinc/27/97/81/607279781.db2.gz PCNLXAKSDQYERX-KBPBESRZSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cccc1-c1nnn[n-]1 ZINC000822045131 607279780 /nfs/dbraw/zinc/27/97/80/607279780.db2.gz PCNLXAKSDQYERX-KBPBESRZSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)cccc1-c1nn[n-]n1 ZINC000822045132 607279659 /nfs/dbraw/zinc/27/96/59/607279659.db2.gz PCNLXAKSDQYERX-KGLIPLIRSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)cccc1-c1nnn[n-]1 ZINC000822045132 607279658 /nfs/dbraw/zinc/27/96/58/607279658.db2.gz PCNLXAKSDQYERX-KGLIPLIRSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)cccc1-c1nn[n-]n1 ZINC000822045133 607279656 /nfs/dbraw/zinc/27/96/56/607279656.db2.gz PCNLXAKSDQYERX-UONOGXRCSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)cccc1-c1nnn[n-]1 ZINC000822045133 607279655 /nfs/dbraw/zinc/27/96/55/607279655.db2.gz PCNLXAKSDQYERX-UONOGXRCSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cccc1-c1nn[n-]n1 ZINC000822045134 607279886 /nfs/dbraw/zinc/27/98/86/607279886.db2.gz PCNLXAKSDQYERX-ZIAGYGMSSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cccc1-c1nnn[n-]1 ZINC000822045134 607279885 /nfs/dbraw/zinc/27/98/85/607279885.db2.gz PCNLXAKSDQYERX-ZIAGYGMSSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@H](CO)OC[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822045367 607279766 /nfs/dbraw/zinc/27/97/66/607279766.db2.gz PYSUCNQLVOGWCN-GXSJLCMTSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@H](CO)OC[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822045367 607279765 /nfs/dbraw/zinc/27/97/65/607279765.db2.gz PYSUCNQLVOGWCN-GXSJLCMTSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@@H](CO)OC[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822045368 607279671 /nfs/dbraw/zinc/27/96/71/607279671.db2.gz PYSUCNQLVOGWCN-KOLCDFICSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@@H](CO)OC[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822045368 607279670 /nfs/dbraw/zinc/27/96/70/607279670.db2.gz PYSUCNQLVOGWCN-KOLCDFICSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@H](CO)OC[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822045369 607279722 /nfs/dbraw/zinc/27/97/22/607279722.db2.gz PYSUCNQLVOGWCN-MWLCHTKSSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@H](CO)OC[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822045369 607279721 /nfs/dbraw/zinc/27/97/21/607279721.db2.gz PYSUCNQLVOGWCN-MWLCHTKSSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@@H](CO)OC[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822045370 607279719 /nfs/dbraw/zinc/27/97/19/607279719.db2.gz PYSUCNQLVOGWCN-ONGXEEELSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1c(NC(=O)C(=O)N2C[C@@H](CO)OC[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822045370 607279718 /nfs/dbraw/zinc/27/97/18/607279718.db2.gz PYSUCNQLVOGWCN-ONGXEEELSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCC(C(N)=O)CC2)cccc1-c1nn[n-]n1 ZINC000822045457 607272867 /nfs/dbraw/zinc/27/28/67/607272867.db2.gz RIFBUGIJPLUQEJ-UHFFFAOYSA-N -1 3 357.374 -0.162 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCC(C(N)=O)CC2)cccc1-c1nnn[n-]1 ZINC000822045457 607272866 /nfs/dbraw/zinc/27/28/66/607272866.db2.gz RIFBUGIJPLUQEJ-UHFFFAOYSA-N -1 3 357.374 -0.162 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cccc1-c1nn[n-]n1 ZINC000822045492 607293382 /nfs/dbraw/zinc/29/33/82/607293382.db2.gz RUEYYVCFOQTVCL-BXUZGUMPSA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cccc1-c1nn[n-]n1 ZINC000822045493 607293448 /nfs/dbraw/zinc/29/34/48/607293448.db2.gz RUEYYVCFOQTVCL-FZMZJTMJSA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cccc1-c1nn[n-]n1 ZINC000822045494 607293353 /nfs/dbraw/zinc/29/33/53/607293353.db2.gz RUEYYVCFOQTVCL-RISCZKNCSA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cccc1-c1nn[n-]n1 ZINC000822045496 607293481 /nfs/dbraw/zinc/29/34/81/607293481.db2.gz RUEYYVCFOQTVCL-SMDDNHRTSA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cccc1-c1nn[n-]n1 ZINC000822045498 607279338 /nfs/dbraw/zinc/27/93/38/607279338.db2.gz RUPMQASUMGAVOW-JTQLQIEISA-N -1 3 370.373 -0.650 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cccc1-c1nnn[n-]1 ZINC000822045498 607279337 /nfs/dbraw/zinc/27/93/37/607279337.db2.gz RUPMQASUMGAVOW-JTQLQIEISA-N -1 3 370.373 -0.650 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cccc1-c1nn[n-]n1 ZINC000822045503 607279121 /nfs/dbraw/zinc/27/91/21/607279121.db2.gz RUPMQASUMGAVOW-SNVBAGLBSA-N -1 3 370.373 -0.650 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cccc1-c1nnn[n-]1 ZINC000822045503 607279120 /nfs/dbraw/zinc/27/91/20/607279120.db2.gz RUPMQASUMGAVOW-SNVBAGLBSA-N -1 3 370.373 -0.650 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cccc1-c1nn[n-]n1 ZINC000822046023 607276786 /nfs/dbraw/zinc/27/67/86/607276786.db2.gz WHNTZCRUGLXVTO-UHFFFAOYSA-N -1 3 364.387 -0.629 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cccc1-c1nnn[n-]1 ZINC000822046023 607276785 /nfs/dbraw/zinc/27/67/85/607276785.db2.gz WHNTZCRUGLXVTO-UHFFFAOYSA-N -1 3 364.387 -0.629 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cccc1-c1nn[n-]n1 ZINC000822046114 607279897 /nfs/dbraw/zinc/27/98/97/607279897.db2.gz YCYMEIMRJMBTIV-JTQLQIEISA-N -1 3 371.357 -0.223 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cccc1-c1nnn[n-]1 ZINC000822046114 607279896 /nfs/dbraw/zinc/27/98/96/607279896.db2.gz YCYMEIMRJMBTIV-JTQLQIEISA-N -1 3 371.357 -0.223 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cccc1-c1nn[n-]n1 ZINC000822046115 607279653 /nfs/dbraw/zinc/27/96/53/607279653.db2.gz YCYMEIMRJMBTIV-SNVBAGLBSA-N -1 3 371.357 -0.223 20 0 FBADHM Cc1c(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cccc1-c1nnn[n-]1 ZINC000822046115 607279652 /nfs/dbraw/zinc/27/96/52/607279652.db2.gz YCYMEIMRJMBTIV-SNVBAGLBSA-N -1 3 371.357 -0.223 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCN2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822052190 607271385 /nfs/dbraw/zinc/27/13/85/607271385.db2.gz AGBYHMVXWBWNPF-UHFFFAOYSA-N -1 3 359.390 -0.438 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCN2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822052190 607271384 /nfs/dbraw/zinc/27/13/84/607271384.db2.gz AGBYHMVXWBWNPF-UHFFFAOYSA-N -1 3 359.390 -0.438 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCNC(=O)C2CC2)cccc1-c1nn[n-]n1 ZINC000822052246 607272343 /nfs/dbraw/zinc/27/23/43/607272343.db2.gz ASPWNHMFLINCOM-UHFFFAOYSA-N -1 3 357.374 -0.244 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCNC(=O)C2CC2)cccc1-c1nnn[n-]1 ZINC000822052246 607272342 /nfs/dbraw/zinc/27/23/42/607272342.db2.gz ASPWNHMFLINCOM-UHFFFAOYSA-N -1 3 357.374 -0.244 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCCN2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822052285 607271436 /nfs/dbraw/zinc/27/14/36/607271436.db2.gz BHBDVIPYZMDDQX-UHFFFAOYSA-N -1 3 373.417 -0.048 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cccc1-c1nn[n-]n1 ZINC000822052336 607279665 /nfs/dbraw/zinc/27/96/65/607279665.db2.gz BZARLCWPLXEXKH-BXKDBHETSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cccc1-c1nnn[n-]1 ZINC000822052336 607279664 /nfs/dbraw/zinc/27/96/64/607279664.db2.gz BZARLCWPLXEXKH-BXKDBHETSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cccc1-c1nn[n-]n1 ZINC000822052339 607279908 /nfs/dbraw/zinc/27/99/08/607279908.db2.gz BZARLCWPLXEXKH-CABZTGNLSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cccc1-c1nnn[n-]1 ZINC000822052339 607279907 /nfs/dbraw/zinc/27/99/07/607279907.db2.gz BZARLCWPLXEXKH-CABZTGNLSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cccc1-c1nn[n-]n1 ZINC000822052341 607279814 /nfs/dbraw/zinc/27/98/14/607279814.db2.gz BZARLCWPLXEXKH-JOYOIKCWSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cccc1-c1nnn[n-]1 ZINC000822052341 607279813 /nfs/dbraw/zinc/27/98/13/607279813.db2.gz BZARLCWPLXEXKH-JOYOIKCWSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cccc1-c1nn[n-]n1 ZINC000822052343 607279892 /nfs/dbraw/zinc/27/98/92/607279892.db2.gz BZARLCWPLXEXKH-SKDRFNHKSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cccc1-c1nnn[n-]1 ZINC000822052343 607279891 /nfs/dbraw/zinc/27/98/91/607279891.db2.gz BZARLCWPLXEXKH-SKDRFNHKSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cccc1-c1nn[n-]n1 ZINC000822052639 607277104 /nfs/dbraw/zinc/27/71/04/607277104.db2.gz FNFBMIVELXDCHZ-UHFFFAOYSA-N -1 3 371.357 -0.621 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cccc1-c1nnn[n-]1 ZINC000822052639 607277103 /nfs/dbraw/zinc/27/71/03/607277103.db2.gz FNFBMIVELXDCHZ-UHFFFAOYSA-N -1 3 371.357 -0.621 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCCn2cncn2)cccc1-c1nn[n-]n1 ZINC000822052944 607272287 /nfs/dbraw/zinc/27/22/87/607272287.db2.gz IKTZEHVVQPJRLI-UHFFFAOYSA-N -1 3 355.362 -0.088 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCCn2cncn2)cccc1-c1nnn[n-]1 ZINC000822052944 607272286 /nfs/dbraw/zinc/27/22/86/607272286.db2.gz IKTZEHVVQPJRLI-UHFFFAOYSA-N -1 3 355.362 -0.088 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)cnn1C ZINC000822053029 606836580 /nfs/dbraw/zinc/83/65/80/606836580.db2.gz JIJODATYEUMNKJ-UHFFFAOYSA-N -1 3 370.377 -0.530 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)cnn1C ZINC000822053029 606836578 /nfs/dbraw/zinc/83/65/78/606836578.db2.gz JIJODATYEUMNKJ-UHFFFAOYSA-N -1 3 370.377 -0.530 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCN2CCO[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822053045 607275374 /nfs/dbraw/zinc/27/53/74/607275374.db2.gz JQBULNGLXRWZDV-LLVKDONJSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCN2CCO[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822053045 607275373 /nfs/dbraw/zinc/27/53/73/607275373.db2.gz JQBULNGLXRWZDV-LLVKDONJSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCN2CCO[C@@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822053046 607275255 /nfs/dbraw/zinc/27/52/55/607275255.db2.gz JQBULNGLXRWZDV-NSHDSACASA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCN2CCO[C@@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822053046 607275254 /nfs/dbraw/zinc/27/52/54/607275254.db2.gz JQBULNGLXRWZDV-NSHDSACASA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCCS(C)(=O)=O)cccc1-c1nn[n-]n1 ZINC000822053169 607277012 /nfs/dbraw/zinc/27/70/12/607277012.db2.gz KEXFNADSXDCZPQ-UHFFFAOYSA-N -1 3 366.403 -0.335 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCCS(C)(=O)=O)cccc1-c1nnn[n-]1 ZINC000822053169 607277011 /nfs/dbraw/zinc/27/70/11/607277011.db2.gz KEXFNADSXDCZPQ-UHFFFAOYSA-N -1 3 366.403 -0.335 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822053441 607272250 /nfs/dbraw/zinc/27/22/50/607272250.db2.gz NJVPJKYOXZHWAU-LLVKDONJSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822053441 607272249 /nfs/dbraw/zinc/27/22/49/607272249.db2.gz NJVPJKYOXZHWAU-LLVKDONJSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822053443 607272278 /nfs/dbraw/zinc/27/22/78/607272278.db2.gz NJVPJKYOXZHWAU-NSHDSACASA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822053443 607272277 /nfs/dbraw/zinc/27/22/77/607272277.db2.gz NJVPJKYOXZHWAU-NSHDSACASA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cccc1-c1nn[n-]n1 ZINC000822053469 607278536 /nfs/dbraw/zinc/27/85/36/607278536.db2.gz NQLNTZJUDFJOGN-JTQLQIEISA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cccc1-c1nnn[n-]1 ZINC000822053469 607278535 /nfs/dbraw/zinc/27/85/35/607278535.db2.gz NQLNTZJUDFJOGN-JTQLQIEISA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cccc1-c1nn[n-]n1 ZINC000822053472 607278546 /nfs/dbraw/zinc/27/85/46/607278546.db2.gz NQLNTZJUDFJOGN-SNVBAGLBSA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cccc1-c1nnn[n-]1 ZINC000822053472 607278545 /nfs/dbraw/zinc/27/85/45/607278545.db2.gz NQLNTZJUDFJOGN-SNVBAGLBSA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCN2CCOC[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822053487 607275234 /nfs/dbraw/zinc/27/52/34/607275234.db2.gz NYNUOUOBAZARSW-LLVKDONJSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCN2CCOC[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822053487 607275233 /nfs/dbraw/zinc/27/52/33/607275233.db2.gz NYNUOUOBAZARSW-LLVKDONJSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822053488 607275282 /nfs/dbraw/zinc/27/52/82/607275282.db2.gz NYNUOUOBAZARSW-NSHDSACASA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822053488 607275281 /nfs/dbraw/zinc/27/52/81/607275281.db2.gz NYNUOUOBAZARSW-NSHDSACASA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1c(NC(=O)C(=O)NCC2(O)CCOCC2)cccc1-c1nn[n-]n1 ZINC000822053595 607277015 /nfs/dbraw/zinc/27/70/15/607277015.db2.gz OYLPTKMXUAHHCD-UHFFFAOYSA-N -1 3 360.374 -0.229 20 0 FBADHM Cc1c(NC(=O)C(=O)NCC2(O)CCOCC2)cccc1-c1nnn[n-]1 ZINC000822053595 607277014 /nfs/dbraw/zinc/27/70/14/607277014.db2.gz OYLPTKMXUAHHCD-UHFFFAOYSA-N -1 3 360.374 -0.229 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cccc1-c1nn[n-]n1 ZINC000822053627 607277029 /nfs/dbraw/zinc/27/70/29/607277029.db2.gz PIBXIVMDQIHBIP-LLVKDONJSA-N -1 3 359.390 -0.440 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cccc1-c1nnn[n-]1 ZINC000822053627 607277028 /nfs/dbraw/zinc/27/70/28/607277028.db2.gz PIBXIVMDQIHBIP-LLVKDONJSA-N -1 3 359.390 -0.440 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cccc1-c1nn[n-]n1 ZINC000822053632 607277068 /nfs/dbraw/zinc/27/70/68/607277068.db2.gz PIBXIVMDQIHBIP-NSHDSACASA-N -1 3 359.390 -0.440 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cccc1-c1nnn[n-]1 ZINC000822053632 607277067 /nfs/dbraw/zinc/27/70/67/607277067.db2.gz PIBXIVMDQIHBIP-NSHDSACASA-N -1 3 359.390 -0.440 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cnn1C ZINC000822053652 606836522 /nfs/dbraw/zinc/83/65/22/606836522.db2.gz PPZFWLBEAZEHJE-UHFFFAOYSA-N -1 3 370.377 -0.530 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cnn1C ZINC000822053652 606836520 /nfs/dbraw/zinc/83/65/20/606836520.db2.gz PPZFWLBEAZEHJE-UHFFFAOYSA-N -1 3 370.377 -0.530 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@@H](O)c2cnn(C)c2)cccc1-c1nn[n-]n1 ZINC000822054137 607277890 /nfs/dbraw/zinc/27/78/90/607277890.db2.gz UWXROYBFUBITAS-CYBMUJFWSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@@H](O)c2cnn(C)c2)cccc1-c1nnn[n-]1 ZINC000822054137 607277889 /nfs/dbraw/zinc/27/78/89/607277889.db2.gz UWXROYBFUBITAS-CYBMUJFWSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@H](O)c2cnn(C)c2)cccc1-c1nn[n-]n1 ZINC000822054141 607278002 /nfs/dbraw/zinc/27/80/02/607278002.db2.gz UWXROYBFUBITAS-ZDUSSCGKSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1c(NC(=O)C(=O)NC[C@H](O)c2cnn(C)c2)cccc1-c1nnn[n-]1 ZINC000822054141 607278001 /nfs/dbraw/zinc/27/80/01/607278001.db2.gz UWXROYBFUBITAS-ZDUSSCGKSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)cccc1-c1nn[n-]n1 ZINC000822054251 607274801 /nfs/dbraw/zinc/27/48/01/607274801.db2.gz WQAXVNLFENMAFL-GFCCVEGCSA-N -1 3 357.374 -0.101 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)cccc1-c1nnn[n-]1 ZINC000822054251 607274800 /nfs/dbraw/zinc/27/48/00/607274800.db2.gz WQAXVNLFENMAFL-GFCCVEGCSA-N -1 3 357.374 -0.101 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H]2CCCCNC2=O)cccc1-c1nn[n-]n1 ZINC000822054255 607274742 /nfs/dbraw/zinc/27/47/42/607274742.db2.gz WQAXVNLFENMAFL-LBPRGKRZSA-N -1 3 357.374 -0.101 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H]2CCCCNC2=O)cccc1-c1nnn[n-]1 ZINC000822054255 607274741 /nfs/dbraw/zinc/27/47/41/607274741.db2.gz WQAXVNLFENMAFL-LBPRGKRZSA-N -1 3 357.374 -0.101 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)cccc1-c1nn[n-]n1 ZINC000822054316 607278656 /nfs/dbraw/zinc/27/86/56/607278656.db2.gz XLHJMJFSCKMGBS-GFCCVEGCSA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)cccc1-c1nnn[n-]1 ZINC000822054316 607278655 /nfs/dbraw/zinc/27/86/55/607278655.db2.gz XLHJMJFSCKMGBS-GFCCVEGCSA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H]2CCCN(C)C2=O)cccc1-c1nn[n-]n1 ZINC000822054317 607278463 /nfs/dbraw/zinc/27/84/63/607278463.db2.gz XLHJMJFSCKMGBS-LBPRGKRZSA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1c(NC(=O)C(=O)N[C@H]2CCCN(C)C2=O)cccc1-c1nnn[n-]1 ZINC000822054317 607278462 /nfs/dbraw/zinc/27/84/62/607278462.db2.gz XLHJMJFSCKMGBS-LBPRGKRZSA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCS(C)(=O)=O)cccc1-c1nn[n-]n1 ZINC000822054383 607277138 /nfs/dbraw/zinc/27/71/38/607277138.db2.gz YBISWYHIRFMFTA-UHFFFAOYSA-N -1 3 352.376 -0.726 20 0 FBADHM Cc1c(NC(=O)C(=O)NCCS(C)(=O)=O)cccc1-c1nnn[n-]1 ZINC000822054383 607277137 /nfs/dbraw/zinc/27/71/37/607277137.db2.gz YBISWYHIRFMFTA-UHFFFAOYSA-N -1 3 352.376 -0.726 20 0 FBADHM Cc1c(NC(=O)C(=O)NCc2nnnn2C2CC2)cccc1-c1nn[n-]n1 ZINC000822061702 607278005 /nfs/dbraw/zinc/27/80/05/607278005.db2.gz VIVRSOLFUKXQII-UHFFFAOYSA-N -1 3 368.361 -0.249 20 0 FBADHM Cc1c(NC(=O)C(=O)NCc2nnnn2C2CC2)cccc1-c1nnn[n-]1 ZINC000822061702 607278004 /nfs/dbraw/zinc/27/80/04/607278004.db2.gz VIVRSOLFUKXQII-UHFFFAOYSA-N -1 3 368.361 -0.249 20 0 FBADHM Cc1c(NC(=O)CN2CCS(=O)(=O)CC2)cccc1-c1nn[n-]n1 ZINC000822067538 607295711 /nfs/dbraw/zinc/29/57/11/607295711.db2.gz KUWDGYYDYZDYPQ-UHFFFAOYSA-N -1 3 350.404 -0.156 20 0 FBADHM Cc1c(NC(=O)CN2CCS(=O)(=O)CC2)cccc1-c1nnn[n-]1 ZINC000822067538 607295710 /nfs/dbraw/zinc/29/57/10/607295710.db2.gz KUWDGYYDYZDYPQ-UHFFFAOYSA-N -1 3 350.404 -0.156 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC(NC(N)=O)CC1 ZINC000822143322 606845935 /nfs/dbraw/zinc/84/59/35/606845935.db2.gz BGTQWESISCVPJZ-UHFFFAOYSA-N -1 3 365.419 -0.003 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC(NC(N)=O)CC1 ZINC000822143322 606845933 /nfs/dbraw/zinc/84/59/33/606845933.db2.gz BGTQWESISCVPJZ-UHFFFAOYSA-N -1 3 365.419 -0.003 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000822144580 607251408 /nfs/dbraw/zinc/25/14/08/607251408.db2.gz MSTDIUNGOWZSPY-CMPLNLGQSA-N -1 3 353.404 -0.055 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000822144580 607251407 /nfs/dbraw/zinc/25/14/07/607251407.db2.gz MSTDIUNGOWZSPY-CMPLNLGQSA-N -1 3 353.404 -0.055 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1C[C@@H](CO)OC[C@@H]1C ZINC000822144589 607251171 /nfs/dbraw/zinc/25/11/71/607251171.db2.gz MSTDIUNGOWZSPY-JQWIXIFHSA-N -1 3 353.404 -0.055 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1C[C@@H](CO)OC[C@@H]1C ZINC000822144589 607251170 /nfs/dbraw/zinc/25/11/70/607251170.db2.gz MSTDIUNGOWZSPY-JQWIXIFHSA-N -1 3 353.404 -0.055 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1C[C@@H](CO)OC[C@H]1C ZINC000822144591 607251354 /nfs/dbraw/zinc/25/13/54/607251354.db2.gz MSTDIUNGOWZSPY-PWSUYJOCSA-N -1 3 353.404 -0.055 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1C[C@@H](CO)OC[C@H]1C ZINC000822144591 607251353 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606611627 /nfs/dbraw/zinc/61/16/27/606611627.db2.gz FMNWHVNZWLFTQX-NSHDSACASA-N -1 3 369.385 -0.007 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000822216112 606611625 /nfs/dbraw/zinc/61/16/25/606611625.db2.gz FMNWHVNZWLFTQX-NSHDSACASA-N -1 3 369.385 -0.007 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)Cn1cncn1 ZINC000822216188 606606756 /nfs/dbraw/zinc/60/67/56/606606756.db2.gz HZPCODLAOHPJFE-JTQLQIEISA-N -1 3 355.362 -0.090 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)Cn1cncn1 ZINC000822216188 606606754 /nfs/dbraw/zinc/60/67/54/606606754.db2.gz HZPCODLAOHPJFE-JTQLQIEISA-N -1 3 355.362 -0.090 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)Cn1cncn1 ZINC000822216189 606606700 /nfs/dbraw/zinc/60/67/00/606606700.db2.gz HZPCODLAOHPJFE-SNVBAGLBSA-N -1 3 355.362 -0.090 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)Cn1cncn1 ZINC000822216189 606606699 /nfs/dbraw/zinc/60/66/99/606606699.db2.gz HZPCODLAOHPJFE-SNVBAGLBSA-N -1 3 355.362 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599610465 /nfs/dbraw/zinc/61/04/65/599610465.db2.gz OYWHBDUZBKPPGE-CYBMUJFWSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)c1cnn(C)c1 ZINC000822216443 599610401 /nfs/dbraw/zinc/61/04/01/599610401.db2.gz OYWHBDUZBKPPGE-ZDUSSCGKSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)c1cnn(C)c1 ZINC000822216443 599610398 /nfs/dbraw/zinc/61/03/98/599610398.db2.gz OYWHBDUZBKPPGE-ZDUSSCGKSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000822216469 607141281 /nfs/dbraw/zinc/14/12/81/607141281.db2.gz PUOYKSHHLVYFFZ-CMPLNLGQSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000822216469 607141280 /nfs/dbraw/zinc/14/12/80/607141280.db2.gz PUOYKSHHLVYFFZ-CMPLNLGQSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000822216470 607141200 /nfs/dbraw/zinc/14/12/00/607141200.db2.gz PUOYKSHHLVYFFZ-JQWIXIFHSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000822216470 607141199 /nfs/dbraw/zinc/14/11/99/607141199.db2.gz PUOYKSHHLVYFFZ-JQWIXIFHSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000822216471 607141029 /nfs/dbraw/zinc/14/10/29/607141029.db2.gz PUOYKSHHLVYFFZ-PWSUYJOCSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000822216471 607141028 /nfs/dbraw/zinc/14/10/28/607141028.db2.gz PUOYKSHHLVYFFZ-PWSUYJOCSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000822216472 607140999 /nfs/dbraw/zinc/14/09/99/607140999.db2.gz PUOYKSHHLVYFFZ-ZYHUDNBSSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000822216472 607140998 /nfs/dbraw/zinc/14/09/98/607140998.db2.gz PUOYKSHHLVYFFZ-ZYHUDNBSSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000822216508 606386196 /nfs/dbraw/zinc/38/61/96/606386196.db2.gz QUZZLYMQOMGWCE-UHFFFAOYSA-N -1 3 369.385 -0.053 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000822216508 606386194 /nfs/dbraw/zinc/38/61/94/606386194.db2.gz QUZZLYMQOMGWCE-UHFFFAOYSA-N -1 3 369.385 -0.053 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1nnnn1C1CC1 ZINC000822216511 599616744 /nfs/dbraw/zinc/61/67/44/599616744.db2.gz QWDURXXFSLLQIT-UHFFFAOYSA-N -1 3 368.361 -0.249 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1nnnn1C1CC1 ZINC000822216511 599616743 /nfs/dbraw/zinc/61/67/43/599616743.db2.gz QWDURXXFSLLQIT-UHFFFAOYSA-N -1 3 368.361 -0.249 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCCCNC1=O ZINC000822216539 606119683 /nfs/dbraw/zinc/11/96/83/606119683.db2.gz ROSJXJQNDCFDTK-LLVKDONJSA-N -1 3 357.374 -0.101 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCCCNC1=O ZINC000822216539 606119682 /nfs/dbraw/zinc/11/96/82/606119682.db2.gz ROSJXJQNDCFDTK-LLVKDONJSA-N -1 3 357.374 -0.101 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCCCNC1=O ZINC000822216540 606119568 /nfs/dbraw/zinc/11/95/68/606119568.db2.gz ROSJXJQNDCFDTK-NSHDSACASA-N -1 3 357.374 -0.101 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCCCNC1=O ZINC000822216540 606119567 /nfs/dbraw/zinc/11/95/67/606119567.db2.gz ROSJXJQNDCFDTK-NSHDSACASA-N -1 3 357.374 -0.101 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000822216605 606386107 /nfs/dbraw/zinc/38/61/07/606386107.db2.gz UHFNDKVQYGKRIG-LLVKDONJSA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000822216605 606386105 /nfs/dbraw/zinc/38/61/05/606386105.db2.gz UHFNDKVQYGKRIG-LLVKDONJSA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000822216606 606386347 /nfs/dbraw/zinc/38/63/47/606386347.db2.gz UHFNDKVQYGKRIG-NSHDSACASA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000822216606 606386346 /nfs/dbraw/zinc/38/63/46/606386346.db2.gz UHFNDKVQYGKRIG-NSHDSACASA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000822216623 606966698 /nfs/dbraw/zinc/96/66/98/606966698.db2.gz UWGVIJIINGIANO-LLVKDONJSA-N -1 3 371.357 -0.223 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000822216623 606966696 /nfs/dbraw/zinc/96/66/96/606966696.db2.gz UWGVIJIINGIANO-LLVKDONJSA-N -1 3 371.357 -0.223 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000822216624 606966577 /nfs/dbraw/zinc/96/65/77/606966577.db2.gz UWGVIJIINGIANO-NSHDSACASA-N -1 3 371.357 -0.223 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000822216624 606966575 /nfs/dbraw/zinc/96/65/75/606966575.db2.gz UWGVIJIINGIANO-NSHDSACASA-N -1 3 371.357 -0.223 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000822216658 607293776 /nfs/dbraw/zinc/29/37/76/607293776.db2.gz VZVBLITWDOXUSJ-BXUZGUMPSA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000822216659 607293713 /nfs/dbraw/zinc/29/37/13/607293713.db2.gz VZVBLITWDOXUSJ-FZMZJTMJSA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000822216660 607293729 /nfs/dbraw/zinc/29/37/29/607293729.db2.gz VZVBLITWDOXUSJ-RISCZKNCSA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000822216661 607293742 /nfs/dbraw/zinc/29/37/42/607293742.db2.gz VZVBLITWDOXUSJ-SMDDNHRTSA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000822216757 606460393 /nfs/dbraw/zinc/46/03/93/606460393.db2.gz YNPGSWOBIDRWBW-LLVKDONJSA-N -1 3 370.373 -0.650 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000822216757 606460391 /nfs/dbraw/zinc/46/03/91/606460391.db2.gz YNPGSWOBIDRWBW-LLVKDONJSA-N -1 3 370.373 -0.650 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000822216758 606460441 /nfs/dbraw/zinc/46/04/41/606460441.db2.gz YNPGSWOBIDRWBW-NSHDSACASA-N -1 3 370.373 -0.650 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000822216758 606460440 /nfs/dbraw/zinc/46/04/40/606460440.db2.gz YNPGSWOBIDRWBW-NSHDSACASA-N -1 3 370.373 -0.650 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000822216774 606610193 /nfs/dbraw/zinc/61/01/93/606610193.db2.gz ZDXGZRHTSHAPOT-GFCCVEGCSA-N -1 3 373.417 -0.361 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000822216774 606610191 /nfs/dbraw/zinc/61/01/91/606610191.db2.gz ZDXGZRHTSHAPOT-GFCCVEGCSA-N -1 3 373.417 -0.361 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000822216775 606610325 /nfs/dbraw/zinc/61/03/25/606610325.db2.gz ZDXGZRHTSHAPOT-LBPRGKRZSA-N -1 3 373.417 -0.361 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000822216775 606610323 /nfs/dbraw/zinc/61/03/23/606610323.db2.gz ZDXGZRHTSHAPOT-LBPRGKRZSA-N -1 3 373.417 -0.361 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC(NC(N)=O)CC1 ZINC000822222310 606337324 /nfs/dbraw/zinc/33/73/24/606337324.db2.gz CDORZICYTAHOAH-UHFFFAOYSA-N -1 3 365.419 -0.003 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC(NC(N)=O)CC1 ZINC000822222310 606337323 /nfs/dbraw/zinc/33/73/23/606337323.db2.gz CDORZICYTAHOAH-UHFFFAOYSA-N -1 3 365.419 -0.003 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000822222361 606738491 /nfs/dbraw/zinc/73/84/91/606738491.db2.gz DUVPHGYFKQUWDT-CHWSQXEVSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000822222361 606738489 /nfs/dbraw/zinc/73/84/89/606738489.db2.gz DUVPHGYFKQUWDT-CHWSQXEVSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000822222362 606738477 /nfs/dbraw/zinc/73/84/77/606738477.db2.gz DUVPHGYFKQUWDT-OLZOCXBDSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000822222362 606738475 /nfs/dbraw/zinc/73/84/75/606738475.db2.gz DUVPHGYFKQUWDT-OLZOCXBDSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000822222363 606738348 /nfs/dbraw/zinc/73/83/48/606738348.db2.gz DUVPHGYFKQUWDT-QWHCGFSZSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000822222363 606738347 /nfs/dbraw/zinc/73/83/47/606738347.db2.gz DUVPHGYFKQUWDT-QWHCGFSZSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000822222364 606738403 /nfs/dbraw/zinc/73/84/03/606738403.db2.gz DUVPHGYFKQUWDT-STQMWFEESA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000822222364 606738401 /nfs/dbraw/zinc/73/84/01/606738401.db2.gz DUVPHGYFKQUWDT-STQMWFEESA-N -1 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ZINC000822223918 607259796 /nfs/dbraw/zinc/25/97/96/607259796.db2.gz PBVPISLSMUBKCB-UHFFFAOYSA-N -1 3 366.403 -0.512 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC1(C(N)=O)CCOCC1 ZINC000822223918 607259795 /nfs/dbraw/zinc/25/97/95/607259795.db2.gz PBVPISLSMUBKCB-UHFFFAOYSA-N -1 3 366.403 -0.512 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000822224018 607127832 /nfs/dbraw/zinc/12/78/32/607127832.db2.gz STAVRUUHRVGIJN-GHMZBOCLSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000822224018 607127831 /nfs/dbraw/zinc/12/78/31/607127831.db2.gz STAVRUUHRVGIJN-GHMZBOCLSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000822224019 607127992 /nfs/dbraw/zinc/12/79/92/607127992.db2.gz STAVRUUHRVGIJN-MNOVXSKESA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000822224019 607127991 /nfs/dbraw/zinc/12/79/91/607127991.db2.gz STAVRUUHRVGIJN-MNOVXSKESA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000822224020 607127745 /nfs/dbraw/zinc/12/77/45/607127745.db2.gz STAVRUUHRVGIJN-QWRGUYRKSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000822224020 607127743 /nfs/dbraw/zinc/12/77/43/607127743.db2.gz STAVRUUHRVGIJN-QWRGUYRKSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000822224021 607128118 /nfs/dbraw/zinc/12/81/18/607128118.db2.gz STAVRUUHRVGIJN-WDEREUQCSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000822224021 607128116 /nfs/dbraw/zinc/12/81/16/607128116.db2.gz STAVRUUHRVGIJN-WDEREUQCSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCC(=O)NC(N)=O ZINC000822224173 606914623 /nfs/dbraw/zinc/91/46/23/606914623.db2.gz YQIKPLCUVCVOSV-UHFFFAOYSA-N -1 3 353.364 -0.962 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCC(=O)NC(N)=O ZINC000822224173 606914622 /nfs/dbraw/zinc/91/46/22/606914622.db2.gz YQIKPLCUVCVOSV-UHFFFAOYSA-N -1 3 353.364 -0.962 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)c1-c1nn[n-]n1 ZINC000822308288 599599585 /nfs/dbraw/zinc/59/95/85/599599585.db2.gz BTVRJLUJTAVTKM-UHFFFAOYSA-N -1 3 357.374 -0.162 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)c1-c1nnn[n-]1 ZINC000822308288 599599584 /nfs/dbraw/zinc/59/95/84/599599584.db2.gz BTVRJLUJTAVTKM-UHFFFAOYSA-N -1 3 357.374 -0.162 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@H](CO)OC[C@H]2C)c1-c1nn[n-]n1 ZINC000822308603 607093852 /nfs/dbraw/zinc/09/38/52/607093852.db2.gz HURTYMDWJNSQMH-GHMZBOCLSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@H](CO)OC[C@H]2C)c1-c1nnn[n-]1 ZINC000822308603 607093850 /nfs/dbraw/zinc/09/38/50/607093850.db2.gz HURTYMDWJNSQMH-GHMZBOCLSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@@H](CO)OC[C@H]2C)c1-c1nn[n-]n1 ZINC000822308606 607093873 /nfs/dbraw/zinc/09/38/73/607093873.db2.gz HURTYMDWJNSQMH-MNOVXSKESA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@@H](CO)OC[C@H]2C)c1-c1nnn[n-]1 ZINC000822308606 607093871 /nfs/dbraw/zinc/09/38/71/607093871.db2.gz HURTYMDWJNSQMH-MNOVXSKESA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@@H](CO)OC[C@@H]2C)c1-c1nn[n-]n1 ZINC000822308607 607093473 /nfs/dbraw/zinc/09/34/73/607093473.db2.gz HURTYMDWJNSQMH-QWRGUYRKSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@@H](CO)OC[C@@H]2C)c1-c1nnn[n-]1 ZINC000822308607 607093472 /nfs/dbraw/zinc/09/34/72/607093472.db2.gz HURTYMDWJNSQMH-QWRGUYRKSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@H](CO)OC[C@@H]2C)c1-c1nn[n-]n1 ZINC000822308613 607093899 /nfs/dbraw/zinc/09/38/99/607093899.db2.gz HURTYMDWJNSQMH-WDEREUQCSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@H](CO)OC[C@@H]2C)c1-c1nnn[n-]1 ZINC000822308613 607093897 /nfs/dbraw/zinc/09/38/97/607093897.db2.gz HURTYMDWJNSQMH-WDEREUQCSA-N -1 3 360.374 -0.278 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1-c1nn[n-]n1 ZINC000822309220 606766596 /nfs/dbraw/zinc/76/65/96/606766596.db2.gz QENYZICGCFEMPL-CHWSQXEVSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1-c1nnn[n-]1 ZINC000822309220 606766595 /nfs/dbraw/zinc/76/65/95/606766595.db2.gz QENYZICGCFEMPL-CHWSQXEVSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1-c1nn[n-]n1 ZINC000822309221 606767042 /nfs/dbraw/zinc/76/70/42/606767042.db2.gz QENYZICGCFEMPL-OLZOCXBDSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1-c1nnn[n-]1 ZINC000822309221 606767040 /nfs/dbraw/zinc/76/70/40/606767040.db2.gz QENYZICGCFEMPL-OLZOCXBDSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1-c1nn[n-]n1 ZINC000822309222 606766537 /nfs/dbraw/zinc/76/65/37/606766537.db2.gz QENYZICGCFEMPL-QWHCGFSZSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1-c1nnn[n-]1 ZINC000822309222 606766534 /nfs/dbraw/zinc/76/65/34/606766534.db2.gz QENYZICGCFEMPL-QWHCGFSZSA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1-c1nn[n-]n1 ZINC000822309223 606766590 /nfs/dbraw/zinc/76/65/90/606766590.db2.gz QENYZICGCFEMPL-STQMWFEESA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1-c1nnn[n-]1 ZINC000822309223 606766588 /nfs/dbraw/zinc/76/65/88/606766588.db2.gz QENYZICGCFEMPL-STQMWFEESA-N -1 3 371.401 -0.345 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N(C)CCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822309314 599603838 /nfs/dbraw/zinc/60/38/38/599603838.db2.gz ULYANWSQCOLFDL-UHFFFAOYSA-N -1 3 366.403 -0.383 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N(C)CCS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822309314 599603836 /nfs/dbraw/zinc/60/38/36/599603836.db2.gz ULYANWSQCOLFDL-UHFFFAOYSA-N -1 3 366.403 -0.383 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)c1-c1nn[n-]n1 ZINC000822312149 606386482 /nfs/dbraw/zinc/38/64/82/606386482.db2.gz BDGWDXRDXGVHTM-LLVKDONJSA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)c1-c1nnn[n-]1 ZINC000822312149 606386479 /nfs/dbraw/zinc/38/64/79/606386479.db2.gz BDGWDXRDXGVHTM-LLVKDONJSA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(C)C2=O)c1-c1nn[n-]n1 ZINC000822312150 606386499 /nfs/dbraw/zinc/38/64/99/606386499.db2.gz BDGWDXRDXGVHTM-NSHDSACASA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(C)C2=O)c1-c1nnn[n-]1 ZINC000822312150 606386497 /nfs/dbraw/zinc/38/64/97/606386497.db2.gz BDGWDXRDXGVHTM-NSHDSACASA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)Cn2cncn2)c1-c1nn[n-]n1 ZINC000822312312 606607050 /nfs/dbraw/zinc/60/70/50/606607050.db2.gz DBWORGGQBFBQKO-JTQLQIEISA-N -1 3 355.362 -0.090 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)Cn2cncn2)c1-c1nnn[n-]1 ZINC000822312312 606607049 /nfs/dbraw/zinc/60/70/49/606607049.db2.gz DBWORGGQBFBQKO-JTQLQIEISA-N -1 3 355.362 -0.090 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)Cn2cncn2)c1-c1nn[n-]n1 ZINC000822312313 606606512 /nfs/dbraw/zinc/60/65/12/606606512.db2.gz DBWORGGQBFBQKO-SNVBAGLBSA-N -1 3 355.362 -0.090 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)Cn2cncn2)c1-c1nnn[n-]1 ZINC000822312313 606606510 /nfs/dbraw/zinc/60/65/10/606606510.db2.gz DBWORGGQBFBQKO-SNVBAGLBSA-N -1 3 355.362 -0.090 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c1-c1nn[n-]n1 ZINC000822312323 607293632 /nfs/dbraw/zinc/29/36/32/607293632.db2.gz DMCSAPCRQKLREK-AAEUAGOBSA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c1-c1nnn[n-]1 ZINC000822312323 607293631 /nfs/dbraw/zinc/29/36/31/607293631.db2.gz DMCSAPCRQKLREK-AAEUAGOBSA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1-c1nn[n-]n1 ZINC000822312324 607293840 /nfs/dbraw/zinc/29/38/40/607293840.db2.gz DMCSAPCRQKLREK-DGCLKSJQSA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1-c1nnn[n-]1 ZINC000822312324 607293839 /nfs/dbraw/zinc/29/38/39/607293839.db2.gz DMCSAPCRQKLREK-DGCLKSJQSA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c1-c1nn[n-]n1 ZINC000822312325 607293787 /nfs/dbraw/zinc/29/37/87/607293787.db2.gz DMCSAPCRQKLREK-WCQYABFASA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c1-c1nnn[n-]1 ZINC000822312325 607293786 /nfs/dbraw/zinc/29/37/86/607293786.db2.gz DMCSAPCRQKLREK-WCQYABFASA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1-c1nn[n-]n1 ZINC000822312326 607293848 /nfs/dbraw/zinc/29/38/48/607293848.db2.gz DMCSAPCRQKLREK-YPMHNXCESA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1-c1nnn[n-]1 ZINC000822312326 607293847 /nfs/dbraw/zinc/29/38/47/607293847.db2.gz DMCSAPCRQKLREK-YPMHNXCESA-N -1 3 373.417 -0.051 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1-c1nn[n-]n1 ZINC000822312367 606612103 /nfs/dbraw/zinc/61/21/03/606612103.db2.gz FGONXFWEYFPTJK-JTQLQIEISA-N -1 3 369.385 -0.007 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1-c1nnn[n-]1 ZINC000822312367 606612101 /nfs/dbraw/zinc/61/21/01/606612101.db2.gz FGONXFWEYFPTJK-JTQLQIEISA-N -1 3 369.385 -0.007 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1-c1nn[n-]n1 ZINC000822312368 606612253 /nfs/dbraw/zinc/61/22/53/606612253.db2.gz FGONXFWEYFPTJK-SNVBAGLBSA-N -1 3 369.385 -0.007 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1-c1nnn[n-]1 ZINC000822312368 606612252 /nfs/dbraw/zinc/61/22/52/606612252.db2.gz FGONXFWEYFPTJK-SNVBAGLBSA-N -1 3 369.385 -0.007 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c1-c1nn[n-]n1 ZINC000822312386 599609272 /nfs/dbraw/zinc/60/92/72/599609272.db2.gz FUVJMUFBOKJHTH-UHFFFAOYSA-N -1 3 364.387 -0.629 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c1-c1nnn[n-]1 ZINC000822312386 599609270 /nfs/dbraw/zinc/60/92/70/599609270.db2.gz FUVJMUFBOKJHTH-UHFFFAOYSA-N -1 3 364.387 -0.629 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)c1-c1nn[n-]n1 ZINC000822312591 606386101 /nfs/dbraw/zinc/38/61/01/606386101.db2.gz GBLSWGHBGPLJIY-UHFFFAOYSA-N -1 3 369.385 -0.053 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)c1-c1nnn[n-]1 ZINC000822312591 606386099 /nfs/dbraw/zinc/38/60/99/606386099.db2.gz GBLSWGHBGPLJIY-UHFFFAOYSA-N -1 3 369.385 -0.053 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822312680 599605971 /nfs/dbraw/zinc/60/59/71/599605971.db2.gz HOEAVVFRCMMYGF-SECBINFHSA-N -1 3 366.403 -0.337 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822312680 599605970 /nfs/dbraw/zinc/60/59/70/599605970.db2.gz HOEAVVFRCMMYGF-SECBINFHSA-N -1 3 366.403 -0.337 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822312681 599605825 /nfs/dbraw/zinc/60/58/25/599605825.db2.gz HOEAVVFRCMMYGF-VIFPVBQESA-N -1 3 366.403 -0.337 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822312681 599605824 /nfs/dbraw/zinc/60/58/24/599605824.db2.gz HOEAVVFRCMMYGF-VIFPVBQESA-N -1 3 366.403 -0.337 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCn3cnnc3C2)c1-c1nn[n-]n1 ZINC000822312801 599605956 /nfs/dbraw/zinc/60/59/56/599605956.db2.gz IYRDVEIUQQOEIJ-UHFFFAOYSA-N -1 3 353.346 -0.252 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCn3cnnc3C2)c1-c1nnn[n-]1 ZINC000822312801 599605955 /nfs/dbraw/zinc/60/59/55/599605955.db2.gz IYRDVEIUQQOEIJ-UHFFFAOYSA-N -1 3 353.346 -0.252 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1-c1nn[n-]n1 ZINC000822312883 606610511 /nfs/dbraw/zinc/61/05/11/606610511.db2.gz JKJSGJYFARAXMS-JTQLQIEISA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1-c1nnn[n-]1 ZINC000822312883 606610510 /nfs/dbraw/zinc/61/05/10/606610510.db2.gz JKJSGJYFARAXMS-JTQLQIEISA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1-c1nn[n-]n1 ZINC000822312886 606610547 /nfs/dbraw/zinc/61/05/47/606610547.db2.gz JKJSGJYFARAXMS-SNVBAGLBSA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1-c1nnn[n-]1 ZINC000822312886 606610546 /nfs/dbraw/zinc/61/05/46/606610546.db2.gz JKJSGJYFARAXMS-SNVBAGLBSA-N -1 3 367.373 -0.164 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)c1-c1nn[n-]n1 ZINC000822312976 606119458 /nfs/dbraw/zinc/11/94/58/606119458.db2.gz KIRNRDIKZLBVJT-LLVKDONJSA-N -1 3 357.374 -0.101 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)c1-c1nnn[n-]1 ZINC000822312976 606119456 /nfs/dbraw/zinc/11/94/56/606119456.db2.gz KIRNRDIKZLBVJT-LLVKDONJSA-N -1 3 357.374 -0.101 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCCCNC2=O)c1-c1nn[n-]n1 ZINC000822312977 606119482 /nfs/dbraw/zinc/11/94/82/606119482.db2.gz KIRNRDIKZLBVJT-NSHDSACASA-N -1 3 357.374 -0.101 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCCCNC2=O)c1-c1nnn[n-]1 ZINC000822312977 606119480 /nfs/dbraw/zinc/11/94/80/606119480.db2.gz KIRNRDIKZLBVJT-NSHDSACASA-N -1 3 357.374 -0.101 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000822313543 606966649 /nfs/dbraw/zinc/96/66/49/606966649.db2.gz NNFVXNHKJSXTFL-JTQLQIEISA-N -1 3 371.357 -0.223 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000822313543 606966647 /nfs/dbraw/zinc/96/66/47/606966647.db2.gz NNFVXNHKJSXTFL-JTQLQIEISA-N -1 3 371.357 -0.223 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)c1-c1nn[n-]n1 ZINC000822313546 606966604 /nfs/dbraw/zinc/96/66/04/606966604.db2.gz NNFVXNHKJSXTFL-SNVBAGLBSA-N -1 3 371.357 -0.223 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)c1-c1nnn[n-]1 ZINC000822313546 606966603 /nfs/dbraw/zinc/96/66/03/606966603.db2.gz NNFVXNHKJSXTFL-SNVBAGLBSA-N -1 3 371.357 -0.223 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c1-c1nn[n-]n1 ZINC000822313597 599607407 /nfs/dbraw/zinc/60/74/07/599607407.db2.gz OHBWEEFOWBBPRH-JTQLQIEISA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c1-c1nnn[n-]1 ZINC000822313597 599607406 /nfs/dbraw/zinc/60/74/06/599607406.db2.gz OHBWEEFOWBBPRH-JTQLQIEISA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1-c1nn[n-]n1 ZINC000822313599 599607258 /nfs/dbraw/zinc/60/72/58/599607258.db2.gz OHBWEEFOWBBPRH-SNVBAGLBSA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1-c1nnn[n-]1 ZINC000822313599 599607257 /nfs/dbraw/zinc/60/72/57/599607257.db2.gz OHBWEEFOWBBPRH-SNVBAGLBSA-N -1 3 357.374 -0.149 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2CCOCC2)c1-c1nn[n-]n1 ZINC000822314510 599598390 /nfs/dbraw/zinc/59/83/90/599598390.db2.gz USUXRQGUVJEVQZ-GFCCVEGCSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000822314510 599598388 /nfs/dbraw/zinc/59/83/88/599598388.db2.gz USUXRQGUVJEVQZ-GFCCVEGCSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)CN2CCOCC2)c1-c1nn[n-]n1 ZINC000822314511 599598061 /nfs/dbraw/zinc/59/80/61/599598061.db2.gz USUXRQGUVJEVQZ-LBPRGKRZSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000822314511 599598059 /nfs/dbraw/zinc/59/80/59/599598059.db2.gz USUXRQGUVJEVQZ-LBPRGKRZSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c1-c1nn[n-]n1 ZINC000822314526 606460157 /nfs/dbraw/zinc/46/01/57/606460157.db2.gz UWDCWGWCCUOSIO-JTQLQIEISA-N -1 3 370.373 -0.650 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c1-c1nnn[n-]1 ZINC000822314526 606460155 /nfs/dbraw/zinc/46/01/55/606460155.db2.gz UWDCWGWCCUOSIO-JTQLQIEISA-N -1 3 370.373 -0.650 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000822314528 606460480 /nfs/dbraw/zinc/46/04/80/606460480.db2.gz UWDCWGWCCUOSIO-SNVBAGLBSA-N -1 3 370.373 -0.650 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000822314528 606460479 /nfs/dbraw/zinc/46/04/79/606460479.db2.gz UWDCWGWCCUOSIO-SNVBAGLBSA-N -1 3 370.373 -0.650 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000822314544 606610216 /nfs/dbraw/zinc/61/02/16/606610216.db2.gz VBACNCYMUURLPY-GFCCVEGCSA-N -1 3 373.417 -0.361 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000822314544 606610213 /nfs/dbraw/zinc/61/02/13/606610213.db2.gz VBACNCYMUURLPY-GFCCVEGCSA-N -1 3 373.417 -0.361 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000822314546 606610576 /nfs/dbraw/zinc/61/05/76/606610576.db2.gz VBACNCYMUURLPY-LBPRGKRZSA-N -1 3 373.417 -0.361 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000822314546 606610575 /nfs/dbraw/zinc/61/05/75/606610575.db2.gz VBACNCYMUURLPY-LBPRGKRZSA-N -1 3 373.417 -0.361 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c1-c1nn[n-]n1 ZINC000822318936 599607385 /nfs/dbraw/zinc/60/73/85/599607385.db2.gz CHGNBSLKLWMBEL-UHFFFAOYSA-N -1 3 371.357 -0.621 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c1-c1nnn[n-]1 ZINC000822318936 599607383 /nfs/dbraw/zinc/60/73/83/599607383.db2.gz CHGNBSLKLWMBEL-UHFFFAOYSA-N -1 3 371.357 -0.621 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822318947 599607632 /nfs/dbraw/zinc/60/76/32/599607632.db2.gz CSWAOLQSPFYESF-UHFFFAOYSA-N -1 3 352.376 -0.726 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822318947 599607630 /nfs/dbraw/zinc/60/76/30/599607630.db2.gz CSWAOLQSPFYESF-UHFFFAOYSA-N -1 3 352.376 -0.726 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1-c1nn[n-]n1 ZINC000822318976 599607252 /nfs/dbraw/zinc/60/72/52/599607252.db2.gz DQGZVCFXHAFNSS-LLVKDONJSA-N -1 3 359.390 -0.440 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1-c1nnn[n-]1 ZINC000822318976 599607250 /nfs/dbraw/zinc/60/72/50/599607250.db2.gz DQGZVCFXHAFNSS-LLVKDONJSA-N -1 3 359.390 -0.440 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c1-c1nn[n-]n1 ZINC000822318977 599607733 /nfs/dbraw/zinc/60/77/33/599607733.db2.gz DQGZVCFXHAFNSS-NSHDSACASA-N -1 3 359.390 -0.440 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c1-c1nnn[n-]1 ZINC000822318977 599607732 /nfs/dbraw/zinc/60/77/32/599607732.db2.gz DQGZVCFXHAFNSS-NSHDSACASA-N -1 3 359.390 -0.440 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822319042 599607345 /nfs/dbraw/zinc/60/73/45/599607345.db2.gz HJNBIRWMIGXOKX-UHFFFAOYSA-N -1 3 366.403 -0.335 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCCS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822319042 599607343 /nfs/dbraw/zinc/60/73/43/599607343.db2.gz HJNBIRWMIGXOKX-UHFFFAOYSA-N -1 3 366.403 -0.335 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)C2CC2)c1-c1nn[n-]n1 ZINC000822319117 599596902 /nfs/dbraw/zinc/59/69/02/599596902.db2.gz JEWWKIHHEPJIGD-UHFFFAOYSA-N -1 3 357.374 -0.244 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)C2CC2)c1-c1nnn[n-]1 ZINC000822319117 599596900 /nfs/dbraw/zinc/59/69/00/599596900.db2.gz JEWWKIHHEPJIGD-UHFFFAOYSA-N -1 3 357.374 -0.244 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCN2CCOC[C@H]2C)c1-c1nn[n-]n1 ZINC000822319140 599604557 /nfs/dbraw/zinc/60/45/57/599604557.db2.gz KHHOYGZDEXBQDE-GFCCVEGCSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCN2CCOC[C@H]2C)c1-c1nnn[n-]1 ZINC000822319140 599604556 /nfs/dbraw/zinc/60/45/56/599604556.db2.gz KHHOYGZDEXBQDE-GFCCVEGCSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)c1-c1nn[n-]n1 ZINC000822319141 599604715 /nfs/dbraw/zinc/60/47/15/599604715.db2.gz KHHOYGZDEXBQDE-LBPRGKRZSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)c1-c1nnn[n-]1 ZINC000822319141 599604714 /nfs/dbraw/zinc/60/47/14/599604714.db2.gz KHHOYGZDEXBQDE-LBPRGKRZSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCCN2CCOCC2)c1-c1nn[n-]n1 ZINC000822319190 599597166 /nfs/dbraw/zinc/59/71/66/599597166.db2.gz LYZZXKCGJAXBLK-UHFFFAOYSA-N -1 3 373.417 -0.048 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCCN2CCOCC2)c1-c1nnn[n-]1 ZINC000822319190 599597164 /nfs/dbraw/zinc/59/71/64/599597164.db2.gz LYZZXKCGJAXBLK-UHFFFAOYSA-N -1 3 373.417 -0.048 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1-c1nn[n-]n1 ZINC000822319260 607141041 /nfs/dbraw/zinc/14/10/41/607141041.db2.gz PEYNKXTYTLMJNL-GXSJLCMTSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1-c1nnn[n-]1 ZINC000822319260 607141040 /nfs/dbraw/zinc/14/10/40/607141040.db2.gz PEYNKXTYTLMJNL-GXSJLCMTSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1-c1nn[n-]n1 ZINC000822319261 607141425 /nfs/dbraw/zinc/14/14/25/607141425.db2.gz PEYNKXTYTLMJNL-KOLCDFICSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1-c1nnn[n-]1 ZINC000822319261 607141423 /nfs/dbraw/zinc/14/14/23/607141423.db2.gz PEYNKXTYTLMJNL-KOLCDFICSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1-c1nn[n-]n1 ZINC000822319262 607141333 /nfs/dbraw/zinc/14/13/33/607141333.db2.gz PEYNKXTYTLMJNL-MWLCHTKSSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1-c1nnn[n-]1 ZINC000822319262 607141331 /nfs/dbraw/zinc/14/13/31/607141331.db2.gz PEYNKXTYTLMJNL-MWLCHTKSSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1-c1nn[n-]n1 ZINC000822319263 607141394 /nfs/dbraw/zinc/14/13/94/607141394.db2.gz PEYNKXTYTLMJNL-ONGXEEELSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1-c1nnn[n-]1 ZINC000822319263 607141392 /nfs/dbraw/zinc/14/13/92/607141392.db2.gz PEYNKXTYTLMJNL-ONGXEEELSA-N -1 3 373.373 -0.737 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCN2CCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC000822319375 599604563 /nfs/dbraw/zinc/60/45/63/599604563.db2.gz PQNYKGFXKOQLRT-GFCCVEGCSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCN2CCO[C@H](C)C2)c1-c1nnn[n-]1 ZINC000822319375 599604561 /nfs/dbraw/zinc/60/45/61/599604561.db2.gz PQNYKGFXKOQLRT-GFCCVEGCSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCN2CCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000822319376 599604749 /nfs/dbraw/zinc/60/47/49/599604749.db2.gz PQNYKGFXKOQLRT-LBPRGKRZSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCN2CCO[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000822319376 599604747 /nfs/dbraw/zinc/60/47/47/599604747.db2.gz PQNYKGFXKOQLRT-LBPRGKRZSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1-c1nn[n-]n1 ZINC000822319645 599596934 /nfs/dbraw/zinc/59/69/34/599596934.db2.gz VWPNWKZQLKIWGL-UHFFFAOYSA-N -1 3 359.390 -0.438 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1-c1nnn[n-]1 ZINC000822319645 599596933 /nfs/dbraw/zinc/59/69/33/599596933.db2.gz VWPNWKZQLKIWGL-UHFFFAOYSA-N -1 3 359.390 -0.438 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000822319656 599598952 /nfs/dbraw/zinc/59/89/52/599598952.db2.gz WDANUOUTDSKLNO-GFCCVEGCSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000822319656 599598949 /nfs/dbraw/zinc/59/89/49/599598949.db2.gz WDANUOUTDSKLNO-GFCCVEGCSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000822319657 599598792 /nfs/dbraw/zinc/59/87/92/599598792.db2.gz WDANUOUTDSKLNO-LBPRGKRZSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000822319657 599598790 /nfs/dbraw/zinc/59/87/90/599598790.db2.gz WDANUOUTDSKLNO-LBPRGKRZSA-N -1 3 373.417 -0.049 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCCn2cncn2)c1-c1nn[n-]n1 ZINC000822319663 599598602 /nfs/dbraw/zinc/59/86/02/599598602.db2.gz WKVPKCYOWDBFTA-UHFFFAOYSA-N -1 3 355.362 -0.088 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCCn2cncn2)c1-c1nnn[n-]1 ZINC000822319663 599598601 /nfs/dbraw/zinc/59/86/01/599598601.db2.gz WKVPKCYOWDBFTA-UHFFFAOYSA-N -1 3 355.362 -0.088 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H](O)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000822319811 599610840 /nfs/dbraw/zinc/61/08/40/599610840.db2.gz YQGJKGQSBDWRRM-GFCCVEGCSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H](O)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000822319811 599610838 /nfs/dbraw/zinc/61/08/38/599610838.db2.gz YQGJKGQSBDWRRM-GFCCVEGCSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@H](O)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000822319812 599611151 /nfs/dbraw/zinc/61/11/51/599611151.db2.gz YQGJKGQSBDWRRM-LBPRGKRZSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@H](O)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000822319812 599611150 /nfs/dbraw/zinc/61/11/50/599611150.db2.gz YQGJKGQSBDWRRM-LBPRGKRZSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCC2(O)CCOCC2)c1-c1nn[n-]n1 ZINC000822319843 599608296 /nfs/dbraw/zinc/60/82/96/599608296.db2.gz ZQYWYGLLUVYBRC-UHFFFAOYSA-N -1 3 360.374 -0.229 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCC2(O)CCOCC2)c1-c1nnn[n-]1 ZINC000822319843 599608295 /nfs/dbraw/zinc/60/82/95/599608295.db2.gz ZQYWYGLLUVYBRC-UHFFFAOYSA-N -1 3 360.374 -0.229 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCc2nnnn2C2CC2)c1-c1nn[n-]n1 ZINC000822323593 599616729 /nfs/dbraw/zinc/61/67/29/599616729.db2.gz KDHVPGVETTYYAW-UHFFFAOYSA-N -1 3 368.361 -0.249 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCc2nnnn2C2CC2)c1-c1nnn[n-]1 ZINC000822323593 599616728 /nfs/dbraw/zinc/61/67/28/599616728.db2.gz KDHVPGVETTYYAW-UHFFFAOYSA-N -1 3 368.361 -0.249 20 0 FBADHM CCn1nc(C)c(CNC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000822371003 661089621 /nfs/dbraw/zinc/08/96/21/661089621.db2.gz RCCUSVGZGUBJJE-UHFFFAOYSA-N -1 3 356.408 -0.194 20 0 FBADHM Cc1ccnc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c1 ZINC000822374066 607224396 /nfs/dbraw/zinc/22/43/96/607224396.db2.gz JRVSCXAZBNGNPG-UHFFFAOYSA-N -1 3 354.378 -0.490 20 0 FBADHM COC(=O)[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000822377030 661089729 /nfs/dbraw/zinc/08/97/29/661089729.db2.gz YOHQZMDXICTXIT-LLVKDONJSA-N -1 3 362.379 -0.224 20 0 FBADHM Cc1cn(CCC(=O)NC(N)=O)c(=O)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822383774 607380619 /nfs/dbraw/zinc/38/06/19/607380619.db2.gz BUBZPXZPVIIUSE-UHFFFAOYSA-N -1 3 356.346 -0.287 20 0 FBADHM Cc1cn(CCC(=O)NC(N)=O)c(=O)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822383774 607380617 /nfs/dbraw/zinc/38/06/17/607380617.db2.gz BUBZPXZPVIIUSE-UHFFFAOYSA-N -1 3 356.346 -0.287 20 0 FBADHM Cc1cn(CC(=O)NCCCN(C)S(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000822384926 607330411 /nfs/dbraw/zinc/33/04/11/607330411.db2.gz VHSBGADUUUWKNL-UHFFFAOYSA-N -1 3 355.424 -0.626 20 0 FBADHM Cc1cn(CC(=O)NCCCN(C)S(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000822384926 607330410 /nfs/dbraw/zinc/33/04/10/607330410.db2.gz VHSBGADUUUWKNL-UHFFFAOYSA-N -1 3 355.424 -0.626 20 0 FBADHM Cc1conc1NC(=O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000822403440 607436997 /nfs/dbraw/zinc/43/69/97/607436997.db2.gz NXDAPUXUVSYVSQ-UHFFFAOYSA-N -1 3 357.334 -0.275 20 0 FBADHM Cc1conc1NC(=O)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822403440 607436995 /nfs/dbraw/zinc/43/69/95/607436995.db2.gz NXDAPUXUVSYVSQ-UHFFFAOYSA-N -1 3 357.334 -0.275 20 0 FBADHM Cc1conc1NC(=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000822403544 607435439 /nfs/dbraw/zinc/43/54/39/607435439.db2.gz QWOOBNHYAMNQSD-UHFFFAOYSA-N -1 3 357.334 -0.275 20 0 FBADHM Cc1conc1NC(=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000822403544 607435438 /nfs/dbraw/zinc/43/54/38/607435438.db2.gz 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/nfs/dbraw/zinc/16/89/41/606168941.db2.gz NYPDJRVSWYEUQB-UHFFFAOYSA-N -1 3 361.410 -0.071 20 0 FBADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)n1 ZINC000822609437 606159095 /nfs/dbraw/zinc/15/90/95/606159095.db2.gz OAAVROCFZYTFOJ-LLVKDONJSA-N -1 3 361.410 -0.214 20 0 FBADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)n1 ZINC000822609490 606158973 /nfs/dbraw/zinc/15/89/73/606158973.db2.gz OAAVROCFZYTFOJ-NSHDSACASA-N -1 3 361.410 -0.214 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000822623548 606213365 /nfs/dbraw/zinc/21/33/65/606213365.db2.gz ZMVMFRMQZCEYQV-LLVKDONJSA-N -1 3 350.404 -0.003 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000822623548 606213364 /nfs/dbraw/zinc/21/33/64/606213364.db2.gz ZMVMFRMQZCEYQV-LLVKDONJSA-N -1 3 350.404 -0.003 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000822623550 606213445 /nfs/dbraw/zinc/21/34/45/606213445.db2.gz ZMVMFRMQZCEYQV-NSHDSACASA-N -1 3 350.404 -0.003 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000822623550 606213444 /nfs/dbraw/zinc/21/34/44/606213444.db2.gz ZMVMFRMQZCEYQV-NSHDSACASA-N -1 3 350.404 -0.003 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000822626044 606277085 /nfs/dbraw/zinc/27/70/85/606277085.db2.gz AMYGLNKLPQCZHO-GFCCVEGCSA-N -1 3 373.417 -0.084 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000822626044 606277083 /nfs/dbraw/zinc/27/70/83/606277083.db2.gz AMYGLNKLPQCZHO-GFCCVEGCSA-N -1 3 373.417 -0.084 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000822626166 606276824 /nfs/dbraw/zinc/27/68/24/606276824.db2.gz AMYGLNKLPQCZHO-LBPRGKRZSA-N -1 3 373.417 -0.084 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000822626166 606276823 /nfs/dbraw/zinc/27/68/23/606276823.db2.gz AMYGLNKLPQCZHO-LBPRGKRZSA-N -1 3 373.417 -0.084 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000822626370 606225305 /nfs/dbraw/zinc/22/53/05/606225305.db2.gz CGERAMSMDQKICT-LLVKDONJSA-N -1 3 367.435 -0.251 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000822626370 606225303 /nfs/dbraw/zinc/22/53/03/606225303.db2.gz CGERAMSMDQKICT-LLVKDONJSA-N -1 3 367.435 -0.251 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000822626371 606225272 /nfs/dbraw/zinc/22/52/72/606225272.db2.gz CGERAMSMDQKICT-NSHDSACASA-N -1 3 367.435 -0.251 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000822626371 606225271 /nfs/dbraw/zinc/22/52/71/606225271.db2.gz CGERAMSMDQKICT-NSHDSACASA-N -1 3 367.435 -0.251 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000822626683 606287767 /nfs/dbraw/zinc/28/77/67/606287767.db2.gz FDDKTDSKTNIOFI-SECBINFHSA-N -1 3 353.408 -0.654 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000822626683 606287764 /nfs/dbraw/zinc/28/77/64/606287764.db2.gz FDDKTDSKTNIOFI-SECBINFHSA-N -1 3 353.408 -0.654 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000822626689 606287725 /nfs/dbraw/zinc/28/77/25/606287725.db2.gz FDDKTDSKTNIOFI-VIFPVBQESA-N -1 3 353.408 -0.654 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000822626689 606287723 /nfs/dbraw/zinc/28/77/23/606287723.db2.gz FDDKTDSKTNIOFI-VIFPVBQESA-N -1 3 353.408 -0.654 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(CCn2cncn2)CC1 ZINC000822626704 606291825 /nfs/dbraw/zinc/29/18/25/606291825.db2.gz FFHFKGFDKKDEFU-UHFFFAOYSA-N -1 3 356.394 -0.745 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(CCn2cncn2)CC1 ZINC000822626704 606291823 /nfs/dbraw/zinc/29/18/23/606291823.db2.gz FFHFKGFDKKDEFU-UHFFFAOYSA-N -1 3 356.394 -0.745 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000822627047 606276920 /nfs/dbraw/zinc/27/69/20/606276920.db2.gz IIUCBNBYFSWIMH-UHFFFAOYSA-N -1 3 353.408 -0.687 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000822627047 606276918 /nfs/dbraw/zinc/27/69/18/606276918.db2.gz IIUCBNBYFSWIMH-UHFFFAOYSA-N -1 3 353.408 -0.687 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000822627200 606292100 /nfs/dbraw/zinc/29/21/00/606292100.db2.gz LOVXECWLQUDURP-DEOSSOPVSA-N -1 3 351.436 -0.659 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000822627200 606292098 /nfs/dbraw/zinc/29/20/98/606292098.db2.gz LOVXECWLQUDURP-DEOSSOPVSA-N -1 3 351.436 -0.659 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000822627203 606291772 /nfs/dbraw/zinc/29/17/72/606291772.db2.gz LOVXECWLQUDURP-XMMPIXPASA-N -1 3 351.436 -0.659 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000822627203 606291770 /nfs/dbraw/zinc/29/17/70/606291770.db2.gz LOVXECWLQUDURP-XMMPIXPASA-N -1 3 351.436 -0.659 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000822627338 606274603 /nfs/dbraw/zinc/27/46/03/606274603.db2.gz MCMHESDZRPKIQZ-CYBMUJFWSA-N -1 3 359.390 -0.331 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000822627338 606274600 /nfs/dbraw/zinc/27/46/00/606274600.db2.gz MCMHESDZRPKIQZ-CYBMUJFWSA-N -1 3 359.390 -0.331 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000822627339 606274722 /nfs/dbraw/zinc/27/47/22/606274722.db2.gz MCMHESDZRPKIQZ-ZDUSSCGKSA-N -1 3 359.390 -0.331 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000822627339 606274721 /nfs/dbraw/zinc/27/47/21/606274721.db2.gz MCMHESDZRPKIQZ-ZDUSSCGKSA-N -1 3 359.390 -0.331 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000822628045 606278990 /nfs/dbraw/zinc/27/89/90/606278990.db2.gz UIBSCESJZARJKA-JTQLQIEISA-N -1 3 353.408 -0.641 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000822628045 606278988 /nfs/dbraw/zinc/27/89/88/606278988.db2.gz UIBSCESJZARJKA-JTQLQIEISA-N -1 3 353.408 -0.641 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000822628049 606278891 /nfs/dbraw/zinc/27/88/91/606278891.db2.gz UIBSCESJZARJKA-SNVBAGLBSA-N -1 3 353.408 -0.641 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000822628049 606278890 /nfs/dbraw/zinc/27/88/90/606278890.db2.gz UIBSCESJZARJKA-SNVBAGLBSA-N -1 3 353.408 -0.641 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000822628095 606280696 /nfs/dbraw/zinc/28/06/96/606280696.db2.gz UWULXDBUFMWHCG-JTQLQIEISA-N -1 3 367.435 -0.393 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000822628095 606280694 /nfs/dbraw/zinc/28/06/94/606280694.db2.gz UWULXDBUFMWHCG-JTQLQIEISA-N -1 3 367.435 -0.393 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000822628098 606280753 /nfs/dbraw/zinc/28/07/53/606280753.db2.gz UWULXDBUFMWHCG-SNVBAGLBSA-N -1 3 367.435 -0.393 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000822628098 606280752 /nfs/dbraw/zinc/28/07/52/606280752.db2.gz UWULXDBUFMWHCG-SNVBAGLBSA-N -1 3 367.435 -0.393 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000822628099 661090978 /nfs/dbraw/zinc/09/09/78/661090978.db2.gz UZDYUFVFMAEJDN-JTQLQIEISA-N -1 3 353.408 -0.512 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000822628099 661090977 /nfs/dbraw/zinc/09/09/77/661090977.db2.gz UZDYUFVFMAEJDN-JTQLQIEISA-N -1 3 353.408 -0.512 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000822628103 661091022 /nfs/dbraw/zinc/09/10/22/661091022.db2.gz UZDYUFVFMAEJDN-SNVBAGLBSA-N -1 3 353.408 -0.512 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000822628103 661091017 /nfs/dbraw/zinc/09/10/17/661091017.db2.gz UZDYUFVFMAEJDN-SNVBAGLBSA-N -1 3 353.408 -0.512 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000822628441 606275832 /nfs/dbraw/zinc/27/58/32/606275832.db2.gz YGOLXTXEMQNSLH-UHFFFAOYSA-N -1 3 372.433 -0.415 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000822628441 606275830 /nfs/dbraw/zinc/27/58/30/606275830.db2.gz YGOLXTXEMQNSLH-UHFFFAOYSA-N -1 3 372.433 -0.415 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000822628461 606275791 /nfs/dbraw/zinc/27/57/91/606275791.db2.gz YMPOTGPFWVHNHP-UHFFFAOYSA-N -1 3 358.406 -0.758 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000822628461 606275790 /nfs/dbraw/zinc/27/57/90/606275790.db2.gz YMPOTGPFWVHNHP-UHFFFAOYSA-N -1 3 358.406 -0.758 20 0 FBADHM Cn1ccnc1CN1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000822631685 606287979 /nfs/dbraw/zinc/28/79/79/606287979.db2.gz DRQWFYUSEUXANV-UHFFFAOYSA-N -1 3 355.406 -0.103 20 0 FBADHM Cn1ccnc1CN1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000822631685 606287977 /nfs/dbraw/zinc/28/79/77/606287977.db2.gz DRQWFYUSEUXANV-UHFFFAOYSA-N -1 3 355.406 -0.103 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000822631885 606283564 /nfs/dbraw/zinc/28/35/64/606283564.db2.gz LFYLJHKCUNYTTK-JTQLQIEISA-N -1 3 353.408 -0.641 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000822631885 606283562 /nfs/dbraw/zinc/28/35/62/606283562.db2.gz LFYLJHKCUNYTTK-JTQLQIEISA-N -1 3 353.408 -0.641 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000822631886 606283510 /nfs/dbraw/zinc/28/35/10/606283510.db2.gz LFYLJHKCUNYTTK-SNVBAGLBSA-N -1 3 353.408 -0.641 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000822631886 606283508 /nfs/dbraw/zinc/28/35/08/606283508.db2.gz LFYLJHKCUNYTTK-SNVBAGLBSA-N -1 3 353.408 -0.641 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000822631895 606794982 /nfs/dbraw/zinc/79/49/82/606794982.db2.gz LICQSIJVBHAFTR-JTQLQIEISA-N -1 3 356.433 -0.235 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000822631895 606794981 /nfs/dbraw/zinc/79/49/81/606794981.db2.gz LICQSIJVBHAFTR-JTQLQIEISA-N -1 3 356.433 -0.235 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCSC[C@H]1S(C)(=O)=O ZINC000822631896 606794757 /nfs/dbraw/zinc/79/47/57/606794757.db2.gz LICQSIJVBHAFTR-SNVBAGLBSA-N -1 3 356.433 -0.235 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCSC[C@H]1S(C)(=O)=O ZINC000822631896 606794755 /nfs/dbraw/zinc/79/47/55/606794755.db2.gz LICQSIJVBHAFTR-SNVBAGLBSA-N -1 3 356.433 -0.235 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000822632507 606259306 /nfs/dbraw/zinc/25/93/06/606259306.db2.gz XCNCCRMHZXWXHC-UHFFFAOYSA-N -1 3 369.389 -0.739 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000822632507 606259305 /nfs/dbraw/zinc/25/93/05/606259305.db2.gz XCNCCRMHZXWXHC-UHFFFAOYSA-N -1 3 369.389 -0.739 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000822632508 606953709 /nfs/dbraw/zinc/95/37/09/606953709.db2.gz XFGVFSVHPVEPBN-UHFFFAOYSA-N -1 3 360.407 -0.399 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000822632508 606953707 /nfs/dbraw/zinc/95/37/07/606953707.db2.gz XFGVFSVHPVEPBN-UHFFFAOYSA-N -1 3 360.407 -0.399 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC1CCC(C(=O)NC(N)=O)CC1 ZINC000822632518 607110182 /nfs/dbraw/zinc/11/01/82/607110182.db2.gz XLXIKRLZMPRRTM-UHFFFAOYSA-N -1 3 360.378 -0.311 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC1CCC(C(=O)NC(N)=O)CC1 ZINC000822632518 607110181 /nfs/dbraw/zinc/11/01/81/607110181.db2.gz XLXIKRLZMPRRTM-UHFFFAOYSA-N -1 3 360.378 -0.311 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000822636294 606239167 /nfs/dbraw/zinc/23/91/67/606239167.db2.gz CBUNZBGTNQCNDB-UHFFFAOYSA-N -1 3 367.435 -0.393 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000822636294 606239166 /nfs/dbraw/zinc/23/91/66/606239166.db2.gz CBUNZBGTNQCNDB-UHFFFAOYSA-N -1 3 367.435 -0.393 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000822636695 606819271 /nfs/dbraw/zinc/81/92/71/606819271.db2.gz HYAXMNZZWKOWGT-GXSJLCMTSA-N -1 3 367.435 -0.347 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000822636695 606819270 /nfs/dbraw/zinc/81/92/70/606819270.db2.gz HYAXMNZZWKOWGT-GXSJLCMTSA-N -1 3 367.435 -0.347 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000822636696 606818974 /nfs/dbraw/zinc/81/89/74/606818974.db2.gz HYAXMNZZWKOWGT-KOLCDFICSA-N -1 3 367.435 -0.347 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000822636696 606818973 /nfs/dbraw/zinc/81/89/73/606818973.db2.gz HYAXMNZZWKOWGT-KOLCDFICSA-N -1 3 367.435 -0.347 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000822636697 606819311 /nfs/dbraw/zinc/81/93/11/606819311.db2.gz HYAXMNZZWKOWGT-MWLCHTKSSA-N -1 3 367.435 -0.347 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000822636697 606819310 /nfs/dbraw/zinc/81/93/10/606819310.db2.gz HYAXMNZZWKOWGT-MWLCHTKSSA-N -1 3 367.435 -0.347 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000822636700 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Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000822660276 606391289 /nfs/dbraw/zinc/39/12/89/606391289.db2.gz VBQYSEFZDDEUOV-UHFFFAOYSA-N -1 3 361.362 -0.899 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NCC(=O)NC(C)(C)C ZINC000822660320 606384995 /nfs/dbraw/zinc/38/49/95/606384995.db2.gz WRUQGXYCDNDJSV-UHFFFAOYSA-N -1 3 363.378 -0.607 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NCC(=O)NC(C)(C)C ZINC000822660320 606384993 /nfs/dbraw/zinc/38/49/93/606384993.db2.gz WRUQGXYCDNDJSV-UHFFFAOYSA-N -1 3 363.378 -0.607 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCCn1nc2ccccn2c1=O ZINC000822660325 606383041 /nfs/dbraw/zinc/38/30/41/606383041.db2.gz WVGWREVZGJWNQW-UHFFFAOYSA-N -1 3 354.330 -0.128 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCCn1nc2ccccn2c1=O ZINC000822660325 606383039 /nfs/dbraw/zinc/38/30/39/606383039.db2.gz WVGWREVZGJWNQW-UHFFFAOYSA-N -1 3 354.330 -0.128 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1cccc(C(=O)NCC(N)=O)c1 ZINC000822664953 606409972 /nfs/dbraw/zinc/40/99/72/606409972.db2.gz CXJWAHNJNFGBEL-UHFFFAOYSA-N -1 3 369.341 -0.361 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1cccc(C(=O)NCC(N)=O)c1 ZINC000822664953 606409971 /nfs/dbraw/zinc/40/99/71/606409971.db2.gz CXJWAHNJNFGBEL-UHFFFAOYSA-N -1 3 369.341 -0.361 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000822665309 606385089 /nfs/dbraw/zinc/38/50/89/606385089.db2.gz NMUPRCPAKFZYNQ-UHFFFAOYSA-N -1 3 355.318 -0.056 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000822665309 606385088 /nfs/dbraw/zinc/38/50/88/606385088.db2.gz NMUPRCPAKFZYNQ-UHFFFAOYSA-N -1 3 355.318 -0.056 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 ZINC000822665611 606410126 /nfs/dbraw/zinc/41/01/26/606410126.db2.gz SVSZLQKYLLZIHR-UHFFFAOYSA-N -1 3 369.341 -0.361 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 ZINC000822665611 606410124 /nfs/dbraw/zinc/41/01/24/606410124.db2.gz SVSZLQKYLLZIHR-UHFFFAOYSA-N -1 3 369.341 -0.361 20 0 FBADHM Cn1cc([C@H](O)CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822668546 599451009 /nfs/dbraw/zinc/45/10/09/599451009.db2.gz AMQMCUQQKMVWRH-CYBMUJFWSA-N -1 3 370.373 -0.820 20 0 FBADHM Cn1cc([C@H](O)CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822668546 599451007 /nfs/dbraw/zinc/45/10/07/599451007.db2.gz AMQMCUQQKMVWRH-CYBMUJFWSA-N -1 3 370.373 -0.820 20 0 FBADHM Cn1cc([C@@H](O)CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822668551 599451031 /nfs/dbraw/zinc/45/10/31/599451031.db2.gz AMQMCUQQKMVWRH-ZDUSSCGKSA-N -1 3 370.373 -0.820 20 0 FBADHM Cn1cc([C@@H](O)CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822668551 599451029 /nfs/dbraw/zinc/45/10/29/599451029.db2.gz AMQMCUQQKMVWRH-ZDUSSCGKSA-N -1 3 370.373 -0.820 20 0 FBADHM Cn1cc(C(N)=O)cc1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822668578 606760301 /nfs/dbraw/zinc/76/03/01/606760301.db2.gz AYMOXLPTDYJJFK-GFCCVEGCSA-N -1 3 369.341 -0.313 20 0 FBADHM Cn1cc(C(N)=O)cc1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822668578 606760299 /nfs/dbraw/zinc/76/02/99/606760299.db2.gz AYMOXLPTDYJJFK-GFCCVEGCSA-N -1 3 369.341 -0.313 20 0 FBADHM Cn1cc(C(N)=O)cc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822668579 606760705 /nfs/dbraw/zinc/76/07/05/606760705.db2.gz AYMOXLPTDYJJFK-LBPRGKRZSA-N -1 3 369.341 -0.313 20 0 FBADHM Cn1cc(C(N)=O)cc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822668579 606760703 /nfs/dbraw/zinc/76/07/03/606760703.db2.gz AYMOXLPTDYJJFK-LBPRGKRZSA-N -1 3 369.341 -0.313 20 0 FBADHM Cn1cc([C@H](O)CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000822668586 599421204 /nfs/dbraw/zinc/42/12/04/599421204.db2.gz BCTWJQBBIXJXBV-GFCCVEGCSA-N -1 3 372.393 -0.560 20 0 FBADHM Cn1cc([C@H](O)CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000822668586 599421203 /nfs/dbraw/zinc/42/12/03/599421203.db2.gz BCTWJQBBIXJXBV-GFCCVEGCSA-N -1 3 372.393 -0.560 20 0 FBADHM Cn1cc([C@@H](O)CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000822668593 599421544 /nfs/dbraw/zinc/42/15/44/599421544.db2.gz BCTWJQBBIXJXBV-LBPRGKRZSA-N -1 3 372.393 -0.560 20 0 FBADHM Cn1cc([C@@H](O)CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000822668593 599421542 /nfs/dbraw/zinc/42/15/42/599421542.db2.gz BCTWJQBBIXJXBV-LBPRGKRZSA-N -1 3 372.393 -0.560 20 0 FBADHM Cn1cc([C@H](O)CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)cn1 ZINC000822668945 599040184 /nfs/dbraw/zinc/04/01/84/599040184.db2.gz DTIXUMJLVWQGJI-GFCCVEGCSA-N -1 3 364.391 -0.607 20 0 FBADHM Cn1cc([C@H](O)CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)cn1 ZINC000822668945 599040181 /nfs/dbraw/zinc/04/01/81/599040181.db2.gz DTIXUMJLVWQGJI-GFCCVEGCSA-N -1 3 364.391 -0.607 20 0 FBADHM Cn1cc([C@@H](O)CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)cn1 ZINC000822668948 599040911 /nfs/dbraw/zinc/04/09/11/599040911.db2.gz DTIXUMJLVWQGJI-LBPRGKRZSA-N -1 3 364.391 -0.607 20 0 FBADHM Cn1cc([C@@H](O)CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)cn1 ZINC000822668948 599040908 /nfs/dbraw/zinc/04/09/08/599040908.db2.gz DTIXUMJLVWQGJI-LBPRGKRZSA-N -1 3 364.391 -0.607 20 0 FBADHM Cn1cc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(=O)n(C)c1=O ZINC000822669141 599174555 /nfs/dbraw/zinc/17/45/55/599174555.db2.gz GWYVYCSRIMVUPJ-UHFFFAOYSA-N -1 3 359.321 -0.667 20 0 FBADHM Cn1cc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(=O)n(C)c1=O ZINC000822669141 599174552 /nfs/dbraw/zinc/17/45/52/599174552.db2.gz GWYVYCSRIMVUPJ-UHFFFAOYSA-N -1 3 359.321 -0.667 20 0 FBADHM Cn1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(=O)n(C)c1=O ZINC000822669464 607000244 /nfs/dbraw/zinc/00/02/44/607000244.db2.gz KLDRBADVHMSICT-UHFFFAOYSA-N -1 3 360.305 -0.240 20 0 FBADHM Cn1cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(=O)n(C)c1=O ZINC000822669464 607000243 /nfs/dbraw/zinc/00/02/43/607000243.db2.gz KLDRBADVHMSICT-UHFFFAOYSA-N -1 3 360.305 -0.240 20 0 FBADHM Cn1cc(C(N)=O)cc1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000822669763 606674083 /nfs/dbraw/zinc/67/40/83/606674083.db2.gz ONORQRGYDOVFCE-UHFFFAOYSA-N -1 3 355.362 -0.459 20 0 FBADHM Cn1cc(C(N)=O)cc1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822669763 606674082 /nfs/dbraw/zinc/67/40/82/606674082.db2.gz ONORQRGYDOVFCE-UHFFFAOYSA-N -1 3 355.362 -0.459 20 0 FBADHM Cn1cc(C(N)=O)cc1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000822669849 606668774 /nfs/dbraw/zinc/66/87/74/606668774.db2.gz SEAKVNCTRKXUII-UHFFFAOYSA-N -1 3 355.362 -0.459 20 0 FBADHM Cn1cc(C(N)=O)cc1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000822669849 606668773 /nfs/dbraw/zinc/66/87/73/606668773.db2.gz SEAKVNCTRKXUII-UHFFFAOYSA-N -1 3 355.362 -0.459 20 0 FBADHM Cn1cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822669943 607084409 /nfs/dbraw/zinc/08/44/09/607084409.db2.gz WAAUDRMPGCDVEK-UHFFFAOYSA-N -1 3 360.305 -0.240 20 0 FBADHM Cn1cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000822669943 607084407 /nfs/dbraw/zinc/08/44/07/607084407.db2.gz WAAUDRMPGCDVEK-UHFFFAOYSA-N -1 3 360.305 -0.240 20 0 FBADHM Cn1cc(C(N)=O)cc1C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000822670058 606748317 /nfs/dbraw/zinc/74/83/17/606748317.db2.gz ZVSIBLXGTUKCHZ-UHFFFAOYSA-N -1 3 356.346 -0.032 20 0 FBADHM Cn1cc(C(N)=O)cc1C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000822670058 606748315 /nfs/dbraw/zinc/74/83/15/606748315.db2.gz ZVSIBLXGTUKCHZ-UHFFFAOYSA-N -1 3 356.346 -0.032 20 0 FBADHM Cn1cc(N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2=O)cn1 ZINC000822679374 606283785 /nfs/dbraw/zinc/28/37/85/606283785.db2.gz CRKLNOYTANVMJU-LLVKDONJSA-N -1 3 355.362 -0.146 20 0 FBADHM Cn1cc(N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2=O)cn1 ZINC000822679374 606283783 /nfs/dbraw/zinc/28/37/83/606283783.db2.gz CRKLNOYTANVMJU-LLVKDONJSA-N -1 3 355.362 -0.146 20 0 FBADHM Cn1cc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2=O)cn1 ZINC000822679550 606117652 /nfs/dbraw/zinc/11/76/52/606117652.db2.gz GBFDKDOPPCHHFQ-UHFFFAOYSA-N -1 3 353.346 -0.516 20 0 FBADHM Cn1cc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2=O)cn1 ZINC000822679550 606117651 /nfs/dbraw/zinc/11/76/51/606117651.db2.gz GBFDKDOPPCHHFQ-UHFFFAOYSA-N -1 3 353.346 -0.516 20 0 FBADHM Cn1cc(N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)cn3C)C2=O)cn1 ZINC000822680787 606257392 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ZINC000822885706 606636083 /nfs/dbraw/zinc/63/60/83/606636083.db2.gz UAIYTPZTFXRHFY-UHFFFAOYSA-N -1 3 366.341 -0.385 20 0 FBADHM NC(=O)c1ccc(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)cn1 ZINC000822885723 606633564 /nfs/dbraw/zinc/63/35/64/606633564.db2.gz UQMVXGULZRJZDP-UHFFFAOYSA-N -1 3 374.386 -0.380 20 0 FBADHM NC(=O)c1ccc(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)cn1 ZINC000822885723 606633563 /nfs/dbraw/zinc/63/35/63/606633563.db2.gz UQMVXGULZRJZDP-UHFFFAOYSA-N -1 3 374.386 -0.380 20 0 FBADHM NC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)nc1 ZINC000822886015 606255863 /nfs/dbraw/zinc/25/58/63/606255863.db2.gz YEYLKGQGCLBDGG-UHFFFAOYSA-N -1 3 367.373 -0.349 20 0 FBADHM NC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)nc1 ZINC000822886015 606255861 /nfs/dbraw/zinc/25/58/61/606255861.db2.gz YEYLKGQGCLBDGG-UHFFFAOYSA-N -1 3 367.373 -0.349 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822889669 606072129 /nfs/dbraw/zinc/07/21/29/606072129.db2.gz AOLCWQPYTAAYSC-GFCCVEGCSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822889669 606072127 /nfs/dbraw/zinc/07/21/27/606072127.db2.gz AOLCWQPYTAAYSC-GFCCVEGCSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822889670 606071886 /nfs/dbraw/zinc/07/18/86/606071886.db2.gz AOLCWQPYTAAYSC-LBPRGKRZSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822889670 606071881 /nfs/dbraw/zinc/07/18/81/606071881.db2.gz AOLCWQPYTAAYSC-LBPRGKRZSA-N -1 3 365.419 -0.442 20 0 FBADHM NC(=O)c1cncc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000822889736 606063532 /nfs/dbraw/zinc/06/35/32/606063532.db2.gz DBNIYUGUZJXHHJ-UHFFFAOYSA-N -1 3 352.362 -0.523 20 0 FBADHM NC(=O)c1cncc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000822889736 606063527 /nfs/dbraw/zinc/06/35/27/606063527.db2.gz DBNIYUGUZJXHHJ-UHFFFAOYSA-N -1 3 352.362 -0.523 20 0 FBADHM NC(=O)c1csc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822889755 599353116 /nfs/dbraw/zinc/35/31/16/599353116.db2.gz DPOXTMGFDJHJSX-UHFFFAOYSA-N -1 3 372.370 -0.209 20 0 FBADHM NC(=O)c1csc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822889755 599353114 /nfs/dbraw/zinc/35/31/14/599353114.db2.gz DPOXTMGFDJHJSX-UHFFFAOYSA-N -1 3 372.370 -0.209 20 0 FBADHM NC(=O)c1cncc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000822889891 606057109 /nfs/dbraw/zinc/05/71/09/606057109.db2.gz HIJNMSMZWRVWKX-UHFFFAOYSA-N -1 3 352.362 -0.523 20 0 FBADHM NC(=O)c1cncc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000822889891 606057104 /nfs/dbraw/zinc/05/71/04/606057104.db2.gz HIJNMSMZWRVWKX-UHFFFAOYSA-N -1 3 352.362 -0.523 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822889958 599319304 /nfs/dbraw/zinc/31/93/04/599319304.db2.gz JTWDSLCPHKJKAW-GFCCVEGCSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000822889958 599319301 /nfs/dbraw/zinc/31/93/01/599319301.db2.gz JTWDSLCPHKJKAW-GFCCVEGCSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822889959 599319235 /nfs/dbraw/zinc/31/92/35/599319235.db2.gz JTWDSLCPHKJKAW-LBPRGKRZSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000822889959 599319234 /nfs/dbraw/zinc/31/92/34/599319234.db2.gz JTWDSLCPHKJKAW-LBPRGKRZSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822890018 606568824 /nfs/dbraw/zinc/56/88/24/606568824.db2.gz KQLIYXBELTXNQC-GFCCVEGCSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822890018 606568823 /nfs/dbraw/zinc/56/88/23/606568823.db2.gz KQLIYXBELTXNQC-GFCCVEGCSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822890020 606568620 /nfs/dbraw/zinc/56/86/20/606568620.db2.gz KQLIYXBELTXNQC-LBPRGKRZSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822890020 606568619 /nfs/dbraw/zinc/56/86/19/606568619.db2.gz KQLIYXBELTXNQC-LBPRGKRZSA-N -1 3 350.404 -0.311 20 0 FBADHM NC(=O)c1nccnc1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822890148 606022449 /nfs/dbraw/zinc/02/24/49/606022449.db2.gz MZAYLOHOCQVJOB-UHFFFAOYSA-N -1 3 354.330 -0.436 20 0 FBADHM NC(=O)c1cccnc1N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000822890506 606265795 /nfs/dbraw/zinc/26/57/95/606265795.db2.gz WCDQKALJISAAOW-UHFFFAOYSA-N -1 3 367.373 -0.349 20 0 FBADHM NC(=O)c1cccnc1N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000822890506 606265793 /nfs/dbraw/zinc/26/57/93/606265793.db2.gz WCDQKALJISAAOW-UHFFFAOYSA-N -1 3 367.373 -0.349 20 0 FBADHM NC(=O)c1cncc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC000822890586 606034639 /nfs/dbraw/zinc/03/46/39/606034639.db2.gz YGOCOKFQAKWZDW-UHFFFAOYSA-N -1 3 352.362 -0.523 20 0 FBADHM NC(=O)c1cncc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC000822890586 606034635 /nfs/dbraw/zinc/03/46/35/606034635.db2.gz YGOCOKFQAKWZDW-UHFFFAOYSA-N -1 3 352.362 -0.523 20 0 FBADHM NS(=O)(=O)CCN1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000822894542 606090208 /nfs/dbraw/zinc/09/02/08/606090208.db2.gz AHKKUMIWJUPNFT-UHFFFAOYSA-N -1 3 369.426 -0.588 20 0 FBADHM NS(=O)(=O)CCN1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000822894542 606090206 /nfs/dbraw/zinc/09/02/06/606090206.db2.gz AHKKUMIWJUPNFT-UHFFFAOYSA-N -1 3 369.426 -0.588 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822894545 606560803 /nfs/dbraw/zinc/56/08/03/606560803.db2.gz AKKDUMJYYWDNKJ-GFCCVEGCSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822894545 606560801 /nfs/dbraw/zinc/56/08/01/606560801.db2.gz AKKDUMJYYWDNKJ-GFCCVEGCSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822894546 606560808 /nfs/dbraw/zinc/56/08/08/606560808.db2.gz AKKDUMJYYWDNKJ-LBPRGKRZSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822894546 606560807 /nfs/dbraw/zinc/56/08/07/606560807.db2.gz AKKDUMJYYWDNKJ-LBPRGKRZSA-N -1 3 350.404 -0.311 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCN3C(=O)OC[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC000822894551 606882051 /nfs/dbraw/zinc/88/20/51/606882051.db2.gz APOSNWMOSFFPIS-MRVPVSSYSA-N -1 3 365.375 -0.845 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCN3C(=O)OC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000822894551 606882050 /nfs/dbraw/zinc/88/20/50/606882050.db2.gz APOSNWMOSFFPIS-MRVPVSSYSA-N -1 3 365.375 -0.845 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCN3C(=O)OC[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC000822894552 606882030 /nfs/dbraw/zinc/88/20/30/606882030.db2.gz APOSNWMOSFFPIS-QMMMGPOBSA-N -1 3 365.375 -0.845 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCN3C(=O)OC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000822894552 606882029 /nfs/dbraw/zinc/88/20/29/606882029.db2.gz APOSNWMOSFFPIS-QMMMGPOBSA-N -1 3 365.375 -0.845 20 0 FBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000822894579 606553943 /nfs/dbraw/zinc/55/39/43/606553943.db2.gz BXRJJWLYYWXUDU-MRVPVSSYSA-N -1 3 371.448 -0.427 20 0 FBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000822894579 606553942 /nfs/dbraw/zinc/55/39/42/606553942.db2.gz BXRJJWLYYWXUDU-MRVPVSSYSA-N -1 3 371.448 -0.427 20 0 FBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000822894580 606554187 /nfs/dbraw/zinc/55/41/87/606554187.db2.gz BXRJJWLYYWXUDU-QMMMGPOBSA-N -1 3 371.448 -0.427 20 0 FBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000822894580 606554185 /nfs/dbraw/zinc/55/41/85/606554185.db2.gz BXRJJWLYYWXUDU-QMMMGPOBSA-N -1 3 371.448 -0.427 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(CCOc2ccccc2-c2nnn[n-]2)C1 ZINC000822894584 606072245 /nfs/dbraw/zinc/07/22/45/606072245.db2.gz CBFJHQPQRSINPG-LLVKDONJSA-N -1 3 352.420 -0.002 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(CCOc2ccccc2-c2nnn[n-]2)C1 ZINC000822894585 606072785 /nfs/dbraw/zinc/07/27/85/606072785.db2.gz CBFJHQPQRSINPG-NSHDSACASA-N -1 3 352.420 -0.002 20 0 FBADHM NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)s1 ZINC000822894726 606250322 /nfs/dbraw/zinc/25/03/22/606250322.db2.gz FKEGSBIMUAKFNL-UHFFFAOYSA-N -1 3 353.389 -0.166 20 0 FBADHM NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)s1 ZINC000822894726 606250321 /nfs/dbraw/zinc/25/03/21/606250321.db2.gz FKEGSBIMUAKFNL-UHFFFAOYSA-N -1 3 353.389 -0.166 20 0 FBADHM NS(=O)(=O)Cc1cccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822894742 606268895 /nfs/dbraw/zinc/26/88/95/606268895.db2.gz FTSRITAKMFGJGW-UHFFFAOYSA-N -1 3 361.387 -0.087 20 0 FBADHM NS(=O)(=O)Cc1cccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822894742 606268893 /nfs/dbraw/zinc/26/88/93/606268893.db2.gz FTSRITAKMFGJGW-UHFFFAOYSA-N -1 3 361.387 -0.087 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822894793 607236692 /nfs/dbraw/zinc/23/66/92/607236692.db2.gz GGALLYCADOSBIZ-LLVKDONJSA-N -1 3 351.392 -0.832 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822894793 607236691 /nfs/dbraw/zinc/23/66/91/607236691.db2.gz GGALLYCADOSBIZ-LLVKDONJSA-N -1 3 351.392 -0.832 20 0 FBADHM NS(=O)(=O)[C@H]1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822894794 607236610 /nfs/dbraw/zinc/23/66/10/607236610.db2.gz GGALLYCADOSBIZ-NSHDSACASA-N -1 3 351.392 -0.832 20 0 FBADHM NS(=O)(=O)[C@H]1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822894794 607236609 /nfs/dbraw/zinc/23/66/09/607236609.db2.gz GGALLYCADOSBIZ-NSHDSACASA-N -1 3 351.392 -0.832 20 0 FBADHM NS(=O)(=O)CCN1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822894964 606090645 /nfs/dbraw/zinc/09/06/45/606090645.db2.gz IVYURUSZKLVEJF-UHFFFAOYSA-N -1 3 351.436 -0.727 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822894968 606555593 /nfs/dbraw/zinc/55/55/93/606555593.db2.gz JACFHNBRFNAPCR-GFCCVEGCSA-N -1 3 364.431 -0.064 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822894968 606555592 /nfs/dbraw/zinc/55/55/92/606555592.db2.gz JACFHNBRFNAPCR-GFCCVEGCSA-N -1 3 364.431 -0.064 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822894969 606555526 /nfs/dbraw/zinc/55/55/26/606555526.db2.gz JACFHNBRFNAPCR-LBPRGKRZSA-N -1 3 364.431 -0.064 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822894969 606555525 /nfs/dbraw/zinc/55/55/25/606555525.db2.gz JACFHNBRFNAPCR-LBPRGKRZSA-N -1 3 364.431 -0.064 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000822894991 607235262 /nfs/dbraw/zinc/23/52/62/607235262.db2.gz JUKRCNSLDUSCHC-JTQLQIEISA-N -1 3 351.392 -0.455 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000822894991 607235261 /nfs/dbraw/zinc/23/52/61/607235261.db2.gz JUKRCNSLDUSCHC-JTQLQIEISA-N -1 3 351.392 -0.455 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000822894992 607235174 /nfs/dbraw/zinc/23/51/74/607235174.db2.gz JUKRCNSLDUSCHC-SNVBAGLBSA-N -1 3 351.392 -0.455 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000822894992 607235173 /nfs/dbraw/zinc/23/51/73/607235173.db2.gz JUKRCNSLDUSCHC-SNVBAGLBSA-N -1 3 351.392 -0.455 20 0 FBADHM NS(=O)(=O)N1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822894999 606898295 /nfs/dbraw/zinc/89/82/95/606898295.db2.gz KBSHNHHEMLYPJJ-UHFFFAOYSA-N -1 3 367.435 -0.543 20 0 FBADHM NS(=O)(=O)N1CCN(CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822894999 606898294 /nfs/dbraw/zinc/89/82/94/606898294.db2.gz KBSHNHHEMLYPJJ-UHFFFAOYSA-N -1 3 367.435 -0.543 20 0 FBADHM NS(=O)(=O)CCN1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000822895192 606090063 /nfs/dbraw/zinc/09/00/63/606090063.db2.gz NHSJGFAQWSTHFU-UHFFFAOYSA-N -1 3 351.436 -0.727 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822895197 606684452 /nfs/dbraw/zinc/68/44/52/606684452.db2.gz NKMUIGIVFMPWNY-SSDOTTSWSA-N -1 3 358.330 -0.352 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822895197 606684451 /nfs/dbraw/zinc/68/44/51/606684451.db2.gz NKMUIGIVFMPWNY-SSDOTTSWSA-N -1 3 358.330 -0.352 20 0 FBADHM NS(=O)(=O)[C@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822895198 606684576 /nfs/dbraw/zinc/68/45/76/606684576.db2.gz NKMUIGIVFMPWNY-ZETCQYMHSA-N -1 3 358.330 -0.352 20 0 FBADHM NS(=O)(=O)[C@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822895198 606684575 /nfs/dbraw/zinc/68/45/75/606684575.db2.gz NKMUIGIVFMPWNY-ZETCQYMHSA-N -1 3 358.330 -0.352 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000822895203 606819145 /nfs/dbraw/zinc/81/91/45/606819145.db2.gz NPEJHQAYYZYPOI-MRVPVSSYSA-N -1 3 355.355 -0.100 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000822895203 606819143 /nfs/dbraw/zinc/81/91/43/606819143.db2.gz NPEJHQAYYZYPOI-MRVPVSSYSA-N -1 3 355.355 -0.100 20 0 FBADHM NS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000822895204 606819063 /nfs/dbraw/zinc/81/90/63/606819063.db2.gz NPEJHQAYYZYPOI-QMMMGPOBSA-N -1 3 355.355 -0.100 20 0 FBADHM NS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000822895204 606819061 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NS(=O)(=O)c1ccc(N2CCC[C@H](OCCO)C2)c(-c2nnn[n-]2)c1 ZINC000822895344 599560491 /nfs/dbraw/zinc/56/04/91/599560491.db2.gz PASAYAWMSVDYTQ-JTQLQIEISA-N -1 3 368.419 -0.508 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCC[C@@H](OCCO)C2)c(-c2nn[n-]n2)c1 ZINC000822895345 599560543 /nfs/dbraw/zinc/56/05/43/599560543.db2.gz PASAYAWMSVDYTQ-SNVBAGLBSA-N -1 3 368.419 -0.508 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCC[C@@H](OCCO)C2)c(-c2nnn[n-]2)c1 ZINC000822895345 599560541 /nfs/dbraw/zinc/56/05/41/599560541.db2.gz PASAYAWMSVDYTQ-SNVBAGLBSA-N -1 3 368.419 -0.508 20 0 FBADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822895367 606276209 /nfs/dbraw/zinc/27/62/09/606276209.db2.gz PXHCEUWBDQZALS-UHFFFAOYSA-N -1 3 365.350 -0.089 20 0 FBADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822895367 606276208 /nfs/dbraw/zinc/27/62/08/606276208.db2.gz PXHCEUWBDQZALS-UHFFFAOYSA-N -1 3 365.350 -0.089 20 0 FBADHM NS(=O)(=O)CC1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822895387 606549647 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NS(=O)(=O)c1ccc(N2CCN(CC(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000822895495 599507652 /nfs/dbraw/zinc/50/76/52/599507652.db2.gz SGCJAUUQKILOCD-UHFFFAOYSA-N -1 3 373.389 -0.099 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCN(CC(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000822895495 599507651 /nfs/dbraw/zinc/50/76/51/599507651.db2.gz SGCJAUUQKILOCD-UHFFFAOYSA-N -1 3 373.389 -0.099 20 0 FBADHM NS(=O)(=O)CCN1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000822895576 606090836 /nfs/dbraw/zinc/09/08/36/606090836.db2.gz UHHQIBMJMZXYOL-UHFFFAOYSA-N -1 3 369.426 -0.588 20 0 FBADHM NS(=O)(=O)CCN1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000822895576 606090831 /nfs/dbraw/zinc/09/08/31/606090831.db2.gz UHHQIBMJMZXYOL-UHFFFAOYSA-N -1 3 369.426 -0.588 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822895605 607194818 /nfs/dbraw/zinc/19/48/18/607194818.db2.gz VGGSZFAALHPNAR-MRVPVSSYSA-N -1 3 355.355 -0.100 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822895605 607194817 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NS(=O)(=O)CCN1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000822895616 607071716 /nfs/dbraw/zinc/07/17/16/607071716.db2.gz VNLCGOLXBSGJQT-UHFFFAOYSA-N -1 3 369.426 -0.588 20 0 FBADHM NS(=O)(=O)c1ccc(N[C@@H]2CC(=O)N(C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000822895790 606424651 /nfs/dbraw/zinc/42/46/51/606424651.db2.gz XVWFXIJHEFNBTG-MRVPVSSYSA-N -1 3 363.403 -0.311 20 0 FBADHM NS(=O)(=O)c1ccc(N[C@@H]2CC(=O)N(C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000822895790 606424649 /nfs/dbraw/zinc/42/46/49/606424649.db2.gz XVWFXIJHEFNBTG-MRVPVSSYSA-N -1 3 363.403 -0.311 20 0 FBADHM NS(=O)(=O)c1ccc(N[C@H]2CC(=O)N(C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000822895794 606424619 /nfs/dbraw/zinc/42/46/19/606424619.db2.gz XVWFXIJHEFNBTG-QMMMGPOBSA-N -1 3 363.403 -0.311 20 0 FBADHM NS(=O)(=O)c1ccc(N[C@H]2CC(=O)N(C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000822895794 606424618 /nfs/dbraw/zinc/42/46/18/606424618.db2.gz XVWFXIJHEFNBTG-QMMMGPOBSA-N -1 3 363.403 -0.311 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCN(C3CC3)C(=O)C2)c(-c2nn[n-]n2)c1 ZINC000822895796 606243472 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Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCOCCO)cc1 ZINC000822904121 607507575 /nfs/dbraw/zinc/50/75/75/607507575.db2.gz SJWHJWYXAZYTSL-UHFFFAOYSA-N -1 3 358.362 -0.627 20 0 FBADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822904156 606022223 /nfs/dbraw/zinc/02/22/23/606022223.db2.gz TUSKJXKGDWIORO-UHFFFAOYSA-N -1 3 358.318 -0.541 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CNC(=O)c1ccccc1 ZINC000822904398 607185560 /nfs/dbraw/zinc/18/55/60/607185560.db2.gz XNKRVILOWRJOAF-UHFFFAOYSA-N -1 3 356.346 -0.381 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CNC(=O)c1ccccc1 ZINC000822904398 607185559 /nfs/dbraw/zinc/18/55/59/607185559.db2.gz XNKRVILOWRJOAF-UHFFFAOYSA-N -1 3 356.346 -0.381 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCn2ncnn2)cc1 ZINC000822904443 606775887 /nfs/dbraw/zinc/77/58/87/606775887.db2.gz ZAFFGRAVHBSYHY-UHFFFAOYSA-N -1 3 366.349 -0.949 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCn2ncnn2)cc1 ZINC000822904443 606775885 /nfs/dbraw/zinc/77/58/85/606775885.db2.gz ZAFFGRAVHBSYHY-UHFFFAOYSA-N -1 3 366.349 -0.949 20 0 FBADHM Nc1ccnc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822907635 607324935 /nfs/dbraw/zinc/32/49/35/607324935.db2.gz WNBWFYJTZYUMNN-UHFFFAOYSA-N -1 3 353.346 -0.715 20 0 FBADHM Nc1ccnc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822907635 607324934 /nfs/dbraw/zinc/32/49/34/607324934.db2.gz WNBWFYJTZYUMNN-UHFFFAOYSA-N -1 3 353.346 -0.715 20 0 FBADHM O=C([C@@H](O)C1CCOCC1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822911850 599698048 /nfs/dbraw/zinc/69/80/48/599698048.db2.gz BQLOTRXSEQYRRZ-HNNXBMFYSA-N -1 3 373.417 -0.302 20 0 FBADHM O=C([C@@H](O)C1CCOCC1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822911850 599698047 /nfs/dbraw/zinc/69/80/47/599698047.db2.gz BQLOTRXSEQYRRZ-HNNXBMFYSA-N -1 3 373.417 -0.302 20 0 FBADHM O=C([C@H](O)C1CCOCC1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822911851 599698074 /nfs/dbraw/zinc/69/80/74/599698074.db2.gz BQLOTRXSEQYRRZ-OAHLLOKOSA-N -1 3 373.417 -0.302 20 0 FBADHM O=C([C@H](O)C1CCOCC1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822911851 599698073 /nfs/dbraw/zinc/69/80/73/599698073.db2.gz BQLOTRXSEQYRRZ-OAHLLOKOSA-N -1 3 373.417 -0.302 20 0 FBADHM O=C(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)N1CCCC1 ZINC000822911918 606048077 /nfs/dbraw/zinc/04/80/77/606048077.db2.gz DJZHASPQAXFGPX-UHFFFAOYSA-N -1 3 356.390 -0.467 20 0 FBADHM O=C(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)N1CCCC1 ZINC000822911918 606048071 /nfs/dbraw/zinc/04/80/71/606048071.db2.gz DJZHASPQAXFGPX-UHFFFAOYSA-N -1 3 356.390 -0.467 20 0 FBADHM O=C([C@@H](O)C1CCOCC1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822911990 599696059 /nfs/dbraw/zinc/69/60/59/599696059.db2.gz HTZKBMIEMCUBOE-HNNXBMFYSA-N -1 3 373.417 -0.302 20 0 FBADHM O=C([C@@H](O)C1CCOCC1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000822911990 599696058 /nfs/dbraw/zinc/69/60/58/599696058.db2.gz HTZKBMIEMCUBOE-HNNXBMFYSA-N -1 3 373.417 -0.302 20 0 FBADHM O=C([C@H](O)C1CCOCC1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822911991 599695953 /nfs/dbraw/zinc/69/59/53/599695953.db2.gz HTZKBMIEMCUBOE-OAHLLOKOSA-N -1 3 373.417 -0.302 20 0 FBADHM O=C([C@H](O)C1CCOCC1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000822911991 599695952 /nfs/dbraw/zinc/69/59/52/599695952.db2.gz HTZKBMIEMCUBOE-OAHLLOKOSA-N -1 3 373.417 -0.302 20 0 FBADHM Nc1nsc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000822912093 606953748 /nfs/dbraw/zinc/95/37/48/606953748.db2.gz MJOVCLYCEPYKIO-UHFFFAOYSA-N -1 3 358.391 -0.342 20 0 FBADHM Nc1nsc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000822912093 606953746 /nfs/dbraw/zinc/95/37/46/606953746.db2.gz MJOVCLYCEPYKIO-UHFFFAOYSA-N -1 3 358.391 -0.342 20 0 FBADHM O=C([C@@H](O)C1CCOCC1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822912227 599696056 /nfs/dbraw/zinc/69/60/56/599696056.db2.gz RRKYCPGLLNRQIC-AWEZNQCLSA-N -1 3 373.417 -0.302 20 0 FBADHM O=C([C@@H](O)C1CCOCC1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822912227 599696055 /nfs/dbraw/zinc/69/60/55/599696055.db2.gz RRKYCPGLLNRQIC-AWEZNQCLSA-N -1 3 373.417 -0.302 20 0 FBADHM O=C([C@H](O)C1CCOCC1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822912228 599695944 /nfs/dbraw/zinc/69/59/44/599695944.db2.gz RRKYCPGLLNRQIC-CQSZACIVSA-N -1 3 373.417 -0.302 20 0 FBADHM O=C([C@H](O)C1CCOCC1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822912228 599695943 /nfs/dbraw/zinc/69/59/43/599695943.db2.gz RRKYCPGLLNRQIC-CQSZACIVSA-N -1 3 373.417 -0.302 20 0 FBADHM Nc1nonc1C(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822912415 606374541 /nfs/dbraw/zinc/37/45/41/606374541.db2.gz ZFRPVKTVQAIUIH-LURJTMIESA-N -1 3 362.331 -0.144 20 0 FBADHM Nc1nonc1C(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822912415 606374538 /nfs/dbraw/zinc/37/45/38/606374538.db2.gz ZFRPVKTVQAIUIH-LURJTMIESA-N -1 3 362.331 -0.144 20 0 FBADHM Nc1nonc1C(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822912416 606374163 /nfs/dbraw/zinc/37/41/63/606374163.db2.gz ZFRPVKTVQAIUIH-ZCFIWIBFSA-N -1 3 362.331 -0.144 20 0 FBADHM Nc1nonc1C(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822912416 606374161 /nfs/dbraw/zinc/37/41/61/606374161.db2.gz ZFRPVKTVQAIUIH-ZCFIWIBFSA-N -1 3 362.331 -0.144 20 0 FBADHM Nc1nonc1C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822912422 599658972 /nfs/dbraw/zinc/65/89/72/599658972.db2.gz ZMFLGQJKNDWKJE-SECBINFHSA-N -1 3 356.302 -0.206 20 0 FBADHM Nc1nonc1C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822912422 599658971 /nfs/dbraw/zinc/65/89/71/599658971.db2.gz ZMFLGQJKNDWKJE-SECBINFHSA-N -1 3 356.302 -0.206 20 0 FBADHM Nc1nonc1C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822912423 599658877 /nfs/dbraw/zinc/65/88/77/599658877.db2.gz ZMFLGQJKNDWKJE-VIFPVBQESA-N -1 3 356.302 -0.206 20 0 FBADHM Nc1nonc1C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822912423 599658876 /nfs/dbraw/zinc/65/88/76/599658876.db2.gz ZMFLGQJKNDWKJE-VIFPVBQESA-N -1 3 356.302 -0.206 20 0 FBADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1C[C@H](O)C[C@H](O)C1 ZINC000822916846 606688434 /nfs/dbraw/zinc/68/84/34/606688434.db2.gz GEFXXPGVNQSSEU-QLFBSQMISA-N -1 3 358.402 -0.210 20 0 FBADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1C[C@H](O)C[C@H](O)C1 ZINC000822916847 606688277 /nfs/dbraw/zinc/68/82/77/606688277.db2.gz GEFXXPGVNQSSEU-ZNMIVQPWSA-N -1 3 358.402 -0.210 20 0 FBADHM O=C(CCCN1C(=O)CNC1=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822954764 599170281 /nfs/dbraw/zinc/17/02/81/599170281.db2.gz CCRVGUDPIXCLKV-UHFFFAOYSA-N -1 3 361.337 -0.046 20 0 FBADHM O=C(CCCN1C(=O)CNC1=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822954764 599170278 /nfs/dbraw/zinc/17/02/78/599170278.db2.gz CCRVGUDPIXCLKV-UHFFFAOYSA-N -1 3 361.337 -0.046 20 0 FBADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCC(=O)NCCO ZINC000822955169 607319586 /nfs/dbraw/zinc/31/95/86/607319586.db2.gz KUIKLUQPINZFGH-UHFFFAOYSA-N -1 3 362.390 -0.360 20 0 FBADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCC(=O)NCCO ZINC000822955169 607319585 /nfs/dbraw/zinc/31/95/85/607319585.db2.gz KUIKLUQPINZFGH-UHFFFAOYSA-N -1 3 362.390 -0.360 20 0 FBADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)OCCCO ZINC000822955250 599661829 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FBADHM O=C(CCN1CCN2C(=O)NC[C@H]2C1)Nc1sccc1-c1nn[n-]n1 ZINC000822969683 606455809 /nfs/dbraw/zinc/45/58/09/606455809.db2.gz WXBDHJNHKYMHFE-VIFPVBQESA-N -1 3 362.419 -0.034 20 0 FBADHM O=C(CCN1CCN2C(=O)NC[C@H]2C1)Nc1sccc1-c1nnn[n-]1 ZINC000822969683 606455807 /nfs/dbraw/zinc/45/58/07/606455807.db2.gz WXBDHJNHKYMHFE-VIFPVBQESA-N -1 3 362.419 -0.034 20 0 FBADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(CCO)CCN1CCOCC1 ZINC000822974403 607366403 /nfs/dbraw/zinc/36/64/03/607366403.db2.gz LBJJLUAXAWVFQI-UHFFFAOYSA-N -1 3 374.445 -0.048 20 0 FBADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(CCO)CCN1CCOCC1 ZINC000822974403 607366401 /nfs/dbraw/zinc/36/64/01/607366401.db2.gz LBJJLUAXAWVFQI-UHFFFAOYSA-N -1 3 374.445 -0.048 20 0 FBADHM O=C(CN(CCO)CCO)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000822991773 607449772 /nfs/dbraw/zinc/44/97/72/607449772.db2.gz GDMQJIHRVFNFNM-UHFFFAOYSA-N -1 3 372.389 -0.723 20 0 FBADHM O=C(CN1CCN2C(=O)OC[C@H]2C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822996227 606917761 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FBADHM O=C(CN1CCN2C(=O)NC[C@H]2C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822996242 606456010 /nfs/dbraw/zinc/45/60/10/606456010.db2.gz BBLFHYKELQPUAL-ZDUSSCGKSA-N -1 3 356.390 -0.808 20 0 FBADHM O=C(CN1CCN2C(=O)NC[C@H]2C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822996242 606456009 /nfs/dbraw/zinc/45/60/09/606456009.db2.gz BBLFHYKELQPUAL-ZDUSSCGKSA-N -1 3 356.390 -0.808 20 0 FBADHM O=C(CN1CCCS1(=O)=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822996284 599181630 /nfs/dbraw/zinc/18/16/30/599181630.db2.gz BKFAKHZJDBFUHN-UHFFFAOYSA-N -1 3 354.367 -0.343 20 0 FBADHM O=C(CN1CCCS1(=O)=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822996284 599181628 /nfs/dbraw/zinc/18/16/28/599181628.db2.gz BKFAKHZJDBFUHN-UHFFFAOYSA-N -1 3 354.367 -0.343 20 0 FBADHM O=C(CN1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1)NC1CC1 ZINC000822996305 606534459 /nfs/dbraw/zinc/53/44/59/606534459.db2.gz BPSVNXXGJIPCQR-UHFFFAOYSA-N -1 3 361.431 -0.035 20 0 FBADHM O=C(CN1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1)NC1CC1 ZINC000822996305 606534458 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O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000823005389 606585371 /nfs/dbraw/zinc/58/53/71/606585371.db2.gz PKOMGQGSLVQEAL-GFCCVEGCSA-N -1 3 369.385 -0.524 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000823005390 606585269 /nfs/dbraw/zinc/58/52/69/606585269.db2.gz PKOMGQGSLVQEAL-LBPRGKRZSA-N -1 3 369.385 -0.524 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000823005390 606585267 /nfs/dbraw/zinc/58/52/67/606585267.db2.gz PKOMGQGSLVQEAL-LBPRGKRZSA-N -1 3 369.385 -0.524 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1nnnn1C1CC1 ZINC000823005393 599495378 /nfs/dbraw/zinc/49/53/78/599495378.db2.gz PNAPJRKHFTZADS-UHFFFAOYSA-N -1 3 368.361 -0.766 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1nnnn1C1CC1 ZINC000823005393 599495375 /nfs/dbraw/zinc/49/53/75/599495375.db2.gz PNAPJRKHFTZADS-UHFFFAOYSA-N -1 3 368.361 -0.766 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@]1(CCO)CCOC1 ZINC000823005404 606819857 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FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCn2ncnc21 ZINC000823005432 606557781 /nfs/dbraw/zinc/55/77/81/606557781.db2.gz QSXQBNFHMSZLDZ-LBPRGKRZSA-N -1 3 367.373 -0.161 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCn2ncnc21 ZINC000823005432 606557780 /nfs/dbraw/zinc/55/77/80/606557780.db2.gz QSXQBNFHMSZLDZ-LBPRGKRZSA-N -1 3 367.373 -0.161 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCC1(O)CCOCC1 ZINC000823005458 606286216 /nfs/dbraw/zinc/28/62/16/606286216.db2.gz SBTFQPSSKBRRIR-UHFFFAOYSA-N -1 3 360.374 -0.746 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCC1(O)CCOCC1 ZINC000823005458 606286215 /nfs/dbraw/zinc/28/62/15/606286215.db2.gz SBTFQPSSKBRRIR-UHFFFAOYSA-N -1 3 360.374 -0.746 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)c1cccnc1 ZINC000823005473 607440041 /nfs/dbraw/zinc/44/00/41/607440041.db2.gz SLEGEXXLKXOAAC-AWEZNQCLSA-N -1 3 367.369 -0.159 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H](O)c1cccnc1 ZINC000823005473 607440040 /nfs/dbraw/zinc/44/00/40/607440040.db2.gz SLEGEXXLKXOAAC-AWEZNQCLSA-N -1 3 367.369 -0.159 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H](O)c1cccnc1 ZINC000823005474 607439720 /nfs/dbraw/zinc/43/97/20/607439720.db2.gz SLEGEXXLKXOAAC-CQSZACIVSA-N -1 3 367.369 -0.159 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H](O)c1cccnc1 ZINC000823005474 607439718 /nfs/dbraw/zinc/43/97/18/607439718.db2.gz SLEGEXXLKXOAAC-CQSZACIVSA-N -1 3 367.369 -0.159 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@]1(O)CCSC1 ZINC000823005490 606299874 /nfs/dbraw/zinc/29/98/74/606299874.db2.gz TUVVAXZTEHLKHX-HNNXBMFYSA-N -1 3 362.415 -0.419 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@]1(O)CCSC1 ZINC000823005490 606299873 /nfs/dbraw/zinc/29/98/73/606299873.db2.gz TUVVAXZTEHLKHX-HNNXBMFYSA-N -1 3 362.415 -0.419 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@]1(O)CCSC1 ZINC000823005491 606300117 /nfs/dbraw/zinc/30/01/17/606300117.db2.gz TUVVAXZTEHLKHX-OAHLLOKOSA-N -1 3 362.415 -0.419 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@]1(O)CCSC1 ZINC000823005491 606300115 /nfs/dbraw/zinc/30/01/15/606300115.db2.gz TUVVAXZTEHLKHX-OAHLLOKOSA-N -1 3 362.415 -0.419 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCCCN1CCOCC1 ZINC000823005533 606191711 /nfs/dbraw/zinc/19/17/11/606191711.db2.gz VLYOYFGFFGXVIT-UHFFFAOYSA-N -1 3 374.401 -0.138 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H](O)C(F)(F)F ZINC000823005617 606291927 /nfs/dbraw/zinc/29/19/27/606291927.db2.gz YSCAOBSTMNIROM-SECBINFHSA-N -1 3 358.280 -0.364 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H](O)C(F)(F)F ZINC000823005617 606291925 /nfs/dbraw/zinc/29/19/25/606291925.db2.gz YSCAOBSTMNIROM-SECBINFHSA-N -1 3 358.280 -0.364 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)C(F)(F)F ZINC000823005618 606291731 /nfs/dbraw/zinc/29/17/31/606291731.db2.gz YSCAOBSTMNIROM-VIFPVBQESA-N -1 3 358.280 -0.364 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H](O)C(F)(F)F ZINC000823005618 606291729 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O=C(COC(=O)C[C@@H]1COC(=O)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823017515 607116989 /nfs/dbraw/zinc/11/69/89/607116989.db2.gz AVWCPCQTWXQBIQ-LLVKDONJSA-N -1 3 359.342 -0.021 20 0 FBADHM O=C(COC(=O)C[C@@H]1COC(=O)C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823017515 607116987 /nfs/dbraw/zinc/11/69/87/607116987.db2.gz AVWCPCQTWXQBIQ-LLVKDONJSA-N -1 3 359.342 -0.021 20 0 FBADHM O=C(COC(=O)C[C@H]1COC(=O)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823017516 607117231 /nfs/dbraw/zinc/11/72/31/607117231.db2.gz AVWCPCQTWXQBIQ-NSHDSACASA-N -1 3 359.342 -0.021 20 0 FBADHM O=C(COC(=O)C[C@H]1COC(=O)C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823017516 607117229 /nfs/dbraw/zinc/11/72/29/607117229.db2.gz AVWCPCQTWXQBIQ-NSHDSACASA-N -1 3 359.342 -0.021 20 0 FBADHM O=C(COC(=O)[C@@H]1CCNC(=O)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823017713 606761998 /nfs/dbraw/zinc/76/19/98/606761998.db2.gz CILSWEGQQIQHJZ-GFCCVEGCSA-N -1 3 358.358 -0.448 20 0 FBADHM O=C(COC(=O)[C@@H]1CCNC(=O)C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823017713 606761996 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C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824039618 609223022 /nfs/dbraw/zinc/22/30/22/609223022.db2.gz FZQLDAQXYYVPNQ-LBPRGKRZSA-N -1 3 372.433 -0.037 20 0 FBADHM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824041140 609191837 /nfs/dbraw/zinc/19/18/37/609191837.db2.gz XTEMFXCWNSVTLU-JTQLQIEISA-N -1 3 358.406 -0.380 20 0 FBADHM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824041140 609191835 /nfs/dbraw/zinc/19/18/35/609191835.db2.gz XTEMFXCWNSVTLU-JTQLQIEISA-N -1 3 358.406 -0.380 20 0 FBADHM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824041142 609191559 /nfs/dbraw/zinc/19/15/59/609191559.db2.gz XTEMFXCWNSVTLU-SNVBAGLBSA-N -1 3 358.406 -0.380 20 0 FBADHM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824041142 609191558 /nfs/dbraw/zinc/19/15/58/609191558.db2.gz XTEMFXCWNSVTLU-SNVBAGLBSA-N -1 3 358.406 -0.380 20 0 FBADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(C(=O)CO)CC1 ZINC000824045057 608002576 /nfs/dbraw/zinc/00/25/76/608002576.db2.gz FHSGEFVSCKSOHK-LLVKDONJSA-N -1 3 359.390 -0.670 20 0 FBADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(C(=O)CO)CC1 ZINC000824045057 608002575 /nfs/dbraw/zinc/00/25/75/608002575.db2.gz FHSGEFVSCKSOHK-LLVKDONJSA-N -1 3 359.390 -0.670 20 0 FBADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(C(=O)CO)CC1 ZINC000824045058 608002824 /nfs/dbraw/zinc/00/28/24/608002824.db2.gz FHSGEFVSCKSOHK-NSHDSACASA-N -1 3 359.390 -0.670 20 0 FBADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(C(=O)CO)CC1 ZINC000824045058 608002823 /nfs/dbraw/zinc/00/28/23/608002823.db2.gz FHSGEFVSCKSOHK-NSHDSACASA-N -1 3 359.390 -0.670 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(C(=O)CO)CC1 ZINC000824045113 608002808 /nfs/dbraw/zinc/00/28/08/608002808.db2.gz GOQYCBOBKAWAPE-LLVKDONJSA-N -1 3 359.390 -0.670 20 0 FBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(C(=O)CO)CC1 ZINC000824045113 608002807 /nfs/dbraw/zinc/00/28/07/608002807.db2.gz GOQYCBOBKAWAPE-LLVKDONJSA-N -1 3 359.390 -0.670 20 0 FBADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(C(=O)CO)CC1 ZINC000824045114 608002631 /nfs/dbraw/zinc/00/26/31/608002631.db2.gz GOQYCBOBKAWAPE-NSHDSACASA-N -1 3 359.390 -0.670 20 0 FBADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(C(=O)CO)CC1 ZINC000824045114 608002630 /nfs/dbraw/zinc/00/26/30/608002630.db2.gz GOQYCBOBKAWAPE-NSHDSACASA-N -1 3 359.390 -0.670 20 0 FBADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000824051607 608222562 /nfs/dbraw/zinc/22/25/62/608222562.db2.gz AIVJOFYHNVWCLO-NXEZZACHSA-N -1 3 367.435 -0.046 20 0 FBADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000824051607 608222561 /nfs/dbraw/zinc/22/25/61/608222561.db2.gz AIVJOFYHNVWCLO-NXEZZACHSA-N -1 3 367.435 -0.046 20 0 FBADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000824051608 608222349 /nfs/dbraw/zinc/22/23/49/608222349.db2.gz AIVJOFYHNVWCLO-UWVGGRQHSA-N -1 3 367.435 -0.046 20 0 FBADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000824051608 608222348 /nfs/dbraw/zinc/22/23/48/608222348.db2.gz AIVJOFYHNVWCLO-UWVGGRQHSA-N -1 3 367.435 -0.046 20 0 FBADHM C[C@H]([C@H](C)N(C)C(=O)CNc1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC000824051609 608222258 /nfs/dbraw/zinc/22/22/58/608222258.db2.gz AIVJOFYHNVWCLO-VHSXEESVSA-N -1 3 367.435 -0.046 20 0 FBADHM C[C@H]([C@H](C)N(C)C(=O)CNc1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC000824051609 608222256 /nfs/dbraw/zinc/22/22/56/608222256.db2.gz AIVJOFYHNVWCLO-VHSXEESVSA-N -1 3 367.435 -0.046 20 0 FBADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000824051610 608222618 /nfs/dbraw/zinc/22/26/18/608222618.db2.gz AIVJOFYHNVWCLO-ZJUUUORDSA-N -1 3 367.435 -0.046 20 0 FBADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000824051610 608222617 /nfs/dbraw/zinc/22/26/17/608222617.db2.gz AIVJOFYHNVWCLO-ZJUUUORDSA-N -1 3 367.435 -0.046 20 0 FBADHM C[C@@H](C(N)=O)N(C)CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824051687 608221105 /nfs/dbraw/zinc/22/11/05/608221105.db2.gz CAMSZEPFVMSUDP-JTQLQIEISA-N -1 3 372.389 -0.606 20 0 FBADHM C[C@@H](C(N)=O)N(C)CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824051687 608221104 /nfs/dbraw/zinc/22/11/04/608221104.db2.gz CAMSZEPFVMSUDP-JTQLQIEISA-N -1 3 372.389 -0.606 20 0 FBADHM C[C@H](C(N)=O)N(C)CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824051688 608221159 /nfs/dbraw/zinc/22/11/59/608221159.db2.gz CAMSZEPFVMSUDP-SNVBAGLBSA-N -1 3 372.389 -0.606 20 0 FBADHM C[C@H](C(N)=O)N(C)CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824051688 608221158 /nfs/dbraw/zinc/22/11/58/608221158.db2.gz CAMSZEPFVMSUDP-SNVBAGLBSA-N -1 3 372.389 -0.606 20 0 FBADHM C[C@@H](C(N)=O)N(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824051787 608270170 /nfs/dbraw/zinc/27/01/70/608270170.db2.gz DWRBACLYQAVLPI-JTQLQIEISA-N -1 3 373.421 -0.254 20 0 FBADHM C[C@@H](C(N)=O)N(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824051787 608270169 /nfs/dbraw/zinc/27/01/69/608270169.db2.gz DWRBACLYQAVLPI-JTQLQIEISA-N -1 3 373.421 -0.254 20 0 FBADHM C[C@H](C(N)=O)N(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824051788 608270376 /nfs/dbraw/zinc/27/03/76/608270376.db2.gz DWRBACLYQAVLPI-SNVBAGLBSA-N -1 3 373.421 -0.254 20 0 FBADHM C[C@H](C(N)=O)N(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824051788 608270375 /nfs/dbraw/zinc/27/03/75/608270375.db2.gz DWRBACLYQAVLPI-SNVBAGLBSA-N -1 3 373.421 -0.254 20 0 FBADHM C[C@H](C(N)=O)N(C)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824051829 608221030 /nfs/dbraw/zinc/22/10/30/608221030.db2.gz GCANXZUQQRYZPE-ABKXIKBNSA-N -1 3 372.389 -0.603 20 0 FBADHM C[C@H](C(N)=O)N(C)CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824051829 608221028 /nfs/dbraw/zinc/22/10/28/608221028.db2.gz GCANXZUQQRYZPE-ABKXIKBNSA-N -1 3 372.389 -0.603 20 0 FBADHM C[C@@H](C(N)=O)N(C)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824051830 608220965 /nfs/dbraw/zinc/22/09/65/608220965.db2.gz GCANXZUQQRYZPE-FVMDXXJSSA-N -1 3 372.389 -0.603 20 0 FBADHM C[C@@H](C(N)=O)N(C)CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824051830 608220964 /nfs/dbraw/zinc/22/09/64/608220964.db2.gz GCANXZUQQRYZPE-FVMDXXJSSA-N -1 3 372.389 -0.603 20 0 FBADHM C[C@H](C(N)=O)N(C)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824051831 608220960 /nfs/dbraw/zinc/22/09/60/608220960.db2.gz GCANXZUQQRYZPE-JDNHERCYSA-N -1 3 372.389 -0.603 20 0 FBADHM C[C@H](C(N)=O)N(C)CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824051831 608220959 /nfs/dbraw/zinc/22/09/59/608220959.db2.gz GCANXZUQQRYZPE-JDNHERCYSA-N -1 3 372.389 -0.603 20 0 FBADHM C[C@@H](C(N)=O)N(C)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824051832 608221073 /nfs/dbraw/zinc/22/10/73/608221073.db2.gz GCANXZUQQRYZPE-XXFAHNHDSA-N -1 3 372.389 -0.603 20 0 FBADHM C[C@@H](C(N)=O)N(C)CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824051832 608221072 /nfs/dbraw/zinc/22/10/72/608221072.db2.gz GCANXZUQQRYZPE-XXFAHNHDSA-N -1 3 372.389 -0.603 20 0 FBADHM C[C@@H](C(N)=O)N(C)CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000824052016 608221112 /nfs/dbraw/zinc/22/11/12/608221112.db2.gz KGJJFBBVDFSITE-JTQLQIEISA-N -1 3 372.389 -0.606 20 0 FBADHM C[C@@H](C(N)=O)N(C)CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000824052016 608221110 /nfs/dbraw/zinc/22/11/10/608221110.db2.gz KGJJFBBVDFSITE-JTQLQIEISA-N -1 3 372.389 -0.606 20 0 FBADHM C[C@H](C(N)=O)N(C)CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000824052018 608221271 /nfs/dbraw/zinc/22/12/71/608221271.db2.gz KGJJFBBVDFSITE-SNVBAGLBSA-N -1 3 372.389 -0.606 20 0 FBADHM C[C@H](C(N)=O)N(C)CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000824052018 608221270 /nfs/dbraw/zinc/22/12/70/608221270.db2.gz KGJJFBBVDFSITE-SNVBAGLBSA-N -1 3 372.389 -0.606 20 0 FBADHM C[C@H](C(N)=O)N(C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000824052302 608278099 /nfs/dbraw/zinc/27/80/99/608278099.db2.gz MUTPWJLKEQUOCO-MRVPVSSYSA-N -1 3 355.362 -0.420 20 0 FBADHM C[C@H](C(N)=O)N(C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000824052302 608278098 /nfs/dbraw/zinc/27/80/98/608278098.db2.gz MUTPWJLKEQUOCO-MRVPVSSYSA-N -1 3 355.362 -0.420 20 0 FBADHM C[C@@H](C(N)=O)N(C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000824052314 608277712 /nfs/dbraw/zinc/27/77/12/608277712.db2.gz MUTPWJLKEQUOCO-QMMMGPOBSA-N -1 3 355.362 -0.420 20 0 FBADHM C[C@@H](C(N)=O)N(C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000824052314 608277710 /nfs/dbraw/zinc/27/77/10/608277710.db2.gz MUTPWJLKEQUOCO-QMMMGPOBSA-N -1 3 355.362 -0.420 20 0 FBADHM C[C@@H](C(N)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824053400 608278096 /nfs/dbraw/zinc/27/80/96/608278096.db2.gz XZHWHLSPPQXHTP-LURJTMIESA-N -1 3 351.754 -0.209 20 0 FBADHM C[C@@H](C(N)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824053400 608278095 /nfs/dbraw/zinc/27/80/95/608278095.db2.gz XZHWHLSPPQXHTP-LURJTMIESA-N -1 3 351.754 -0.209 20 0 FBADHM C[C@H](C(N)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824053402 608277736 /nfs/dbraw/zinc/27/77/36/608277736.db2.gz 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ZINC000824295825 608225368 /nfs/dbraw/zinc/22/53/68/608225368.db2.gz AKLSHQXHLPXYGD-JTQLQIEISA-N -1 3 358.362 -0.674 20 0 FBADHM CC(C)N1C(=O)C[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1=O ZINC000824295833 608225183 /nfs/dbraw/zinc/22/51/83/608225183.db2.gz AKLSHQXHLPXYGD-SNVBAGLBSA-N -1 3 358.362 -0.674 20 0 FBADHM CC(C)N1C(=O)C[C@@H](NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1=O ZINC000824295833 608225182 /nfs/dbraw/zinc/22/51/82/608225182.db2.gz AKLSHQXHLPXYGD-SNVBAGLBSA-N -1 3 358.362 -0.674 20 0 FBADHM CC(C)N1C(=O)C[C@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824296035 609243634 /nfs/dbraw/zinc/24/36/34/609243634.db2.gz DBKOKLYXRCNLSI-AAEUAGOBSA-N -1 3 358.358 -0.448 20 0 FBADHM CC(C)N1C(=O)C[C@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824296035 609243632 /nfs/dbraw/zinc/24/36/32/609243632.db2.gz DBKOKLYXRCNLSI-AAEUAGOBSA-N -1 3 358.358 -0.448 20 0 FBADHM CC(C)N1C(=O)C[C@@H](NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824296036 609243681 /nfs/dbraw/zinc/24/36/81/609243681.db2.gz DBKOKLYXRCNLSI-DGCLKSJQSA-N -1 3 358.358 -0.448 20 0 FBADHM CC(C)N1C(=O)C[C@@H](NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824296036 609243679 /nfs/dbraw/zinc/24/36/79/609243679.db2.gz DBKOKLYXRCNLSI-DGCLKSJQSA-N -1 3 358.358 -0.448 20 0 FBADHM CC(C)N1C(=O)C[C@H](NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824296037 609243430 /nfs/dbraw/zinc/24/34/30/609243430.db2.gz DBKOKLYXRCNLSI-WCQYABFASA-N -1 3 358.358 -0.448 20 0 FBADHM CC(C)N1C(=O)C[C@H](NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824296037 609243428 /nfs/dbraw/zinc/24/34/28/609243428.db2.gz DBKOKLYXRCNLSI-WCQYABFASA-N -1 3 358.358 -0.448 20 0 FBADHM CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824296038 609243453 /nfs/dbraw/zinc/24/34/53/609243453.db2.gz DBKOKLYXRCNLSI-YPMHNXCESA-N -1 3 358.358 -0.448 20 0 FBADHM CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824296038 609243451 /nfs/dbraw/zinc/24/34/51/609243451.db2.gz DBKOKLYXRCNLSI-YPMHNXCESA-N -1 3 358.358 -0.448 20 0 FBADHM CC(C)N1C(=O)N[C@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1=O ZINC000824296707 607672990 /nfs/dbraw/zinc/67/29/90/607672990.db2.gz KKZGINHMNZXEQO-HNNXBMFYSA-N -1 3 358.362 -0.260 20 0 FBADHM CC(C)N1C(=O)N[C@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1=O ZINC000824296707 607672988 /nfs/dbraw/zinc/67/29/88/607672988.db2.gz KKZGINHMNZXEQO-HNNXBMFYSA-N -1 3 358.362 -0.260 20 0 FBADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1=O ZINC000824296710 607672762 /nfs/dbraw/zinc/67/27/62/607672762.db2.gz KKZGINHMNZXEQO-OAHLLOKOSA-N -1 3 358.362 -0.260 20 0 FBADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1=O ZINC000824296710 607672760 /nfs/dbraw/zinc/67/27/60/607672760.db2.gz KKZGINHMNZXEQO-OAHLLOKOSA-N -1 3 358.362 -0.260 20 0 FBADHM CC(C)N1C(=O)N[C@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)C2)C1=O ZINC000824296937 607673208 /nfs/dbraw/zinc/67/32/08/607673208.db2.gz MPNXEFHUMZUKGO-INIZCTEOSA-N -1 3 372.389 -0.250 20 0 FBADHM CC(C)N1C(=O)N[C@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)C2)C1=O ZINC000824296937 607673207 /nfs/dbraw/zinc/67/32/07/607673207.db2.gz MPNXEFHUMZUKGO-INIZCTEOSA-N -1 3 372.389 -0.250 20 0 FBADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)C2)C1=O ZINC000824296938 607673220 /nfs/dbraw/zinc/67/32/20/607673220.db2.gz MPNXEFHUMZUKGO-MRXNPFEDSA-N -1 3 372.389 -0.250 20 0 FBADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)C2)C1=O ZINC000824296938 607673219 /nfs/dbraw/zinc/67/32/19/607673219.db2.gz MPNXEFHUMZUKGO-MRXNPFEDSA-N -1 3 372.389 -0.250 20 0 FBADHM CC(C)N1C(=O)N[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC000824297352 607756561 /nfs/dbraw/zinc/75/65/61/607756561.db2.gz UDWSQQWKHHGAPM-HNNXBMFYSA-N -1 3 358.362 -0.260 20 0 FBADHM CC(C)N1C(=O)N[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1=O ZINC000824297352 607756560 /nfs/dbraw/zinc/75/65/60/607756560.db2.gz UDWSQQWKHHGAPM-HNNXBMFYSA-N -1 3 358.362 -0.260 20 0 FBADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC000824297354 607756667 /nfs/dbraw/zinc/75/66/67/607756667.db2.gz UDWSQQWKHHGAPM-OAHLLOKOSA-N -1 3 358.362 -0.260 20 0 FBADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1=O ZINC000824297354 607756666 /nfs/dbraw/zinc/75/66/66/607756666.db2.gz UDWSQQWKHHGAPM-OAHLLOKOSA-N -1 3 358.362 -0.260 20 0 FBADHM CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1=O ZINC000824297607 607659895 /nfs/dbraw/zinc/65/98/95/607659895.db2.gz XSHZFXSDWCTLGE-JTQLQIEISA-N -1 3 364.387 -0.319 20 0 FBADHM CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1=O ZINC000824297607 607659894 /nfs/dbraw/zinc/65/98/94/607659894.db2.gz XSHZFXSDWCTLGE-JTQLQIEISA-N -1 3 364.387 -0.319 20 0 FBADHM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1=O ZINC000824297612 607660056 /nfs/dbraw/zinc/66/00/56/607660056.db2.gz XSHZFXSDWCTLGE-SNVBAGLBSA-N -1 3 364.387 -0.319 20 0 FBADHM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1=O ZINC000824297612 607660054 /nfs/dbraw/zinc/66/00/54/607660054.db2.gz XSHZFXSDWCTLGE-SNVBAGLBSA-N -1 3 364.387 -0.319 20 0 FBADHM CC(C)N1CCO[C@@H](CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC000824300040 608413484 /nfs/dbraw/zinc/41/34/84/608413484.db2.gz AEXKISTUNXOEHR-AWEZNQCLSA-N -1 3 373.465 -0.112 20 0 FBADHM CC(C)N1CCO[C@H](CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC000824300041 608413144 /nfs/dbraw/zinc/41/31/44/608413144.db2.gz AEXKISTUNXOEHR-CQSZACIVSA-N -1 3 373.465 -0.112 20 0 FBADHM CC(C)N1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1=O ZINC000824300678 609179754 /nfs/dbraw/zinc/17/97/54/609179754.db2.gz IXZULRKEIHDIOL-UHFFFAOYSA-N -1 3 373.421 -0.064 20 0 FBADHM CC(C)N1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1=O ZINC000824300678 609179751 /nfs/dbraw/zinc/17/97/51/609179751.db2.gz IXZULRKEIHDIOL-UHFFFAOYSA-N -1 3 373.421 -0.064 20 0 FBADHM CC(C)N1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000824300946 609136717 /nfs/dbraw/zinc/13/67/17/609136717.db2.gz NQCWQNZKPSSPMN-UHFFFAOYSA-N -1 3 357.374 -0.116 20 0 FBADHM CC(C)N1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000824300946 609136715 /nfs/dbraw/zinc/13/67/15/609136715.db2.gz NQCWQNZKPSSPMN-UHFFFAOYSA-N -1 3 357.374 -0.116 20 0 FBADHM CC(C)N1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1=O ZINC000824300989 609572387 /nfs/dbraw/zinc/57/23/87/609572387.db2.gz PJKDWKIRQPQZOT-UHFFFAOYSA-N -1 3 365.419 -0.429 20 0 FBADHM CC(C)N1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1=O ZINC000824300989 609572385 /nfs/dbraw/zinc/57/23/85/609572385.db2.gz PJKDWKIRQPQZOT-UHFFFAOYSA-N -1 3 365.419 -0.429 20 0 FBADHM CC(C)N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000824301102 609137023 /nfs/dbraw/zinc/13/70/23/609137023.db2.gz QDHVLBJKLTWBIX-UHFFFAOYSA-N -1 3 357.374 -0.116 20 0 FBADHM CC(C)N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000824301102 609137021 /nfs/dbraw/zinc/13/70/21/609137021.db2.gz QDHVLBJKLTWBIX-UHFFFAOYSA-N -1 3 357.374 -0.116 20 0 FBADHM CC(C)N1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1=O ZINC000824301254 609592678 /nfs/dbraw/zinc/59/26/78/609592678.db2.gz VGWDIHQGTHHQSN-UHFFFAOYSA-N -1 3 373.421 -0.064 20 0 FBADHM CC(C)N1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CC1=O ZINC000824301254 609592677 /nfs/dbraw/zinc/59/26/77/609592677.db2.gz VGWDIHQGTHHQSN-UHFFFAOYSA-N -1 3 373.421 -0.064 20 0 FBADHM CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000824301391 607688460 /nfs/dbraw/zinc/68/84/60/607688460.db2.gz WYVLPXFRQBZSBD-UHFFFAOYSA-N -1 3 360.378 -0.996 20 0 FBADHM CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000824301391 607688458 /nfs/dbraw/zinc/68/84/58/607688458.db2.gz WYVLPXFRQBZSBD-UHFFFAOYSA-N -1 3 360.378 -0.996 20 0 FBADHM CC(C)N1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000824301430 609608178 /nfs/dbraw/zinc/60/81/78/609608178.db2.gz YYOYFZROAAPGAG-UHFFFAOYSA-N -1 3 371.401 -0.324 20 0 FBADHM CC(C)N1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000824301430 609608177 /nfs/dbraw/zinc/60/81/77/609608177.db2.gz YYOYFZROAAPGAG-UHFFFAOYSA-N -1 3 371.401 -0.324 20 0 FBADHM CC(C)NC(=O)C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824301449 609191863 /nfs/dbraw/zinc/19/18/63/609191863.db2.gz ZYMRMZWUPCOBRJ-UHFFFAOYSA-N -1 3 360.378 -0.996 20 0 FBADHM CC(C)NC(=O)C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824301449 609191861 /nfs/dbraw/zinc/19/18/61/609191861.db2.gz ZYMRMZWUPCOBRJ-UHFFFAOYSA-N -1 3 360.378 -0.996 20 0 FBADHM CC(C)NS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824304560 609436474 /nfs/dbraw/zinc/43/64/74/609436474.db2.gz AYDILRVIWUHQIC-UHFFFAOYSA-N -1 3 352.424 -0.374 20 0 FBADHM CC(C)NS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824304560 609436473 /nfs/dbraw/zinc/43/64/73/609436473.db2.gz AYDILRVIWUHQIC-UHFFFAOYSA-N -1 3 352.424 -0.374 20 0 FBADHM CC(C)NS(=O)(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000824305104 609436656 /nfs/dbraw/zinc/43/66/56/609436656.db2.gz LBLJYNYYZOOLTP-UHFFFAOYSA-N -1 3 352.424 -0.374 20 0 FBADHM CC(C)NS(=O)(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000824305104 609436654 /nfs/dbraw/zinc/43/66/54/609436654.db2.gz LBLJYNYYZOOLTP-UHFFFAOYSA-N -1 3 352.424 -0.374 20 0 FBADHM CC(C)NC(=O)CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824305448 608326563 /nfs/dbraw/zinc/32/65/63/608326563.db2.gz QHAJZAQFBMVLHI-UHFFFAOYSA-N -1 3 356.383 -0.050 20 0 FBADHM CC(C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824305654 607601615 /nfs/dbraw/zinc/60/16/15/607601615.db2.gz RYPWROFUNWAYEK-UHFFFAOYSA-N -1 3 374.448 -0.527 20 0 FBADHM CC(C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824305654 607601613 /nfs/dbraw/zinc/60/16/13/607601613.db2.gz RYPWROFUNWAYEK-UHFFFAOYSA-N -1 3 374.448 -0.527 20 0 FBADHM CC(C)NS(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000824305660 609436577 /nfs/dbraw/zinc/43/65/77/609436577.db2.gz SGTZSPFBEFWJHZ-UHFFFAOYSA-N -1 3 352.424 -0.374 20 0 FBADHM CC(C)NS(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000824305660 609436576 /nfs/dbraw/zinc/43/65/76/609436576.db2.gz SGTZSPFBEFWJHZ-UHFFFAOYSA-N -1 3 352.424 -0.374 20 0 FBADHM CC(C)NS(=O)(=O)CCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824305762 609215061 /nfs/dbraw/zinc/21/50/61/609215061.db2.gz VAWGJFUICUCHCG-GFCCVEGCSA-N -1 3 368.419 -0.656 20 0 FBADHM CC(C)NS(=O)(=O)CCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824305762 609215059 /nfs/dbraw/zinc/21/50/59/609215059.db2.gz VAWGJFUICUCHCG-GFCCVEGCSA-N -1 3 368.419 -0.656 20 0 FBADHM CC(C)NS(=O)(=O)CCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824305763 609214630 /nfs/dbraw/zinc/21/46/30/609214630.db2.gz VAWGJFUICUCHCG-LBPRGKRZSA-N -1 3 368.419 -0.656 20 0 FBADHM CC(C)NS(=O)(=O)CCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824305763 609214629 /nfs/dbraw/zinc/21/46/29/609214629.db2.gz VAWGJFUICUCHCG-LBPRGKRZSA-N -1 3 368.419 -0.656 20 0 FBADHM CC(C)Oc1ccc(NC(=O)NCC(=O)NCCO)cc1-c1nn[n-]n1 ZINC000824329606 608007277 /nfs/dbraw/zinc/00/72/77/608007277.db2.gz SNHPMJWCUBLKAS-UHFFFAOYSA-N -1 3 363.378 -0.116 20 0 FBADHM CC(C)Oc1ccc(NC(=O)NCC(=O)NCCO)cc1-c1nnn[n-]1 ZINC000824329606 608007276 /nfs/dbraw/zinc/00/72/76/608007276.db2.gz SNHPMJWCUBLKAS-UHFFFAOYSA-N -1 3 363.378 -0.116 20 0 FBADHM CC(C)N(C)CC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000824330245 603939103 /nfs/dbraw/zinc/93/91/03/603939103.db2.gz WIWGNGCXCXQDLE-UHFFFAOYSA-N -1 3 362.452 -0.837 20 0 FBADHM CC(C)S(=O)(=O)CCN(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824337761 608035344 /nfs/dbraw/zinc/03/53/44/608035344.db2.gz FZAWQQNSIAQVDD-UHFFFAOYSA-N -1 3 356.456 -0.140 20 0 FBADHM CC(C)S(=O)(=O)CCN(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824337761 608035343 /nfs/dbraw/zinc/03/53/43/608035343.db2.gz FZAWQQNSIAQVDD-UHFFFAOYSA-N -1 3 356.456 -0.140 20 0 FBADHM CC(C)OCCN1CCC(NC(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000824398400 603504311 /nfs/dbraw/zinc/50/43/11/603504311.db2.gz DYUSCOGUNQLGHZ-UHFFFAOYSA-N -1 3 370.450 -0.186 20 0 FBADHM C[C@@H](CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[S@](C)=O ZINC000824400115 608187721 /nfs/dbraw/zinc/18/77/21/608187721.db2.gz AFKPYAUYAJLNSO-FORDYWAESA-N -1 3 364.431 -0.130 20 0 FBADHM C[C@@H](CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[S@](C)=O ZINC000824400115 608187719 /nfs/dbraw/zinc/18/77/19/608187719.db2.gz AFKPYAUYAJLNSO-FORDYWAESA-N -1 3 364.431 -0.130 20 0 FBADHM C[C@H](CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[S@](C)=O ZINC000824400116 608187963 /nfs/dbraw/zinc/18/79/63/608187963.db2.gz AFKPYAUYAJLNSO-JUTIIYIPSA-N -1 3 364.431 -0.130 20 0 FBADHM C[C@H](CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[S@](C)=O ZINC000824400116 608187962 /nfs/dbraw/zinc/18/79/62/608187962.db2.gz AFKPYAUYAJLNSO-JUTIIYIPSA-N -1 3 364.431 -0.130 20 0 FBADHM C[C@H](CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[S@@](C)=O ZINC000824400117 608187615 /nfs/dbraw/zinc/18/76/15/608187615.db2.gz AFKPYAUYAJLNSO-REFGNXHDSA-N -1 3 364.431 -0.130 20 0 FBADHM C[C@H](CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[S@@](C)=O ZINC000824400117 608187614 /nfs/dbraw/zinc/18/76/14/608187614.db2.gz AFKPYAUYAJLNSO-REFGNXHDSA-N -1 3 364.431 -0.130 20 0 FBADHM C[C@@H](CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[S@@](C)=O ZINC000824400118 608187824 /nfs/dbraw/zinc/18/78/24/608187824.db2.gz AFKPYAUYAJLNSO-UXMMLNGASA-N -1 3 364.431 -0.130 20 0 FBADHM C[C@@H](CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[S@@](C)=O ZINC000824400118 608187823 /nfs/dbraw/zinc/18/78/23/608187823.db2.gz AFKPYAUYAJLNSO-UXMMLNGASA-N -1 3 364.431 -0.130 20 0 FBADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824406343 607673669 /nfs/dbraw/zinc/67/36/69/607673669.db2.gz HWIXNEDZYCKUSC-SECBINFHSA-N -1 3 359.433 -0.032 20 0 FBADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824406343 607673668 /nfs/dbraw/zinc/67/36/68/607673668.db2.gz HWIXNEDZYCKUSC-SECBINFHSA-N -1 3 359.433 -0.032 20 0 FBADHM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824406344 607673786 /nfs/dbraw/zinc/67/37/86/607673786.db2.gz HWIXNEDZYCKUSC-VIFPVBQESA-N -1 3 359.433 -0.032 20 0 FBADHM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824406344 607673784 /nfs/dbraw/zinc/67/37/84/607673784.db2.gz HWIXNEDZYCKUSC-VIFPVBQESA-N -1 3 359.433 -0.032 20 0 FBADHM C[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824406510 607510833 /nfs/dbraw/zinc/51/08/33/607510833.db2.gz LTTDUVIZXXMSDJ-NXEZZACHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824406510 607510829 /nfs/dbraw/zinc/51/08/29/607510829.db2.gz LTTDUVIZXXMSDJ-NXEZZACHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824406511 607511007 /nfs/dbraw/zinc/51/10/07/607511007.db2.gz LTTDUVIZXXMSDJ-UWVGGRQHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824406511 607511005 /nfs/dbraw/zinc/51/10/05/607511005.db2.gz LTTDUVIZXXMSDJ-UWVGGRQHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)CCO ZINC000824406512 607511252 /nfs/dbraw/zinc/51/12/52/607511252.db2.gz LTTDUVIZXXMSDJ-VHSXEESVSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)CCO ZINC000824406512 607511250 /nfs/dbraw/zinc/51/12/50/607511250.db2.gz LTTDUVIZXXMSDJ-VHSXEESVSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824406513 607511108 /nfs/dbraw/zinc/51/11/08/607511108.db2.gz LTTDUVIZXXMSDJ-ZJUUUORDSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824406513 607511105 /nfs/dbraw/zinc/51/11/05/607511105.db2.gz LTTDUVIZXXMSDJ-ZJUUUORDSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824406576 607511199 /nfs/dbraw/zinc/51/11/99/607511199.db2.gz NHRKKCNSCKVWOT-NXEZZACHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824406576 607511197 /nfs/dbraw/zinc/51/11/97/607511197.db2.gz NHRKKCNSCKVWOT-NXEZZACHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824406577 607510788 /nfs/dbraw/zinc/51/07/88/607510788.db2.gz NHRKKCNSCKVWOT-UWVGGRQHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824406577 607510785 /nfs/dbraw/zinc/51/07/85/607510785.db2.gz NHRKKCNSCKVWOT-UWVGGRQHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)CCO ZINC000824406578 607510824 /nfs/dbraw/zinc/51/08/24/607510824.db2.gz NHRKKCNSCKVWOT-VHSXEESVSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)CCO ZINC000824406578 607510822 /nfs/dbraw/zinc/51/08/22/607510822.db2.gz NHRKKCNSCKVWOT-VHSXEESVSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824406579 607511127 /nfs/dbraw/zinc/51/11/27/607511127.db2.gz NHRKKCNSCKVWOT-ZJUUUORDSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824406579 607511125 /nfs/dbraw/zinc/51/11/25/607511125.db2.gz NHRKKCNSCKVWOT-ZJUUUORDSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](CCS(C)(=O)=O)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824406833 609249885 /nfs/dbraw/zinc/24/98/85/609249885.db2.gz RSZOYCULRMKZCE-BXKDBHETSA-N -1 3 353.404 -0.161 20 0 FBADHM C[C@H](CCS(C)(=O)=O)NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824406833 609249884 /nfs/dbraw/zinc/24/98/84/609249884.db2.gz RSZOYCULRMKZCE-BXKDBHETSA-N -1 3 353.404 -0.161 20 0 FBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824406836 609249855 /nfs/dbraw/zinc/24/98/55/609249855.db2.gz RSZOYCULRMKZCE-CABZTGNLSA-N -1 3 353.404 -0.161 20 0 FBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824406836 609249854 /nfs/dbraw/zinc/24/98/54/609249854.db2.gz RSZOYCULRMKZCE-CABZTGNLSA-N -1 3 353.404 -0.161 20 0 FBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824406840 609249822 /nfs/dbraw/zinc/24/98/22/609249822.db2.gz RSZOYCULRMKZCE-JOYOIKCWSA-N -1 3 353.404 -0.161 20 0 FBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824406840 609249821 /nfs/dbraw/zinc/24/98/21/609249821.db2.gz RSZOYCULRMKZCE-JOYOIKCWSA-N -1 3 353.404 -0.161 20 0 FBADHM C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824406844 609249882 /nfs/dbraw/zinc/24/98/82/609249882.db2.gz RSZOYCULRMKZCE-SKDRFNHKSA-N -1 3 353.404 -0.161 20 0 FBADHM C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824406844 609249881 /nfs/dbraw/zinc/24/98/81/609249881.db2.gz RSZOYCULRMKZCE-SKDRFNHKSA-N -1 3 353.404 -0.161 20 0 FBADHM C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC000824419643 607836523 /nfs/dbraw/zinc/83/65/23/607836523.db2.gz BBPKZFCGXPCGSD-SSDOTTSWSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC000824419643 607836522 /nfs/dbraw/zinc/83/65/22/607836522.db2.gz BBPKZFCGXPCGSD-SSDOTTSWSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC000824419644 607836529 /nfs/dbraw/zinc/83/65/29/607836529.db2.gz BBPKZFCGXPCGSD-ZETCQYMHSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC000824419644 607836528 /nfs/dbraw/zinc/83/65/28/607836528.db2.gz BBPKZFCGXPCGSD-ZETCQYMHSA-N -1 3 370.366 -0.506 20 0 FBADHM C[C@H](CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC000824420004 607822391 /nfs/dbraw/zinc/82/23/91/607822391.db2.gz DNMPLBQPXUKAKH-SECBINFHSA-N -1 3 368.423 -0.594 20 0 FBADHM C[C@H](CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC000824420004 607822390 /nfs/dbraw/zinc/82/23/90/607822390.db2.gz DNMPLBQPXUKAKH-SECBINFHSA-N -1 3 368.423 -0.594 20 0 FBADHM C[C@@H](CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC000824420005 607822388 /nfs/dbraw/zinc/82/23/88/607822388.db2.gz DNMPLBQPXUKAKH-VIFPVBQESA-N -1 3 368.423 -0.594 20 0 FBADHM C[C@@H](CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC000824420005 607822387 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20 0 FBADHM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824448179 607937337 /nfs/dbraw/zinc/93/73/37/607937337.db2.gz GOJGCCLNTJBYQL-ZETCQYMHSA-N -1 3 363.396 -0.283 20 0 FBADHM C[C@H](C[S@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000824448501 608144556 /nfs/dbraw/zinc/14/45/56/608144556.db2.gz IRLGLZUVXVTARQ-CTGLIMNLSA-N -1 3 354.367 -0.173 20 0 FBADHM C[C@H](C[S@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000824448501 608144555 /nfs/dbraw/zinc/14/45/55/608144555.db2.gz IRLGLZUVXVTARQ-CTGLIMNLSA-N -1 3 354.367 -0.173 20 0 FBADHM C[C@@H](C[S@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000824448502 608144477 /nfs/dbraw/zinc/14/44/77/608144477.db2.gz IRLGLZUVXVTARQ-FZTITHCBSA-N -1 3 354.367 -0.173 20 0 FBADHM C[C@@H](C[S@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000824448502 608144476 /nfs/dbraw/zinc/14/44/76/608144476.db2.gz IRLGLZUVXVTARQ-FZTITHCBSA-N -1 3 354.367 -0.173 20 0 FBADHM C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000824448503 608144488 /nfs/dbraw/zinc/14/44/88/608144488.db2.gz IRLGLZUVXVTARQ-JHNRLJBESA-N -1 3 354.367 -0.173 20 0 FBADHM C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000824448503 608144487 /nfs/dbraw/zinc/14/44/87/608144487.db2.gz IRLGLZUVXVTARQ-JHNRLJBESA-N -1 3 354.367 -0.173 20 0 FBADHM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000824448504 608144544 /nfs/dbraw/zinc/14/45/44/608144544.db2.gz IRLGLZUVXVTARQ-PIMCKEEVSA-N -1 3 354.367 -0.173 20 0 FBADHM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000824448504 608144543 /nfs/dbraw/zinc/14/45/43/608144543.db2.gz IRLGLZUVXVTARQ-PIMCKEEVSA-N -1 3 354.367 -0.173 20 0 FBADHM C[C@H](C[S@](C)=O)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000824448975 608130324 /nfs/dbraw/zinc/13/03/24/608130324.db2.gz LMMPCJUTYPTBOV-ITSYKEIMSA-N -1 3 352.424 -0.260 20 0 FBADHM C[C@H](C[S@](C)=O)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000824448975 608130323 /nfs/dbraw/zinc/13/03/23/608130323.db2.gz LMMPCJUTYPTBOV-ITSYKEIMSA-N -1 3 352.424 -0.260 20 0 FBADHM C[C@H](C[S@@](C)=O)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000824448976 608130120 /nfs/dbraw/zinc/13/01/20/608130120.db2.gz LMMPCJUTYPTBOV-MXUQEVIESA-N -1 3 352.424 -0.260 20 0 FBADHM C[C@H](C[S@@](C)=O)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000824448976 608130119 /nfs/dbraw/zinc/13/01/19/608130119.db2.gz LMMPCJUTYPTBOV-MXUQEVIESA-N -1 3 352.424 -0.260 20 0 FBADHM C[C@@H](C[S@@](C)=O)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000824448977 608130361 /nfs/dbraw/zinc/13/03/61/608130361.db2.gz LMMPCJUTYPTBOV-UZKFNYRNSA-N -1 3 352.424 -0.260 20 0 FBADHM C[C@@H](C[S@@](C)=O)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000824448977 608130360 /nfs/dbraw/zinc/13/03/60/608130360.db2.gz LMMPCJUTYPTBOV-UZKFNYRNSA-N -1 3 352.424 -0.260 20 0 FBADHM C[C@@H](C[S@](C)=O)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000824448978 608130300 /nfs/dbraw/zinc/13/03/00/608130300.db2.gz LMMPCJUTYPTBOV-VHMAXNEBSA-N -1 3 352.424 -0.260 20 0 FBADHM C[C@@H](C[S@](C)=O)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000824448978 608130299 /nfs/dbraw/zinc/13/02/99/608130299.db2.gz LMMPCJUTYPTBOV-VHMAXNEBSA-N -1 3 352.424 -0.260 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824449292 609227954 /nfs/dbraw/zinc/22/79/54/609227954.db2.gz NKICUJPRWLOVEZ-BXKDBHETSA-N -1 3 353.404 -0.208 20 0 FBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824449292 609227953 /nfs/dbraw/zinc/22/79/53/609227953.db2.gz NKICUJPRWLOVEZ-BXKDBHETSA-N -1 3 353.404 -0.208 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824449293 609227801 /nfs/dbraw/zinc/22/78/01/609227801.db2.gz NKICUJPRWLOVEZ-CABZTGNLSA-N -1 3 353.404 -0.208 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824449293 609227800 /nfs/dbraw/zinc/22/78/00/609227800.db2.gz NKICUJPRWLOVEZ-CABZTGNLSA-N -1 3 353.404 -0.208 20 0 FBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824449294 609227920 /nfs/dbraw/zinc/22/79/20/609227920.db2.gz 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608472200 /nfs/dbraw/zinc/47/22/00/608472200.db2.gz FMZJTUPGZHPLCQ-VIFPVBQESA-N -1 3 366.403 -0.825 20 0 FBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@H](C)CO ZINC000824635179 608203890 /nfs/dbraw/zinc/20/38/90/608203890.db2.gz ZJJCOEHHNUWKFX-NXEZZACHSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@H](C)CO ZINC000824635179 608203889 /nfs/dbraw/zinc/20/38/89/608203889.db2.gz ZJJCOEHHNUWKFX-NXEZZACHSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H](C)CO ZINC000824635181 608203996 /nfs/dbraw/zinc/20/39/96/608203996.db2.gz ZJJCOEHHNUWKFX-UWVGGRQHSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@@H](C)CO ZINC000824635181 608203995 /nfs/dbraw/zinc/20/39/95/608203995.db2.gz ZJJCOEHHNUWKFX-UWVGGRQHSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H](C)CO ZINC000824635182 608203774 /nfs/dbraw/zinc/20/37/74/608203774.db2.gz ZJJCOEHHNUWKFX-VHSXEESVSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@@H](C)CO ZINC000824635182 608203773 /nfs/dbraw/zinc/20/37/73/608203773.db2.gz ZJJCOEHHNUWKFX-VHSXEESVSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@H](CO)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824635185 608204236 /nfs/dbraw/zinc/20/42/36/608204236.db2.gz ZJJCOEHHNUWKFX-ZJUUUORDSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@H](CO)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824635185 608204234 /nfs/dbraw/zinc/20/42/34/608204234.db2.gz ZJJCOEHHNUWKFX-ZJUUUORDSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@H](C)CO ZINC000824640552 608204133 /nfs/dbraw/zinc/20/41/33/608204133.db2.gz KTKIOTBPVVOGPD-NXEZZACHSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@H](C)CO ZINC000824640552 608204132 /nfs/dbraw/zinc/20/41/32/608204132.db2.gz KTKIOTBPVVOGPD-NXEZZACHSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@@H](C)CO ZINC000824640553 608204230 /nfs/dbraw/zinc/20/42/30/608204230.db2.gz KTKIOTBPVVOGPD-UWVGGRQHSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@@H](C)CO ZINC000824640553 608204228 /nfs/dbraw/zinc/20/42/28/608204228.db2.gz KTKIOTBPVVOGPD-UWVGGRQHSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@@H](C)CO ZINC000824640554 608204222 /nfs/dbraw/zinc/20/42/22/608204222.db2.gz KTKIOTBPVVOGPD-VHSXEESVSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@@H](C)CO ZINC000824640554 608204220 /nfs/dbraw/zinc/20/42/20/608204220.db2.gz KTKIOTBPVVOGPD-VHSXEESVSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@H](CO)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824640555 608204072 /nfs/dbraw/zinc/20/40/72/608204072.db2.gz KTKIOTBPVVOGPD-ZJUUUORDSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@H](CO)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824640555 608204070 /nfs/dbraw/zinc/20/40/70/608204070.db2.gz KTKIOTBPVVOGPD-ZJUUUORDSA-N -1 3 368.419 -0.627 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)CO ZINC000824641016 609392223 /nfs/dbraw/zinc/39/22/23/609392223.db2.gz RBTZNQIPKJMTEU-SECBINFHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)CO ZINC000824641016 609392221 /nfs/dbraw/zinc/39/22/21/609392221.db2.gz RBTZNQIPKJMTEU-SECBINFHSA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)CO ZINC000824641017 609392582 /nfs/dbraw/zinc/39/25/82/609392582.db2.gz RBTZNQIPKJMTEU-VIFPVBQESA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)CO ZINC000824641017 609392581 /nfs/dbraw/zinc/39/25/81/609392581.db2.gz RBTZNQIPKJMTEU-VIFPVBQESA-N -1 3 368.419 -0.579 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCOC1 ZINC000824641158 607774435 /nfs/dbraw/zinc/77/44/35/607774435.db2.gz SGMPHIIDIRRTOR-GXSJLCMTSA-N -1 3 366.403 -0.561 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCOC1 ZINC000824641158 607774434 /nfs/dbraw/zinc/77/44/34/607774434.db2.gz SGMPHIIDIRRTOR-GXSJLCMTSA-N -1 3 366.403 -0.561 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCOC1 ZINC000824641159 607774270 /nfs/dbraw/zinc/77/42/70/607774270.db2.gz SGMPHIIDIRRTOR-KOLCDFICSA-N -1 3 366.403 -0.561 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCOC1 ZINC000824641159 607774269 /nfs/dbraw/zinc/77/42/69/607774269.db2.gz SGMPHIIDIRRTOR-KOLCDFICSA-N -1 3 366.403 -0.561 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCOC1 ZINC000824641160 607774296 /nfs/dbraw/zinc/77/42/96/607774296.db2.gz SGMPHIIDIRRTOR-MWLCHTKSSA-N -1 3 366.403 -0.561 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCOC1 ZINC000824641160 607774295 /nfs/dbraw/zinc/77/42/95/607774295.db2.gz SGMPHIIDIRRTOR-MWLCHTKSSA-N -1 3 366.403 -0.561 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCOC1 ZINC000824641161 607774190 /nfs/dbraw/zinc/77/41/90/607774190.db2.gz SGMPHIIDIRRTOR-ONGXEEELSA-N -1 3 366.403 -0.561 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCOC1 ZINC000824641161 607774189 /nfs/dbraw/zinc/77/41/89/607774189.db2.gz SGMPHIIDIRRTOR-ONGXEEELSA-N -1 3 366.403 -0.561 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(CO)CC1 ZINC000824641549 608470308 /nfs/dbraw/zinc/47/03/08/608470308.db2.gz WSXGMDIOUBTWAO-SECBINFHSA-N -1 3 366.403 -0.825 20 0 FBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(CO)CC1 ZINC000824641549 608470307 /nfs/dbraw/zinc/47/03/07/608470307.db2.gz WSXGMDIOUBTWAO-SECBINFHSA-N -1 3 366.403 -0.825 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(CO)CC1 ZINC000824641550 608470357 /nfs/dbraw/zinc/47/03/57/608470357.db2.gz WSXGMDIOUBTWAO-VIFPVBQESA-N -1 3 366.403 -0.825 20 0 FBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(CO)CC1 ZINC000824641550 608470356 /nfs/dbraw/zinc/47/03/56/608470356.db2.gz WSXGMDIOUBTWAO-VIFPVBQESA-N -1 3 366.403 -0.825 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824647629 607974710 /nfs/dbraw/zinc/97/47/10/607974710.db2.gz ACVRDZZUJZJRGS-LURJTMIESA-N -1 3 374.404 -0.652 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824647629 607974709 /nfs/dbraw/zinc/97/47/09/607974709.db2.gz ACVRDZZUJZJRGS-LURJTMIESA-N -1 3 374.404 -0.652 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824647630 607974805 /nfs/dbraw/zinc/97/48/05/607974805.db2.gz ACVRDZZUJZJRGS-ZCFIWIBFSA-N -1 3 374.404 -0.652 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824647630 607974804 /nfs/dbraw/zinc/97/48/04/607974804.db2.gz ACVRDZZUJZJRGS-ZCFIWIBFSA-N -1 3 374.404 -0.652 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000824647631 607975453 /nfs/dbraw/zinc/97/54/53/607975453.db2.gz AENNRUGMPNVMDB-SECBINFHSA-N -1 3 355.376 -0.274 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000824647631 607975452 /nfs/dbraw/zinc/97/54/52/607975452.db2.gz AENNRUGMPNVMDB-SECBINFHSA-N -1 3 355.376 -0.274 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000824647632 607975528 /nfs/dbraw/zinc/97/55/28/607975528.db2.gz AENNRUGMPNVMDB-VIFPVBQESA-N -1 3 355.376 -0.274 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000824647632 607975527 /nfs/dbraw/zinc/97/55/27/607975527.db2.gz AENNRUGMPNVMDB-VIFPVBQESA-N -1 3 355.376 -0.274 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824647995 607974707 /nfs/dbraw/zinc/97/47/07/607974707.db2.gz CRDFUPVATQRFCK-MRVPVSSYSA-N -1 3 353.360 -0.470 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824647995 607974706 /nfs/dbraw/zinc/97/47/06/607974706.db2.gz CRDFUPVATQRFCK-MRVPVSSYSA-N -1 3 353.360 -0.470 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824647997 607974605 /nfs/dbraw/zinc/97/46/05/607974605.db2.gz CRDFUPVATQRFCK-QMMMGPOBSA-N -1 3 353.360 -0.470 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824647997 607974604 /nfs/dbraw/zinc/97/46/04/607974604.db2.gz CRDFUPVATQRFCK-QMMMGPOBSA-N -1 3 353.360 -0.470 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824648376 607975602 /nfs/dbraw/zinc/97/56/02/607975602.db2.gz FDQLOJSSGJOTGJ-SECBINFHSA-N -1 3 355.376 -0.274 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824648377 607975585 /nfs/dbraw/zinc/97/55/85/607975585.db2.gz FDQLOJSSGJOTGJ-VIFPVBQESA-N -1 3 355.376 -0.274 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824649004 607974776 /nfs/dbraw/zinc/97/47/76/607974776.db2.gz KEEOMCSHHGPKNK-SECBINFHSA-N -1 3 355.376 -0.274 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000824649004 607974775 /nfs/dbraw/zinc/97/47/75/607974775.db2.gz KEEOMCSHHGPKNK-SECBINFHSA-N -1 3 355.376 -0.274 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824649006 607974589 /nfs/dbraw/zinc/97/45/89/607974589.db2.gz KEEOMCSHHGPKNK-VIFPVBQESA-N -1 3 355.376 -0.274 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000824649006 607974588 /nfs/dbraw/zinc/97/45/88/607974588.db2.gz KEEOMCSHHGPKNK-VIFPVBQESA-N -1 3 355.376 -0.274 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824650070 607975543 /nfs/dbraw/zinc/97/55/43/607975543.db2.gz PMQULFOAWDZZEM-MRVPVSSYSA-N -1 3 368.375 -0.714 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824650070 607975542 /nfs/dbraw/zinc/97/55/42/607975542.db2.gz PMQULFOAWDZZEM-MRVPVSSYSA-N -1 3 368.375 -0.714 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824650076 607975423 /nfs/dbraw/zinc/97/54/23/607975423.db2.gz PMQULFOAWDZZEM-QMMMGPOBSA-N -1 3 368.375 -0.714 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824650076 607975422 /nfs/dbraw/zinc/97/54/22/607975422.db2.gz PMQULFOAWDZZEM-QMMMGPOBSA-N -1 3 368.375 -0.714 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824650273 607413696 /nfs/dbraw/zinc/41/36/96/607413696.db2.gz QKKSCZVDVKGIKI-SECBINFHSA-N -1 3 350.404 -0.090 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824650273 607413695 /nfs/dbraw/zinc/41/36/95/607413695.db2.gz QKKSCZVDVKGIKI-SECBINFHSA-N -1 3 350.404 -0.090 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824650274 607413842 /nfs/dbraw/zinc/41/38/42/607413842.db2.gz QKKSCZVDVKGIKI-VIFPVBQESA-N -1 3 350.404 -0.090 20 0 FBADHM C[C@H](NS(C)(=O)=O)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824650274 607413840 /nfs/dbraw/zinc/41/38/40/607413840.db2.gz QKKSCZVDVKGIKI-VIFPVBQESA-N -1 3 350.404 -0.090 20 0 FBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824650563 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ZINC000824707355 607632101 /nfs/dbraw/zinc/63/21/01/607632101.db2.gz QXFSQFMEIXFCAF-LBPRGKRZSA-N -1 3 366.447 -0.305 20 0 FBADHM C[C@H](O)CN1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824707355 607632100 /nfs/dbraw/zinc/63/21/00/607632100.db2.gz QXFSQFMEIXFCAF-LBPRGKRZSA-N -1 3 366.447 -0.305 20 0 FBADHM C[C@@H](O)c1cn(CC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000824707542 609240681 /nfs/dbraw/zinc/24/06/81/609240681.db2.gz SMCIFQRCKVVXEA-SECBINFHSA-N -1 3 357.330 -0.062 20 0 FBADHM C[C@@H](O)c1cn(CC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000824707542 609240679 /nfs/dbraw/zinc/24/06/79/609240679.db2.gz SMCIFQRCKVVXEA-SECBINFHSA-N -1 3 357.330 -0.062 20 0 FBADHM C[C@H](O)c1cn(CC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000824707543 609240461 /nfs/dbraw/zinc/24/04/61/609240461.db2.gz SMCIFQRCKVVXEA-VIFPVBQESA-N -1 3 357.330 -0.062 20 0 FBADHM C[C@H](O)c1cn(CC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000824707543 609240460 /nfs/dbraw/zinc/24/04/60/609240460.db2.gz 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607648995 /nfs/dbraw/zinc/64/89/95/607648995.db2.gz VPFGIOYYKXWUON-NWDGAFQWSA-N -1 3 366.447 -0.058 20 0 FBADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@@H]1C ZINC000824707757 607648993 /nfs/dbraw/zinc/64/89/93/607648993.db2.gz VPFGIOYYKXWUON-NWDGAFQWSA-N -1 3 366.447 -0.058 20 0 FBADHM C[C@H](O)CN1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@@H]1C ZINC000824707758 607649025 /nfs/dbraw/zinc/64/90/25/607649025.db2.gz VPFGIOYYKXWUON-RYUDHWBXSA-N -1 3 366.447 -0.058 20 0 FBADHM C[C@H](O)CN1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@@H]1C ZINC000824707758 607649024 /nfs/dbraw/zinc/64/90/24/607649024.db2.gz VPFGIOYYKXWUON-RYUDHWBXSA-N -1 3 366.447 -0.058 20 0 FBADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC000824707759 607648764 /nfs/dbraw/zinc/64/87/64/607648764.db2.gz VPFGIOYYKXWUON-VXGBXAGGSA-N -1 3 366.447 -0.058 20 0 FBADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC000824707759 607648762 /nfs/dbraw/zinc/64/87/62/607648762.db2.gz VPFGIOYYKXWUON-VXGBXAGGSA-N 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/nfs/dbraw/zinc/10/46/15/661104615.db2.gz HETFFRDKTBAOQN-GFCCVEGCSA-N -1 3 353.404 -0.207 20 0 FBADHM CCN(CCS(C)(=O)=O)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825424441 661104612 /nfs/dbraw/zinc/10/46/12/661104612.db2.gz HETFFRDKTBAOQN-GFCCVEGCSA-N -1 3 353.404 -0.207 20 0 FBADHM CCN(CCS(C)(=O)=O)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825424442 661104699 /nfs/dbraw/zinc/10/46/99/661104699.db2.gz HETFFRDKTBAOQN-LBPRGKRZSA-N -1 3 353.404 -0.207 20 0 FBADHM CCN(CCS(C)(=O)=O)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825424442 661104696 /nfs/dbraw/zinc/10/46/96/661104696.db2.gz HETFFRDKTBAOQN-LBPRGKRZSA-N -1 3 353.404 -0.207 20 0 FBADHM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825424642 607811771 /nfs/dbraw/zinc/81/17/71/607811771.db2.gz MGFIEKNTEUJEGT-UHFFFAOYSA-N -1 3 359.433 -0.078 20 0 FBADHM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825424642 607811770 /nfs/dbraw/zinc/81/17/70/607811770.db2.gz MGFIEKNTEUJEGT-UHFFFAOYSA-N -1 3 359.433 -0.078 20 0 FBADHM CCN(CCS(C)(=O)=O)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825424698 607801388 /nfs/dbraw/zinc/80/13/88/607801388.db2.gz NWZMZOVHQANCDA-CYBMUJFWSA-N -1 3 369.447 -0.027 20 0 FBADHM CCN(CCS(C)(=O)=O)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825424699 607801224 /nfs/dbraw/zinc/80/12/24/607801224.db2.gz NWZMZOVHQANCDA-ZDUSSCGKSA-N -1 3 369.447 -0.027 20 0 FBADHM CCN(CCS(C)(=O)=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000825424949 607800940 /nfs/dbraw/zinc/80/09/40/607800940.db2.gz UNYMTPKZTVNESH-UHFFFAOYSA-N -1 3 366.447 -0.151 20 0 FBADHM CCN(CCS(C)(=O)=O)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825424949 607800939 /nfs/dbraw/zinc/80/09/39/607800939.db2.gz UNYMTPKZTVNESH-UHFFFAOYSA-N -1 3 366.447 -0.151 20 0 FBADHM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825425035 607811986 /nfs/dbraw/zinc/81/19/86/607811986.db2.gz YKNUVKWXAJTRDH-UHFFFAOYSA-N -1 3 359.433 -0.078 20 0 FBADHM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825425035 607811985 /nfs/dbraw/zinc/81/19/85/607811985.db2.gz YKNUVKWXAJTRDH-UHFFFAOYSA-N -1 3 359.433 -0.078 20 0 FBADHM CCN(CCO)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825425062 607881897 /nfs/dbraw/zinc/88/18/97/607881897.db2.gz ZMGFNLNTMCOSGO-JTQLQIEISA-N -1 3 368.419 -0.626 20 0 FBADHM CCN(CCO)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825425062 607881896 /nfs/dbraw/zinc/88/18/96/607881896.db2.gz ZMGFNLNTMCOSGO-JTQLQIEISA-N -1 3 368.419 -0.626 20 0 FBADHM CCN(CCO)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825425063 607882078 /nfs/dbraw/zinc/88/20/78/607882078.db2.gz ZMGFNLNTMCOSGO-SNVBAGLBSA-N -1 3 368.419 -0.626 20 0 FBADHM CCN(CCO)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825425063 607882077 /nfs/dbraw/zinc/88/20/77/607882077.db2.gz ZMGFNLNTMCOSGO-SNVBAGLBSA-N -1 3 368.419 -0.626 20 0 FBADHM CCN(Cc1cn(C)nn1)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825439623 609435152 /nfs/dbraw/zinc/43/51/52/609435152.db2.gz IAIYZCRYQFZARX-UHFFFAOYSA-N -1 3 369.389 -0.226 20 0 FBADHM CCN(Cc1cn(C)nn1)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825439623 609435150 /nfs/dbraw/zinc/43/51/50/609435150.db2.gz IAIYZCRYQFZARX-UHFFFAOYSA-N -1 3 369.389 -0.226 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000825464323 608363113 /nfs/dbraw/zinc/36/31/13/608363113.db2.gz BKGVYGVXYAUUPD-UHFFFAOYSA-N -1 3 373.373 -0.592 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000825464323 608363111 /nfs/dbraw/zinc/36/31/11/608363111.db2.gz BKGVYGVXYAUUPD-UHFFFAOYSA-N -1 3 373.373 -0.592 20 0 FBADHM CCNC(=O)C(C)(C)CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825464378 607513005 /nfs/dbraw/zinc/51/30/05/607513005.db2.gz CIFBGMWIDYEGGT-UHFFFAOYSA-N -1 3 373.417 -0.125 20 0 FBADHM CCNC(=O)C(C)(C)CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825464378 607513004 /nfs/dbraw/zinc/51/30/04/607513004.db2.gz CIFBGMWIDYEGGT-UHFFFAOYSA-N -1 3 373.417 -0.125 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000825465093 608363226 /nfs/dbraw/zinc/36/32/26/608363226.db2.gz IBBFIVLKKYKHNU-UHFFFAOYSA-N -1 3 361.337 -0.461 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000825465093 608363224 /nfs/dbraw/zinc/36/32/24/608363224.db2.gz IBBFIVLKKYKHNU-UHFFFAOYSA-N -1 3 361.337 -0.461 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000825465418 608363149 /nfs/dbraw/zinc/36/31/49/608363149.db2.gz LAIIKQCHCKRGTA-UHFFFAOYSA-N -1 3 357.374 -0.292 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000825465418 608363146 /nfs/dbraw/zinc/36/31/46/608363146.db2.gz LAIIKQCHCKRGTA-UHFFFAOYSA-N -1 3 357.374 -0.292 20 0 FBADHM CCN1CCOC[C@@H]1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825465438 608454830 /nfs/dbraw/zinc/45/48/30/608454830.db2.gz LOIYDHQKBDWTGJ-CHWSQXEVSA-N -1 3 360.374 -0.343 20 0 FBADHM CCN1CCOC[C@@H]1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825465438 608454827 /nfs/dbraw/zinc/45/48/27/608454827.db2.gz LOIYDHQKBDWTGJ-CHWSQXEVSA-N -1 3 360.374 -0.343 20 0 FBADHM CCN1CCOC[C@@H]1C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825465439 608454875 /nfs/dbraw/zinc/45/48/75/608454875.db2.gz LOIYDHQKBDWTGJ-OLZOCXBDSA-N -1 3 360.374 -0.343 20 0 FBADHM CCN1CCOC[C@@H]1C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825465439 608454874 /nfs/dbraw/zinc/45/48/74/608454874.db2.gz LOIYDHQKBDWTGJ-OLZOCXBDSA-N -1 3 360.374 -0.343 20 0 FBADHM CCN1CCOC[C@H]1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825465440 608455025 /nfs/dbraw/zinc/45/50/25/608455025.db2.gz LOIYDHQKBDWTGJ-QWHCGFSZSA-N -1 3 360.374 -0.343 20 0 FBADHM CCN1CCOC[C@H]1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825465440 608455024 /nfs/dbraw/zinc/45/50/24/608455024.db2.gz LOIYDHQKBDWTGJ-QWHCGFSZSA-N -1 3 360.374 -0.343 20 0 FBADHM CCN1CCOC[C@H]1C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825465441 608455034 /nfs/dbraw/zinc/45/50/34/608455034.db2.gz LOIYDHQKBDWTGJ-STQMWFEESA-N -1 3 360.374 -0.343 20 0 FBADHM CCN1CCOC[C@H]1C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825465441 608455033 /nfs/dbraw/zinc/45/50/33/608455033.db2.gz LOIYDHQKBDWTGJ-STQMWFEESA-N -1 3 360.374 -0.343 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825465490 608362978 /nfs/dbraw/zinc/36/29/78/608362978.db2.gz MBODLRFTXYHOGP-UHFFFAOYSA-N -1 3 361.337 -0.461 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000825465490 608362976 /nfs/dbraw/zinc/36/29/76/608362976.db2.gz MBODLRFTXYHOGP-UHFFFAOYSA-N -1 3 361.337 -0.461 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000825465626 608363091 /nfs/dbraw/zinc/36/30/91/608363091.db2.gz OOHOOPQRJNKAKK-UHFFFAOYSA-N -1 3 357.374 -0.292 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000825465626 608363090 /nfs/dbraw/zinc/36/30/90/608363090.db2.gz OOHOOPQRJNKAKK-UHFFFAOYSA-N -1 3 357.374 -0.292 20 0 FBADHM CCN1CCOC[C@H]1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825465718 608568930 /nfs/dbraw/zinc/56/89/30/608568930.db2.gz QFESGXIZTWXULV-AWEZNQCLSA-N -1 3 372.433 -0.369 20 0 FBADHM CCN1CCOC[C@H]1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825465718 608568928 /nfs/dbraw/zinc/56/89/28/608568928.db2.gz QFESGXIZTWXULV-AWEZNQCLSA-N -1 3 372.433 -0.369 20 0 FBADHM CCN1CCOC[C@@H]1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825465723 608568575 /nfs/dbraw/zinc/56/85/75/608568575.db2.gz QFESGXIZTWXULV-CQSZACIVSA-N -1 3 372.433 -0.369 20 0 FBADHM CCN1CCOC[C@@H]1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825465723 608568574 /nfs/dbraw/zinc/56/85/74/608568574.db2.gz QFESGXIZTWXULV-CQSZACIVSA-N -1 3 372.433 -0.369 20 0 FBADHM CCNC(=O)CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825465767 609220930 /nfs/dbraw/zinc/22/09/30/609220930.db2.gz QNTVGALBGAHHKG-UHFFFAOYSA-N -1 3 358.406 -0.127 20 0 FBADHM CCNC(=O)CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825465767 609220927 /nfs/dbraw/zinc/22/09/27/609220927.db2.gz QNTVGALBGAHHKG-UHFFFAOYSA-N -1 3 358.406 -0.127 20 0 FBADHM CCN1CCO[C@H](CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000825465824 607616882 /nfs/dbraw/zinc/61/68/82/607616882.db2.gz ROXRJIRVDQNHNT-LLVKDONJSA-N -1 3 352.420 -0.134 20 0 FBADHM CCN1CCO[C@H](CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000825465824 607616881 /nfs/dbraw/zinc/61/68/81/607616881.db2.gz ROXRJIRVDQNHNT-LLVKDONJSA-N -1 3 352.420 -0.134 20 0 FBADHM CCN1CCO[C@@H](CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000825465825 607616491 /nfs/dbraw/zinc/61/64/91/607616491.db2.gz ROXRJIRVDQNHNT-NSHDSACASA-N -1 3 352.420 -0.134 20 0 FBADHM CCN1CCO[C@@H](CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000825465825 607616490 /nfs/dbraw/zinc/61/64/90/607616490.db2.gz ROXRJIRVDQNHNT-NSHDSACASA-N -1 3 352.420 -0.134 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000825465835 608363030 /nfs/dbraw/zinc/36/30/30/608363030.db2.gz RWJINBRQKOEIDW-UHFFFAOYSA-N -1 3 357.374 -0.292 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000825465835 608363028 /nfs/dbraw/zinc/36/30/28/608363028.db2.gz RWJINBRQKOEIDW-UHFFFAOYSA-N -1 3 357.374 -0.292 20 0 FBADHM CCNC(=O)[C@@H](C)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825465909 608327295 /nfs/dbraw/zinc/32/72/95/608327295.db2.gz SAQRRDQKTZUKKK-MRVPVSSYSA-N -1 3 356.383 -0.050 20 0 FBADHM CCNC(=O)[C@H](C)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825465911 608327249 /nfs/dbraw/zinc/32/72/49/608327249.db2.gz SAQRRDQKTZUKKK-QMMMGPOBSA-N -1 3 356.383 -0.050 20 0 FBADHM CCN1CCOC[C@H]1C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000825465917 608454989 /nfs/dbraw/zinc/45/49/89/608454989.db2.gz SFALXMZMFAKVQN-AWEZNQCLSA-N -1 3 374.401 -0.253 20 0 FBADHM CCN1CCOC[C@H]1C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825465917 608454988 /nfs/dbraw/zinc/45/49/88/608454988.db2.gz SFALXMZMFAKVQN-AWEZNQCLSA-N -1 3 374.401 -0.253 20 0 FBADHM CCN1CCOC[C@@H]1C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000825465919 608454724 /nfs/dbraw/zinc/45/47/24/608454724.db2.gz SFALXMZMFAKVQN-CQSZACIVSA-N -1 3 374.401 -0.253 20 0 FBADHM CCN1CCOC[C@@H]1C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825465919 608454723 /nfs/dbraw/zinc/45/47/23/608454723.db2.gz SFALXMZMFAKVQN-CQSZACIVSA-N -1 3 374.401 -0.253 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000825466312 608362845 /nfs/dbraw/zinc/36/28/45/608362845.db2.gz ZADBQVVIBWGTHN-UHFFFAOYSA-N -1 3 361.337 -0.461 20 0 FBADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000825466312 608362844 /nfs/dbraw/zinc/36/28/44/608362844.db2.gz ZADBQVVIBWGTHN-UHFFFAOYSA-N -1 3 361.337 -0.461 20 0 FBADHM CCN1CCOC[C@H]1C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825466339 608455058 /nfs/dbraw/zinc/45/50/58/608455058.db2.gz ZPUHBTPMWMKVOH-AWEZNQCLSA-N -1 3 374.401 -0.253 20 0 FBADHM CCN1CCOC[C@H]1C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825466339 608455057 /nfs/dbraw/zinc/45/50/57/608455057.db2.gz ZPUHBTPMWMKVOH-AWEZNQCLSA-N -1 3 374.401 -0.253 20 0 FBADHM CCN1CCOC[C@@H]1C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825466340 608455055 /nfs/dbraw/zinc/45/50/55/608455055.db2.gz ZPUHBTPMWMKVOH-CQSZACIVSA-N -1 3 374.401 -0.253 20 0 FBADHM CCN1CCOC[C@@H]1C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825466340 608455054 /nfs/dbraw/zinc/45/50/54/608455054.db2.gz ZPUHBTPMWMKVOH-CQSZACIVSA-N -1 3 374.401 -0.253 20 0 FBADHM CCN1CCO[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825466364 608212525 /nfs/dbraw/zinc/21/25/25/608212525.db2.gz ZZXVLYVGLDYIQS-LLVKDONJSA-N -1 3 363.426 -0.716 20 0 FBADHM CCN1CCO[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825466364 608212524 /nfs/dbraw/zinc/21/25/24/608212524.db2.gz ZZXVLYVGLDYIQS-LLVKDONJSA-N -1 3 363.426 -0.716 20 0 FBADHM CCN1CCO[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825466366 608212607 /nfs/dbraw/zinc/21/26/07/608212607.db2.gz ZZXVLYVGLDYIQS-NSHDSACASA-N -1 3 363.426 -0.716 20 0 FBADHM CCN1CCO[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825466366 608212604 /nfs/dbraw/zinc/21/26/04/608212604.db2.gz ZZXVLYVGLDYIQS-NSHDSACASA-N -1 3 363.426 -0.716 20 0 FBADHM CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000825470377 607671673 /nfs/dbraw/zinc/67/16/73/607671673.db2.gz CPWXGBILTBZRDK-JTQLQIEISA-N -1 3 365.419 -0.051 20 0 FBADHM CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000825470377 607671672 /nfs/dbraw/zinc/67/16/72/607671672.db2.gz CPWXGBILTBZRDK-JTQLQIEISA-N -1 3 365.419 -0.051 20 0 FBADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000825470378 607671912 /nfs/dbraw/zinc/67/19/12/607671912.db2.gz CPWXGBILTBZRDK-SNVBAGLBSA-N -1 3 365.419 -0.051 20 0 FBADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000825470378 607671911 /nfs/dbraw/zinc/67/19/11/607671911.db2.gz CPWXGBILTBZRDK-SNVBAGLBSA-N -1 3 365.419 -0.051 20 0 FBADHM CCNC(=O)CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825470908 609191766 /nfs/dbraw/zinc/19/17/66/609191766.db2.gz JCYWRUQDAZXGPB-HNNXBMFYSA-N -1 3 373.417 -0.820 20 0 FBADHM CCNC(=O)CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825470908 609191764 /nfs/dbraw/zinc/19/17/64/609191764.db2.gz JCYWRUQDAZXGPB-HNNXBMFYSA-N -1 3 373.417 -0.820 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607621322 /nfs/dbraw/zinc/62/13/22/607621322.db2.gz FLNXAETZLJWZDE-VIFPVBQESA-N -1 3 354.367 -0.095 20 0 FBADHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1=O ZINC000826016820 607746776 /nfs/dbraw/zinc/74/67/76/607746776.db2.gz GOJBXUKYRBOGKD-ANRSDYALSA-N -1 3 358.362 -0.355 20 0 FBADHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1=O ZINC000826016820 607746775 /nfs/dbraw/zinc/74/67/75/607746775.db2.gz GOJBXUKYRBOGKD-ANRSDYALSA-N -1 3 358.362 -0.355 20 0 FBADHM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1=O ZINC000826016823 607746565 /nfs/dbraw/zinc/74/65/65/607746565.db2.gz GOJBXUKYRBOGKD-AYVTZFPOSA-N -1 3 358.362 -0.355 20 0 FBADHM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1=O ZINC000826016823 607746564 /nfs/dbraw/zinc/74/65/64/607746564.db2.gz GOJBXUKYRBOGKD-AYVTZFPOSA-N -1 3 358.362 -0.355 20 0 FBADHM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1=O ZINC000826016826 607746828 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371.810 -0.321 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826082886 607561296 /nfs/dbraw/zinc/56/12/96/607561296.db2.gz DBOFYGSXVQHQGB-MRVPVSSYSA-N -1 3 371.810 -0.321 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826082887 607561472 /nfs/dbraw/zinc/56/14/72/607561472.db2.gz DBOFYGSXVQHQGB-QMMMGPOBSA-N -1 3 371.810 -0.321 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826082887 607561470 /nfs/dbraw/zinc/56/14/70/607561470.db2.gz DBOFYGSXVQHQGB-QMMMGPOBSA-N -1 3 371.810 -0.321 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000826083033 607553132 /nfs/dbraw/zinc/55/31/32/607553132.db2.gz GGOFJUMMPDRCQK-JTQLQIEISA-N -1 3 366.403 -0.604 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000826083033 607553131 /nfs/dbraw/zinc/55/31/31/607553131.db2.gz GGOFJUMMPDRCQK-JTQLQIEISA-N -1 3 366.403 -0.604 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000826083034 607553127 /nfs/dbraw/zinc/55/31/27/607553127.db2.gz GGOFJUMMPDRCQK-SNVBAGLBSA-N -1 3 366.403 -0.604 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000826083034 607553125 /nfs/dbraw/zinc/55/31/25/607553125.db2.gz GGOFJUMMPDRCQK-SNVBAGLBSA-N -1 3 366.403 -0.604 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083083 607553310 /nfs/dbraw/zinc/55/33/10/607553310.db2.gz ICZZBBGWRFMBJJ-GFCCVEGCSA-N -1 3 366.403 -0.604 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083083 607553309 /nfs/dbraw/zinc/55/33/09/607553309.db2.gz ICZZBBGWRFMBJJ-GFCCVEGCSA-N -1 3 366.403 -0.604 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083084 607552965 /nfs/dbraw/zinc/55/29/65/607552965.db2.gz ICZZBBGWRFMBJJ-LBPRGKRZSA-N -1 3 366.403 -0.604 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083084 607552963 /nfs/dbraw/zinc/55/29/63/607552963.db2.gz ICZZBBGWRFMBJJ-LBPRGKRZSA-N -1 3 366.403 -0.604 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000826083330 607552987 /nfs/dbraw/zinc/55/29/87/607552987.db2.gz ISXXTMQNDDXWPV-MRVPVSSYSA-N -1 3 372.357 -0.091 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000826083330 607552985 /nfs/dbraw/zinc/55/29/85/607552985.db2.gz ISXXTMQNDDXWPV-MRVPVSSYSA-N -1 3 372.357 -0.091 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000826083331 607552992 /nfs/dbraw/zinc/55/29/92/607552992.db2.gz ISXXTMQNDDXWPV-QMMMGPOBSA-N -1 3 372.357 -0.091 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000826083331 607552991 /nfs/dbraw/zinc/55/29/91/607552991.db2.gz ISXXTMQNDDXWPV-QMMMGPOBSA-N -1 3 372.357 -0.091 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000826083363 607556328 /nfs/dbraw/zinc/55/63/28/607556328.db2.gz JSXLWFYCFRNUNR-GFCCVEGCSA-N -1 3 352.420 -0.001 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000826083364 607556075 /nfs/dbraw/zinc/55/60/75/607556075.db2.gz JSXLWFYCFRNUNR-LBPRGKRZSA-N -1 3 352.420 -0.001 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083400 607553393 /nfs/dbraw/zinc/55/33/93/607553393.db2.gz KRVMAGJQEKZJIF-GFCCVEGCSA-N -1 3 350.404 -0.441 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083400 607553391 /nfs/dbraw/zinc/55/33/91/607553391.db2.gz KRVMAGJQEKZJIF-GFCCVEGCSA-N -1 3 350.404 -0.441 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083401 607553191 /nfs/dbraw/zinc/55/31/91/607553191.db2.gz KRVMAGJQEKZJIF-LBPRGKRZSA-N -1 3 350.404 -0.441 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083401 607553189 /nfs/dbraw/zinc/55/31/89/607553189.db2.gz KRVMAGJQEKZJIF-LBPRGKRZSA-N -1 3 350.404 -0.441 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000826083530 608373839 /nfs/dbraw/zinc/37/38/39/608373839.db2.gz LZKBSJQJEKNMHO-GFCCVEGCSA-N -1 3 352.420 -0.001 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000826083531 608373362 /nfs/dbraw/zinc/37/33/62/608373362.db2.gz LZKBSJQJEKNMHO-LBPRGKRZSA-N -1 3 352.420 -0.001 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000826083554 607553290 /nfs/dbraw/zinc/55/32/90/607553290.db2.gz MTPZAOJOLWCBLC-LLVKDONJSA-N -1 3 350.404 -0.061 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000826083554 607553288 /nfs/dbraw/zinc/55/32/88/607553288.db2.gz MTPZAOJOLWCBLC-LLVKDONJSA-N -1 3 350.404 -0.061 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000826083555 607552928 /nfs/dbraw/zinc/55/29/28/607552928.db2.gz MTPZAOJOLWCBLC-NSHDSACASA-N -1 3 350.404 -0.061 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000826083555 607552927 /nfs/dbraw/zinc/55/29/27/607552927.db2.gz MTPZAOJOLWCBLC-NSHDSACASA-N -1 3 350.404 -0.061 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC000826083737 607555964 /nfs/dbraw/zinc/55/59/64/607555964.db2.gz PFGZTAQCMQSMDV-LLVKDONJSA-N -1 3 352.420 -0.001 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC000826083737 607555963 /nfs/dbraw/zinc/55/59/63/607555963.db2.gz PFGZTAQCMQSMDV-LLVKDONJSA-N -1 3 352.420 -0.001 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC000826083738 607556343 /nfs/dbraw/zinc/55/63/43/607556343.db2.gz PFGZTAQCMQSMDV-NSHDSACASA-N -1 3 352.420 -0.001 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC000826083738 607556341 /nfs/dbraw/zinc/55/63/41/607556341.db2.gz PFGZTAQCMQSMDV-NSHDSACASA-N -1 3 352.420 -0.001 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083756 607556221 /nfs/dbraw/zinc/55/62/21/607556221.db2.gz PVEGXMRVJANQAO-NEPJUHHUSA-N -1 3 365.419 -0.983 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083756 607556219 /nfs/dbraw/zinc/55/62/19/607556219.db2.gz PVEGXMRVJANQAO-NEPJUHHUSA-N -1 3 365.419 -0.983 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083757 607555991 /nfs/dbraw/zinc/55/59/91/607555991.db2.gz PVEGXMRVJANQAO-NWDGAFQWSA-N -1 3 365.419 -0.983 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083757 607555989 /nfs/dbraw/zinc/55/59/89/607555989.db2.gz PVEGXMRVJANQAO-NWDGAFQWSA-N -1 3 365.419 -0.983 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083758 607556081 /nfs/dbraw/zinc/55/60/81/607556081.db2.gz PVEGXMRVJANQAO-RYUDHWBXSA-N -1 3 365.419 -0.983 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083758 607556079 /nfs/dbraw/zinc/55/60/79/607556079.db2.gz PVEGXMRVJANQAO-RYUDHWBXSA-N -1 3 365.419 -0.983 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083759 607556053 /nfs/dbraw/zinc/55/60/53/607556053.db2.gz PVEGXMRVJANQAO-VXGBXAGGSA-N -1 3 365.419 -0.983 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083759 607556051 /nfs/dbraw/zinc/55/60/51/607556051.db2.gz PVEGXMRVJANQAO-VXGBXAGGSA-N -1 3 365.419 -0.983 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083763 607550307 /nfs/dbraw/zinc/55/03/07/607550307.db2.gz PYYJYAVOGWNAOS-LLVKDONJSA-N -1 3 372.432 -0.821 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083763 607550305 /nfs/dbraw/zinc/55/03/05/607550305.db2.gz PYYJYAVOGWNAOS-LLVKDONJSA-N -1 3 372.432 -0.821 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083764 607550284 /nfs/dbraw/zinc/55/02/84/607550284.db2.gz PYYJYAVOGWNAOS-NSHDSACASA-N -1 3 372.432 -0.821 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083764 607550282 /nfs/dbraw/zinc/55/02/82/607550282.db2.gz PYYJYAVOGWNAOS-NSHDSACASA-N -1 3 372.432 -0.821 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083837 607550102 /nfs/dbraw/zinc/55/01/02/607550102.db2.gz RZPCAVYGJJACJI-LLVKDONJSA-N -1 3 372.432 -0.821 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083837 607550100 /nfs/dbraw/zinc/55/01/00/607550100.db2.gz RZPCAVYGJJACJI-LLVKDONJSA-N -1 3 372.432 -0.821 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083941 607550156 /nfs/dbraw/zinc/55/01/56/607550156.db2.gz RZPCAVYGJJACJI-NSHDSACASA-N -1 3 372.432 -0.821 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083941 607550154 /nfs/dbraw/zinc/55/01/54/607550154.db2.gz RZPCAVYGJJACJI-NSHDSACASA-N -1 3 372.432 -0.821 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083950 607561037 /nfs/dbraw/zinc/56/10/37/607561037.db2.gz SDMXIXVFOFVFIJ-GFCCVEGCSA-N -1 3 365.419 -0.571 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083951 607561274 /nfs/dbraw/zinc/56/12/74/607561274.db2.gz SDMXIXVFOFVFIJ-LBPRGKRZSA-N -1 3 365.419 -0.571 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083965 607554672 /nfs/dbraw/zinc/55/46/72/607554672.db2.gz SIZZBLSDWMBQRK-GFCCVEGCSA-N -1 3 365.419 -0.571 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083965 607554671 /nfs/dbraw/zinc/55/46/71/607554671.db2.gz SIZZBLSDWMBQRK-GFCCVEGCSA-N -1 3 365.419 -0.571 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083966 607554863 /nfs/dbraw/zinc/55/48/63/607554863.db2.gz SIZZBLSDWMBQRK-LBPRGKRZSA-N -1 3 365.419 -0.571 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083966 607554861 /nfs/dbraw/zinc/55/48/61/607554861.db2.gz SIZZBLSDWMBQRK-LBPRGKRZSA-N -1 3 365.419 -0.571 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083999 607552932 /nfs/dbraw/zinc/55/29/32/607552932.db2.gz SZTRBQNSCIDPOD-GFCCVEGCSA-N -1 3 350.404 -0.441 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083999 607552931 /nfs/dbraw/zinc/55/29/31/607552931.db2.gz SZTRBQNSCIDPOD-GFCCVEGCSA-N -1 3 350.404 -0.441 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084000 607553072 /nfs/dbraw/zinc/55/30/72/607553072.db2.gz SZTRBQNSCIDPOD-LBPRGKRZSA-N -1 3 350.404 -0.441 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826084000 607553071 /nfs/dbraw/zinc/55/30/71/607553071.db2.gz SZTRBQNSCIDPOD-LBPRGKRZSA-N -1 3 350.404 -0.441 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084245 609253951 /nfs/dbraw/zinc/25/39/51/609253951.db2.gz WBRHALXDTLCDKM-NEPJUHHUSA-N -1 3 366.403 -0.950 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826084245 609253950 /nfs/dbraw/zinc/25/39/50/609253950.db2.gz WBRHALXDTLCDKM-NEPJUHHUSA-N -1 3 366.403 -0.950 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084246 609253518 /nfs/dbraw/zinc/25/35/18/609253518.db2.gz WBRHALXDTLCDKM-NWDGAFQWSA-N -1 3 366.403 -0.950 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826084246 609253516 /nfs/dbraw/zinc/25/35/16/609253516.db2.gz WBRHALXDTLCDKM-NWDGAFQWSA-N -1 3 366.403 -0.950 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084247 609253488 /nfs/dbraw/zinc/25/34/88/609253488.db2.gz WBRHALXDTLCDKM-RYUDHWBXSA-N -1 3 366.403 -0.950 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826084247 609253486 /nfs/dbraw/zinc/25/34/86/609253486.db2.gz WBRHALXDTLCDKM-RYUDHWBXSA-N -1 3 366.403 -0.950 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084248 609253856 /nfs/dbraw/zinc/25/38/56/609253856.db2.gz WBRHALXDTLCDKM-VXGBXAGGSA-N -1 3 366.403 -0.950 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826084248 609253854 /nfs/dbraw/zinc/25/38/54/609253854.db2.gz WBRHALXDTLCDKM-VXGBXAGGSA-N -1 3 366.403 -0.950 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084291 607553185 /nfs/dbraw/zinc/55/31/85/607553185.db2.gz XYZSHEOHJFBEGB-GFCCVEGCSA-N -1 3 366.403 -0.604 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084292 607553176 /nfs/dbraw/zinc/55/31/76/607553176.db2.gz XYZSHEOHJFBEGB-LBPRGKRZSA-N -1 3 366.403 -0.604 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826084308 607537298 /nfs/dbraw/zinc/53/72/98/607537298.db2.gz YNWAWUXBYSCHCK-GFCCVEGCSA-N -1 3 365.419 -0.300 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826084308 607537296 /nfs/dbraw/zinc/53/72/96/607537296.db2.gz YNWAWUXBYSCHCK-GFCCVEGCSA-N -1 3 365.419 -0.300 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826084309 607537398 /nfs/dbraw/zinc/53/73/98/607537398.db2.gz YNWAWUXBYSCHCK-LBPRGKRZSA-N -1 3 365.419 -0.300 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826084309 607537396 /nfs/dbraw/zinc/53/73/96/607537396.db2.gz YNWAWUXBYSCHCK-LBPRGKRZSA-N -1 3 365.419 -0.300 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084325 607553050 /nfs/dbraw/zinc/55/30/50/607553050.db2.gz ZEEFOOPXIXVOBA-CYBMUJFWSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826084325 607553048 /nfs/dbraw/zinc/55/30/48/607553048.db2.gz ZEEFOOPXIXVOBA-CYBMUJFWSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084326 607553121 /nfs/dbraw/zinc/55/31/21/607553121.db2.gz ZEEFOOPXIXVOBA-ZDUSSCGKSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826084326 607553120 /nfs/dbraw/zinc/55/31/20/607553120.db2.gz ZEEFOOPXIXVOBA-ZDUSSCGKSA-N -1 3 364.431 -0.051 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084402 607537506 /nfs/dbraw/zinc/53/75/06/607537506.db2.gz ZZPZZFRWEDQYHH-GFCCVEGCSA-N -1 3 365.419 -0.300 20 0 FBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826084402 607537505 /nfs/dbraw/zinc/53/75/05/607537505.db2.gz ZZPZZFRWEDQYHH-GFCCVEGCSA-N -1 3 365.419 -0.300 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084403 607537680 /nfs/dbraw/zinc/53/76/80/607537680.db2.gz ZZPZZFRWEDQYHH-LBPRGKRZSA-N -1 3 365.419 -0.300 20 0 FBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826084403 607537679 /nfs/dbraw/zinc/53/76/79/607537679.db2.gz ZZPZZFRWEDQYHH-LBPRGKRZSA-N -1 3 365.419 -0.300 20 0 FBADHM CNS(=O)(=O)CCCOC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826090274 609239284 /nfs/dbraw/zinc/23/92/84/609239284.db2.gz FLLHWGRVHUCOAH-UHFFFAOYSA-N -1 3 355.376 -0.272 20 0 FBADHM CNS(=O)(=O)CCCOC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826090274 609239282 /nfs/dbraw/zinc/23/92/82/609239282.db2.gz FLLHWGRVHUCOAH-UHFFFAOYSA-N -1 3 355.376 -0.272 20 0 FBADHM CNS(=O)(=O)CCCOC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826090291 609639882 /nfs/dbraw/zinc/63/98/82/609639882.db2.gz FSNAMBXPTZAWIH-LLVKDONJSA-N -1 3 355.376 -0.617 20 0 FBADHM CNS(=O)(=O)CCCOC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826090291 609639881 /nfs/dbraw/zinc/63/98/81/609639881.db2.gz FSNAMBXPTZAWIH-LLVKDONJSA-N -1 3 355.376 -0.617 20 0 FBADHM CNS(=O)(=O)CCCOC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826090293 609639867 /nfs/dbraw/zinc/63/98/67/609639867.db2.gz FSNAMBXPTZAWIH-NSHDSACASA-N -1 3 355.376 -0.617 20 0 FBADHM CNS(=O)(=O)CCCOC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826090293 609639866 /nfs/dbraw/zinc/63/98/66/609639866.db2.gz FSNAMBXPTZAWIH-NSHDSACASA-N -1 3 355.376 -0.617 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826090422 608382289 /nfs/dbraw/zinc/38/22/89/608382289.db2.gz HKQPDYNHQFQVEF-UHFFFAOYSA-N -1 3 353.360 -0.468 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826090422 608382287 /nfs/dbraw/zinc/38/22/87/608382287.db2.gz HKQPDYNHQFQVEF-UHFFFAOYSA-N -1 3 353.360 -0.468 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826090665 661107613 /nfs/dbraw/zinc/10/76/13/661107613.db2.gz KXJFVWPFBPSCSW-UHFFFAOYSA-N -1 3 374.404 -0.651 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826090665 661107611 /nfs/dbraw/zinc/10/76/11/661107611.db2.gz KXJFVWPFBPSCSW-UHFFFAOYSA-N -1 3 374.404 -0.651 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826090686 661107599 /nfs/dbraw/zinc/10/75/99/661107599.db2.gz LDDIWWPFOQJUNK-UHFFFAOYSA-N -1 3 353.360 -0.468 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826090686 661107597 /nfs/dbraw/zinc/10/75/97/661107597.db2.gz LDDIWWPFOQJUNK-UHFFFAOYSA-N -1 3 353.360 -0.468 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826090714 608382574 /nfs/dbraw/zinc/38/25/74/608382574.db2.gz LYTDBXXMNWFAAL-UHFFFAOYSA-N -1 3 355.376 -0.272 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826090714 608382572 /nfs/dbraw/zinc/38/25/72/608382572.db2.gz LYTDBXXMNWFAAL-UHFFFAOYSA-N -1 3 355.376 -0.272 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826090777 661107553 /nfs/dbraw/zinc/10/75/53/661107553.db2.gz OLBJXWKJZSMFLO-UHFFFAOYSA-N -1 3 368.375 -0.712 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826090777 661107552 /nfs/dbraw/zinc/10/75/52/661107552.db2.gz OLBJXWKJZSMFLO-UHFFFAOYSA-N -1 3 368.375 -0.712 20 0 FBADHM CNS(=O)(=O)CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826090781 608089561 /nfs/dbraw/zinc/08/95/61/608089561.db2.gz OVIDALXSFWNWRB-GFCCVEGCSA-N -1 3 366.403 -0.684 20 0 FBADHM CNS(=O)(=O)CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826090781 608089560 /nfs/dbraw/zinc/08/95/60/608089560.db2.gz OVIDALXSFWNWRB-GFCCVEGCSA-N -1 3 366.403 -0.684 20 0 FBADHM CNS(=O)(=O)CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826090782 608089637 /nfs/dbraw/zinc/08/96/37/608089637.db2.gz OVIDALXSFWNWRB-LBPRGKRZSA-N -1 3 366.403 -0.684 20 0 FBADHM CNS(=O)(=O)CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826090782 608089636 /nfs/dbraw/zinc/08/96/36/608089636.db2.gz OVIDALXSFWNWRB-LBPRGKRZSA-N -1 3 366.403 -0.684 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826090968 608382248 /nfs/dbraw/zinc/38/22/48/608382248.db2.gz SNZJJJDIKXZIPJ-UHFFFAOYSA-N -1 3 355.376 -0.142 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826090968 608382246 /nfs/dbraw/zinc/38/22/46/608382246.db2.gz SNZJJJDIKXZIPJ-UHFFFAOYSA-N -1 3 355.376 -0.142 20 0 FBADHM CNS(=O)(=O)CCCOC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826090988 609239421 /nfs/dbraw/zinc/23/94/21/609239421.db2.gz UEJBCOZYONLWQD-UHFFFAOYSA-N -1 3 354.392 -0.239 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000826091010 608382328 /nfs/dbraw/zinc/38/23/28/608382328.db2.gz USFXSMQSDSEDOF-UHFFFAOYSA-N -1 3 355.376 -0.272 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000826091010 608382327 /nfs/dbraw/zinc/38/23/27/608382327.db2.gz USFXSMQSDSEDOF-UHFFFAOYSA-N -1 3 355.376 -0.272 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000826091022 608382404 /nfs/dbraw/zinc/38/24/04/608382404.db2.gz VEQWNQHSATZRKC-UHFFFAOYSA-N -1 3 355.376 -0.142 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000826091022 608382402 /nfs/dbraw/zinc/38/24/02/608382402.db2.gz VEQWNQHSATZRKC-UHFFFAOYSA-N -1 3 355.376 -0.142 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826091120 661107504 /nfs/dbraw/zinc/10/75/04/661107504.db2.gz VODGTIFONAABIQ-UHFFFAOYSA-N -1 3 355.376 -0.272 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826091162 661107550 /nfs/dbraw/zinc/10/75/50/661107550.db2.gz XFZHURYEMPELSE-UHFFFAOYSA-N -1 3 368.375 -0.712 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826091162 661107549 /nfs/dbraw/zinc/10/75/49/661107549.db2.gz XFZHURYEMPELSE-UHFFFAOYSA-N -1 3 368.375 -0.712 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000826091192 608382486 /nfs/dbraw/zinc/38/24/86/608382486.db2.gz YINWBJZZCLAWOH-UHFFFAOYSA-N -1 3 355.376 -0.142 20 0 FBADHM CNS(=O)(=O)CCC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000826091192 608382484 /nfs/dbraw/zinc/38/24/84/608382484.db2.gz YINWBJZZCLAWOH-UHFFFAOYSA-N -1 3 355.376 -0.142 20 0 FBADHM COC(=O)[C@H](C)CN(C)c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000826098712 608381485 /nfs/dbraw/zinc/38/14/85/608381485.db2.gz MLNPVUSUDLLFTO-MRVPVSSYSA-N -1 3 354.392 -0.241 20 0 FBADHM COC(=O)[C@H](C)CN(C)c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000826098712 608381484 /nfs/dbraw/zinc/38/14/84/608381484.db2.gz MLNPVUSUDLLFTO-MRVPVSSYSA-N -1 3 354.392 -0.241 20 0 FBADHM COC(=O)[C@@H](C)CN(C)c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000826098713 608381553 /nfs/dbraw/zinc/38/15/53/608381553.db2.gz MLNPVUSUDLLFTO-QMMMGPOBSA-N -1 3 354.392 -0.241 20 0 FBADHM COC(=O)[C@@H](C)CN(C)c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000826098713 608381551 /nfs/dbraw/zinc/38/15/51/608381551.db2.gz MLNPVUSUDLLFTO-QMMMGPOBSA-N -1 3 354.392 -0.241 20 0 FBADHM COC(=O)[C@@H](CO)NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826102945 609191781 /nfs/dbraw/zinc/19/17/81/609191781.db2.gz BBPWVACBUJXHFB-CYBMUJFWSA-N -1 3 371.357 -0.375 20 0 FBADHM COC(=O)[C@@H](CO)NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826102945 609191780 /nfs/dbraw/zinc/19/17/80/609191780.db2.gz BBPWVACBUJXHFB-CYBMUJFWSA-N -1 3 371.357 -0.375 20 0 FBADHM COC(=O)[C@H](CO)NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826102946 609191997 /nfs/dbraw/zinc/19/19/97/609191997.db2.gz BBPWVACBUJXHFB-ZDUSSCGKSA-N -1 3 371.357 -0.375 20 0 FBADHM COC(=O)[C@H](CO)NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826102946 609191996 /nfs/dbraw/zinc/19/19/96/609191996.db2.gz BBPWVACBUJXHFB-ZDUSSCGKSA-N -1 3 371.357 -0.375 20 0 FBADHM COC(=O)[C@@H](CO)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826103412 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COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCN1CCNC(=O)C1 ZINC000826186224 609353615 /nfs/dbraw/zinc/35/36/15/609353615.db2.gz KATITGDOIUFXTJ-UHFFFAOYSA-N -1 3 360.378 -0.571 20 0 FBADHM COc1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1-n1cnnn1 ZINC000826187309 609383510 /nfs/dbraw/zinc/38/35/10/609383510.db2.gz KRAXQBADQJJADI-UHFFFAOYSA-N -1 3 364.329 -0.080 20 0 FBADHM COc1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1-n1cnnn1 ZINC000826187309 609383508 /nfs/dbraw/zinc/38/35/08/609383508.db2.gz KRAXQBADQJJADI-UHFFFAOYSA-N -1 3 364.329 -0.080 20 0 FBADHM COc1ccc(CN2C(=O)N(CC(N)=O)C(C)(C)C2=O)cc1-c1nn[n-]n1 ZINC000826193526 607972706 /nfs/dbraw/zinc/97/27/06/607972706.db2.gz GNUYVLOOHWQIBH-UHFFFAOYSA-N -1 3 373.373 -0.097 20 0 FBADHM COc1ccc(CN2C(=O)N(CC(N)=O)C(C)(C)C2=O)cc1-c1nnn[n-]1 ZINC000826193526 607972705 /nfs/dbraw/zinc/97/27/05/607972705.db2.gz GNUYVLOOHWQIBH-UHFFFAOYSA-N -1 3 373.373 -0.097 20 0 FBADHM COc1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1-c1nn[n-]n1 ZINC000826194734 607501803 /nfs/dbraw/zinc/50/18/03/607501803.db2.gz UVKARLMJEYCZEF-LLVKDONJSA-N -1 3 352.420 -0.001 20 0 FBADHM COc1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1-c1nnn[n-]1 ZINC000826194734 607501802 /nfs/dbraw/zinc/50/18/02/607501802.db2.gz UVKARLMJEYCZEF-LLVKDONJSA-N -1 3 352.420 -0.001 20 0 FBADHM COc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1-c1nn[n-]n1 ZINC000826194735 607502015 /nfs/dbraw/zinc/50/20/15/607502015.db2.gz UVKARLMJEYCZEF-NSHDSACASA-N -1 3 352.420 -0.001 20 0 FBADHM COc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1-c1nnn[n-]1 ZINC000826194735 607502013 /nfs/dbraw/zinc/50/20/13/607502013.db2.gz UVKARLMJEYCZEF-NSHDSACASA-N -1 3 352.420 -0.001 20 0 FBADHM COc1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000826194949 607515466 /nfs/dbraw/zinc/51/54/66/607515466.db2.gz BNIVEBGMIYHEOT-LLVKDONJSA-N -1 3 357.374 -0.982 20 0 FBADHM COc1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1-c1nnn[n-]1 ZINC000826194949 607515463 /nfs/dbraw/zinc/51/54/63/607515463.db2.gz BNIVEBGMIYHEOT-LLVKDONJSA-N -1 3 357.374 -0.982 20 0 FBADHM COc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1-c1nn[n-]n1 ZINC000826194950 607515146 /nfs/dbraw/zinc/51/51/46/607515146.db2.gz BNIVEBGMIYHEOT-NSHDSACASA-N -1 3 357.374 -0.982 20 0 FBADHM COc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1-c1nnn[n-]1 ZINC000826194950 607515144 /nfs/dbraw/zinc/51/51/44/607515144.db2.gz BNIVEBGMIYHEOT-NSHDSACASA-N -1 3 357.374 -0.982 20 0 FBADHM COc1ccc(CN2CCN(S(N)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC000826195344 607499434 /nfs/dbraw/zinc/49/94/34/607499434.db2.gz PYUBTADZKZFJMT-UHFFFAOYSA-N -1 3 353.408 -0.804 20 0 FBADHM COc1ccc(CN2CCN(S(N)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC000826195344 607499433 /nfs/dbraw/zinc/49/94/33/607499433.db2.gz PYUBTADZKZFJMT-UHFFFAOYSA-N -1 3 353.408 -0.804 20 0 FBADHM COc1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC000826195603 607477269 /nfs/dbraw/zinc/47/72/69/607477269.db2.gz ZNCRRWYJFNKVPN-UHFFFAOYSA-N -1 3 352.420 -0.048 20 0 FBADHM COc1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC000826195603 607477265 /nfs/dbraw/zinc/47/72/65/607477265.db2.gz ZNCRRWYJFNKVPN-UHFFFAOYSA-N -1 3 352.420 -0.048 20 0 FBADHM COc1ccc(CNC(=O)C(C)(C)NS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826195632 607589245 /nfs/dbraw/zinc/58/92/45/607589245.db2.gz AMIURTPFKFMFGM-UHFFFAOYSA-N -1 3 368.419 -0.181 20 0 FBADHM COc1ccc(CNC(=O)C(C)(C)NS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826195632 607589244 /nfs/dbraw/zinc/58/92/44/607589244.db2.gz AMIURTPFKFMFGM-UHFFFAOYSA-N -1 3 368.419 -0.181 20 0 FBADHM COc1ccc(CNC(=O)[C@@H](C)NS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826195898 607627504 /nfs/dbraw/zinc/62/75/04/607627504.db2.gz JLPWQNFRYXXLGT-MRVPVSSYSA-N -1 3 354.392 -0.571 20 0 FBADHM COc1ccc(CNC(=O)[C@@H](C)NS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826195898 607627503 /nfs/dbraw/zinc/62/75/03/607627503.db2.gz JLPWQNFRYXXLGT-MRVPVSSYSA-N -1 3 354.392 -0.571 20 0 FBADHM COc1ccc(CNC(=O)[C@H](C)NS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826195899 607627799 /nfs/dbraw/zinc/62/77/99/607627799.db2.gz JLPWQNFRYXXLGT-QMMMGPOBSA-N -1 3 354.392 -0.571 20 0 FBADHM COc1ccc(CNC(=O)[C@H](C)NS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826195899 607627797 /nfs/dbraw/zinc/62/77/97/607627797.db2.gz JLPWQNFRYXXLGT-QMMMGPOBSA-N -1 3 354.392 -0.571 20 0 FBADHM COc1ccc(CNC(=O)C(=O)Nc2ccn(C)n2)cc1-c1nn[n-]n1 ZINC000826196066 607631116 /nfs/dbraw/zinc/63/11/16/607631116.db2.gz PHZUQVQWVOMHPT-UHFFFAOYSA-N -1 3 356.346 -0.136 20 0 FBADHM COc1ccc(CNC(=O)C(=O)Nc2ccn(C)n2)cc1-c1nnn[n-]1 ZINC000826196066 607631115 /nfs/dbraw/zinc/63/11/15/607631115.db2.gz PHZUQVQWVOMHPT-UHFFFAOYSA-N -1 3 356.346 -0.136 20 0 FBADHM COc1ccc(CNC(=O)C(=O)Nc2cnn(C)c2)cc1-c1nn[n-]n1 ZINC000826196136 607631319 /nfs/dbraw/zinc/63/13/19/607631319.db2.gz RDJIRZGFTFSFJQ-UHFFFAOYSA-N -1 3 356.346 -0.136 20 0 FBADHM COc1ccc(CNC(=O)C(=O)Nc2cnn(C)c2)cc1-c1nnn[n-]1 ZINC000826196136 607631317 /nfs/dbraw/zinc/63/13/17/607631317.db2.gz RDJIRZGFTFSFJQ-UHFFFAOYSA-N -1 3 356.346 -0.136 20 0 FBADHM COc1ccc(CNC(=O)C(=O)Nc2ccnn2C)cc1-c1nn[n-]n1 ZINC000826196200 607631024 /nfs/dbraw/zinc/63/10/24/607631024.db2.gz TVJCCGMALLQKEZ-UHFFFAOYSA-N -1 3 356.346 -0.136 20 0 FBADHM COc1ccc(CNC(=O)C(=O)Nc2ccnn2C)cc1-c1nnn[n-]1 ZINC000826196200 607631023 /nfs/dbraw/zinc/63/10/23/607631023.db2.gz TVJCCGMALLQKEZ-UHFFFAOYSA-N -1 3 356.346 -0.136 20 0 FBADHM COc1ccc(CNC(=O)CCCN2C(=O)CNC2=O)cc1-c1nn[n-]n1 ZINC000826196403 607591227 /nfs/dbraw/zinc/59/12/27/607591227.db2.gz AFBMVQNNURMASP-UHFFFAOYSA-N -1 3 373.373 -0.177 20 0 FBADHM COc1ccc(CNC(=O)CCCN2C(=O)CNC2=O)cc1-c1nnn[n-]1 ZINC000826196403 607591226 /nfs/dbraw/zinc/59/12/26/607591226.db2.gz AFBMVQNNURMASP-UHFFFAOYSA-N -1 3 373.373 -0.177 20 0 FBADHM COc1ccc(CNC(=O)CN2CCCS2(=O)=O)cc1-c1nn[n-]n1 ZINC000826196473 607585382 /nfs/dbraw/zinc/58/53/82/607585382.db2.gz DBPNWSDXSWRTEE-UHFFFAOYSA-N -1 3 366.403 -0.473 20 0 FBADHM COc1ccc(CNC(=O)CN2CCCS2(=O)=O)cc1-c1nnn[n-]1 ZINC000826196473 607585380 /nfs/dbraw/zinc/58/53/80/607585380.db2.gz DBPNWSDXSWRTEE-UHFFFAOYSA-N -1 3 366.403 -0.473 20 0 FBADHM COc1ccc(CNC(=O)CN2CCC(=O)NC2=O)cc1-c1nn[n-]n1 ZINC000826196501 607592426 /nfs/dbraw/zinc/59/24/26/607592426.db2.gz DXHYUSADYSQMNO-UHFFFAOYSA-N -1 3 359.346 -0.567 20 0 FBADHM COc1ccc(CNC(=O)CN2CCC(=O)NC2=O)cc1-c1nnn[n-]1 ZINC000826196501 607592424 /nfs/dbraw/zinc/59/24/24/607592424.db2.gz DXHYUSADYSQMNO-UHFFFAOYSA-N -1 3 359.346 -0.567 20 0 FBADHM COc1ccc(CNC(=O)[C@H]2COCCN2C(C)=O)cc1-c1nn[n-]n1 ZINC000826196614 608198188 /nfs/dbraw/zinc/19/81/88/608198188.db2.gz IJWCYAWTTDRRBL-CYBMUJFWSA-N -1 3 360.374 -0.261 20 0 FBADHM COc1ccc(CNC(=O)[C@H]2COCCN2C(C)=O)cc1-c1nnn[n-]1 ZINC000826196614 608198185 /nfs/dbraw/zinc/19/81/85/608198185.db2.gz IJWCYAWTTDRRBL-CYBMUJFWSA-N -1 3 360.374 -0.261 20 0 FBADHM COc1ccc(CNC(=O)[C@@H]2COCCN2C(C)=O)cc1-c1nn[n-]n1 ZINC000826196615 608198320 /nfs/dbraw/zinc/19/83/20/608198320.db2.gz IJWCYAWTTDRRBL-ZDUSSCGKSA-N -1 3 360.374 -0.261 20 0 FBADHM COc1ccc(CNC(=O)[C@@H]2COCCN2C(C)=O)cc1-c1nnn[n-]1 ZINC000826196615 608198318 /nfs/dbraw/zinc/19/83/18/608198318.db2.gz IJWCYAWTTDRRBL-ZDUSSCGKSA-N -1 3 360.374 -0.261 20 0 FBADHM COc1ccc(CNC(=O)CCNS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826196632 607591287 /nfs/dbraw/zinc/59/12/87/607591287.db2.gz ITRQYWCFOGETII-UHFFFAOYSA-N -1 3 354.392 -0.569 20 0 FBADHM COc1ccc(CNC(=O)CCNS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826196632 607591286 /nfs/dbraw/zinc/59/12/86/607591286.db2.gz ITRQYWCFOGETII-UHFFFAOYSA-N -1 3 354.392 -0.569 20 0 FBADHM COc1ccc(CNC(=O)[C@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000826196667 607580866 /nfs/dbraw/zinc/58/08/66/607580866.db2.gz JZFVNAGUEXFKKL-JTQLQIEISA-N -1 3 351.388 -0.074 20 0 FBADHM COc1ccc(CNC(=O)[C@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000826196667 607580864 /nfs/dbraw/zinc/58/08/64/607580864.db2.gz JZFVNAGUEXFKKL-JTQLQIEISA-N -1 3 351.388 -0.074 20 0 FBADHM COc1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000826196668 607580832 /nfs/dbraw/zinc/58/08/32/607580832.db2.gz JZFVNAGUEXFKKL-SNVBAGLBSA-N -1 3 351.388 -0.074 20 0 FBADHM COc1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000826196668 607580829 /nfs/dbraw/zinc/58/08/29/607580829.db2.gz JZFVNAGUEXFKKL-SNVBAGLBSA-N -1 3 351.388 -0.074 20 0 FBADHM COc1ccc(CNC(=O)CN2C(=O)CN(C)C2=O)cc1-c1nn[n-]n1 ZINC000826196675 607590995 /nfs/dbraw/zinc/59/09/95/607590995.db2.gz KINPEIUDHKPNAR-UHFFFAOYSA-N -1 3 359.346 -0.615 20 0 FBADHM COc1ccc(CNC(=O)CN2C(=O)CN(C)C2=O)cc1-c1nnn[n-]1 ZINC000826196675 607590994 /nfs/dbraw/zinc/59/09/94/607590994.db2.gz KINPEIUDHKPNAR-UHFFFAOYSA-N -1 3 359.346 -0.615 20 0 FBADHM COc1ccc(CNC(=O)CN(C)S(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826196839 607590932 /nfs/dbraw/zinc/59/09/32/607590932.db2.gz QGPJRLVICOVZNF-UHFFFAOYSA-N -1 3 354.392 -0.617 20 0 FBADHM COc1ccc(CNC(=O)CN(C)S(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826196839 607590930 /nfs/dbraw/zinc/59/09/30/607590930.db2.gz QGPJRLVICOVZNF-UHFFFAOYSA-N -1 3 354.392 -0.617 20 0 FBADHM COc1ccc(CNC(=O)Cn2cc([C@@H](C)O)nn2)cc1-c1nn[n-]n1 ZINC000826197408 607627463 /nfs/dbraw/zinc/62/74/63/607627463.db2.gz NTTIBPILFKOBIS-SECBINFHSA-N -1 3 358.362 -0.164 20 0 FBADHM COc1ccc(CNC(=O)Cn2cc([C@@H](C)O)nn2)cc1-c1nnn[n-]1 ZINC000826197408 607627462 /nfs/dbraw/zinc/62/74/62/607627462.db2.gz NTTIBPILFKOBIS-SECBINFHSA-N -1 3 358.362 -0.164 20 0 FBADHM COc1ccc(CNC(=O)Cn2cc([C@H](C)O)nn2)cc1-c1nn[n-]n1 ZINC000826197409 607627632 /nfs/dbraw/zinc/62/76/32/607627632.db2.gz NTTIBPILFKOBIS-VIFPVBQESA-N -1 3 358.362 -0.164 20 0 FBADHM COc1ccc(CNC(=O)Cn2cc([C@H](C)O)nn2)cc1-c1nnn[n-]1 ZINC000826197409 607627631 /nfs/dbraw/zinc/62/76/31/607627631.db2.gz NTTIBPILFKOBIS-VIFPVBQESA-N -1 3 358.362 -0.164 20 0 FBADHM COc1ccc(CNC(=O)Cn2ccc(=O)n(C)c2=O)cc1-c1nn[n-]n1 ZINC000826197462 607586199 /nfs/dbraw/zinc/58/61/99/607586199.db2.gz PVIGAKVTLAILNI-UHFFFAOYSA-N -1 3 371.357 -0.948 20 0 FBADHM COc1ccc(CNC(=O)Cn2ccc(=O)n(C)c2=O)cc1-c1nnn[n-]1 ZINC000826197462 607586197 /nfs/dbraw/zinc/58/61/97/607586197.db2.gz PVIGAKVTLAILNI-UHFFFAOYSA-N -1 3 371.357 -0.948 20 0 FBADHM COc1ccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1-c1nn[n-]n1 ZINC000826197582 607581644 /nfs/dbraw/zinc/58/16/44/607581644.db2.gz VICYRLANYPJPJL-UHFFFAOYSA-N -1 3 357.330 -0.546 20 0 FBADHM COc1ccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1-c1nnn[n-]1 ZINC000826197582 607581643 /nfs/dbraw/zinc/58/16/43/607581643.db2.gz VICYRLANYPJPJL-UHFFFAOYSA-N -1 3 357.330 -0.546 20 0 FBADHM COc1ccc(CNC(=O)N2CCO[C@@H](C(N)=O)C2)cc1-c1nn[n-]n1 ZINC000826197715 607627650 /nfs/dbraw/zinc/62/76/50/607627650.db2.gz AJSQSQASIWZNEI-GFCCVEGCSA-N -1 3 361.362 -0.729 20 0 FBADHM COc1ccc(CNC(=O)N2CCO[C@@H](C(N)=O)C2)cc1-c1nnn[n-]1 ZINC000826197715 607627647 /nfs/dbraw/zinc/62/76/47/607627647.db2.gz AJSQSQASIWZNEI-GFCCVEGCSA-N -1 3 361.362 -0.729 20 0 FBADHM COc1ccc(CNC(=O)N2CCO[C@H](C(N)=O)C2)cc1-c1nn[n-]n1 ZINC000826197716 607627665 /nfs/dbraw/zinc/62/76/65/607627665.db2.gz AJSQSQASIWZNEI-LBPRGKRZSA-N -1 3 361.362 -0.729 20 0 FBADHM COc1ccc(CNC(=O)N2CCO[C@H](C(N)=O)C2)cc1-c1nnn[n-]1 ZINC000826197716 607627663 /nfs/dbraw/zinc/62/76/63/607627663.db2.gz AJSQSQASIWZNEI-LBPRGKRZSA-N -1 3 361.362 -0.729 20 0 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-0.275 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](C)S(C)(=O)=O ZINC000826256062 607819409 /nfs/dbraw/zinc/81/94/09/607819409.db2.gz SYRFPKMKVOQNKZ-SECBINFHSA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](C)S(C)(=O)=O ZINC000826256062 607819408 /nfs/dbraw/zinc/81/94/08/607819408.db2.gz SYRFPKMKVOQNKZ-SECBINFHSA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H](C)S(C)(=O)=O ZINC000826256063 607819456 /nfs/dbraw/zinc/81/94/56/607819456.db2.gz SYRFPKMKVOQNKZ-VIFPVBQESA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H](C)S(C)(=O)=O ZINC000826256063 607819455 /nfs/dbraw/zinc/81/94/55/607819455.db2.gz SYRFPKMKVOQNKZ-VIFPVBQESA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(C(=O)CO)CC1 ZINC000826256098 608565860 /nfs/dbraw/zinc/56/58/60/608565860.db2.gz VAHQAONXEFSEKU-UHFFFAOYSA-N -1 3 366.403 -1.000 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(C(=O)CO)CC1 ZINC000826256098 608565859 /nfs/dbraw/zinc/56/58/59/608565859.db2.gz VAHQAONXEFSEKU-UHFFFAOYSA-N -1 3 366.403 -1.000 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000826256119 607647577 /nfs/dbraw/zinc/64/75/77/607647577.db2.gz VTRBKSAGTWBCKD-GFCCVEGCSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000826256119 607647576 /nfs/dbraw/zinc/64/75/76/607647576.db2.gz VTRBKSAGTWBCKD-GFCCVEGCSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H](O)c1cnn(C)c1 ZINC000826256120 607647726 /nfs/dbraw/zinc/64/77/26/607647726.db2.gz VTRBKSAGTWBCKD-LBPRGKRZSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H](O)c1cnn(C)c1 ZINC000826256120 607647724 /nfs/dbraw/zinc/64/77/24/607647724.db2.gz VTRBKSAGTWBCKD-LBPRGKRZSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](CO)c1cnn(C)c1 ZINC000826256208 607938293 /nfs/dbraw/zinc/93/82/93/607938293.db2.gz YUFLGFYPQDKVKU-GFCCVEGCSA-N -1 3 363.403 -0.079 20 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609141051 /nfs/dbraw/zinc/14/10/51/609141051.db2.gz KRURHDSBIVUCHQ-UHFFFAOYSA-N -1 3 352.358 -0.067 20 0 FBADHM Cc1cc(C(=O)N2CCNC(=O)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258413 609141049 /nfs/dbraw/zinc/14/10/49/609141049.db2.gz KRURHDSBIVUCHQ-UHFFFAOYSA-N -1 3 352.358 -0.067 20 0 FBADHM Cc1cc(C(=O)N[C@@H]2CN(C)NC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258984 609261360 /nfs/dbraw/zinc/26/13/60/609261360.db2.gz DCAXTGMBMRSRHZ-CYBMUJFWSA-N -1 3 367.373 -0.564 20 0 FBADHM Cc1cc(C(=O)N[C@@H]2CN(C)NC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258984 609261359 /nfs/dbraw/zinc/26/13/59/609261359.db2.gz DCAXTGMBMRSRHZ-CYBMUJFWSA-N -1 3 367.373 -0.564 20 0 FBADHM Cc1cc(C(=O)N[C@H]2CN(C)NC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258985 609261665 /nfs/dbraw/zinc/26/16/65/609261665.db2.gz DCAXTGMBMRSRHZ-ZDUSSCGKSA-N -1 3 367.373 -0.564 20 0 FBADHM Cc1cc(C(=O)N[C@H]2CN(C)NC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258985 609261664 /nfs/dbraw/zinc/26/16/64/609261664.db2.gz DCAXTGMBMRSRHZ-ZDUSSCGKSA-N -1 3 367.373 -0.564 20 0 FBADHM Cc1cc(C(=O)NCCOCC(N)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259146 609163659 /nfs/dbraw/zinc/16/36/59/609163659.db2.gz JKELCSDDKHAUBP-UHFFFAOYSA-N -1 3 370.373 -0.407 20 0 FBADHM Cc1cc(C(=O)NCCOCC(N)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259146 609163657 /nfs/dbraw/zinc/16/36/57/609163657.db2.gz JKELCSDDKHAUBP-UHFFFAOYSA-N -1 3 370.373 -0.407 20 0 FBADHM Cc1cc(C(=O)NCC(=O)NCCO)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259320 609248537 /nfs/dbraw/zinc/24/85/37/609248537.db2.gz OLSAJJXLUDASMH-UHFFFAOYSA-N -1 3 370.373 -0.801 20 0 FBADHM Cc1cc(C(=O)NCC(=O)NCCO)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259320 609248536 /nfs/dbraw/zinc/24/85/36/609248536.db2.gz OLSAJJXLUDASMH-UHFFFAOYSA-N -1 3 370.373 -0.801 20 0 FBADHM Cc1cc(C(=O)NCCNC(N)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259629 609232538 /nfs/dbraw/zinc/23/25/38/609232538.db2.gz YKCATDBHYJDKNX-UHFFFAOYSA-N -1 3 355.362 -0.241 20 0 FBADHM Cc1cc(C(=O)NCCNC(N)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259629 609232536 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ZINC000826275193 608270909 /nfs/dbraw/zinc/27/09/09/608270909.db2.gz RLVPAYYFIHJGGR-GFCCVEGCSA-N -1 3 363.447 -0.121 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000826275194 608271170 /nfs/dbraw/zinc/27/11/70/608271170.db2.gz RLVPAYYFIHJGGR-LBPRGKRZSA-N -1 3 363.447 -0.121 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000826275194 608271169 /nfs/dbraw/zinc/27/11/69/608271169.db2.gz RLVPAYYFIHJGGR-LBPRGKRZSA-N -1 3 363.447 -0.121 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(S(=O)(=O)N(C)C)CC2)n1 ZINC000826275228 608272650 /nfs/dbraw/zinc/27/26/50/608272650.db2.gz SRSJGKYUJGPFJV-UHFFFAOYSA-N -1 3 352.424 -0.501 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(S(=O)(=O)N(C)C)CC2)n1 ZINC000826275228 608272648 /nfs/dbraw/zinc/27/26/48/608272648.db2.gz SRSJGKYUJGPFJV-UHFFFAOYSA-N -1 3 352.424 -0.501 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000826275367 608292199 /nfs/dbraw/zinc/29/21/99/608292199.db2.gz XVJFQENPGMGLBI-UHFFFAOYSA-N -1 3 353.390 -0.010 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000826275367 608292197 /nfs/dbraw/zinc/29/21/97/608292197.db2.gz XVJFQENPGMGLBI-UHFFFAOYSA-N -1 3 353.390 -0.010 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1 ZINC000826275436 608275845 /nfs/dbraw/zinc/27/58/45/608275845.db2.gz ZTZGQXORJWBXEF-UHFFFAOYSA-N -1 3 356.390 -0.503 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1 ZINC000826275436 608275843 /nfs/dbraw/zinc/27/58/43/608275843.db2.gz ZTZGQXORJWBXEF-UHFFFAOYSA-N -1 3 356.390 -0.503 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)c(NCCN2CCN(S(C)(=O)=O)CC2)n1 ZINC000826276441 608374828 /nfs/dbraw/zinc/37/48/28/608374828.db2.gz GWEDUEOQCDKMSD-UHFFFAOYSA-N -1 3 366.451 -0.441 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)c(NCCN2CCN(S(C)(=O)=O)CC2)n1 ZINC000826276441 608374826 /nfs/dbraw/zinc/37/48/26/608374826.db2.gz GWEDUEOQCDKMSD-UHFFFAOYSA-N -1 3 366.451 -0.441 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)c(NCCS(=O)(=O)N2CCOCC2)n1 ZINC000826276783 608280710 /nfs/dbraw/zinc/28/07/10/608280710.db2.gz WYNKJXPWPBSOES-UHFFFAOYSA-N -1 3 353.408 -0.356 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)c(NCCS(=O)(=O)N2CCOCC2)n1 ZINC000826276783 608280708 /nfs/dbraw/zinc/28/07/08/608280708.db2.gz WYNKJXPWPBSOES-UHFFFAOYSA-N -1 3 353.408 -0.356 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826277108 608247002 /nfs/dbraw/zinc/24/70/02/608247002.db2.gz JRDDJTWJFWXVCS-GFCCVEGCSA-N -1 3 369.385 -0.053 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826277108 608247001 /nfs/dbraw/zinc/24/70/01/608247001.db2.gz JRDDJTWJFWXVCS-GFCCVEGCSA-N -1 3 369.385 -0.053 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000826277109 608247328 /nfs/dbraw/zinc/24/73/28/608247328.db2.gz JRDDJTWJFWXVCS-LBPRGKRZSA-N -1 3 369.385 -0.053 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000826277109 608247327 /nfs/dbraw/zinc/24/73/27/608247327.db2.gz JRDDJTWJFWXVCS-LBPRGKRZSA-N -1 3 369.385 -0.053 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000826277176 607837075 /nfs/dbraw/zinc/83/70/75/607837075.db2.gz LYPLTVNHFOFEMX-SECBINFHSA-N -1 3 366.403 -0.337 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000826277176 607837074 /nfs/dbraw/zinc/83/70/74/607837074.db2.gz LYPLTVNHFOFEMX-SECBINFHSA-N -1 3 366.403 -0.337 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000826277177 607837106 /nfs/dbraw/zinc/83/71/06/607837106.db2.gz LYPLTVNHFOFEMX-VIFPVBQESA-N -1 3 366.403 -0.337 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000826277177 607837105 /nfs/dbraw/zinc/83/71/05/607837105.db2.gz LYPLTVNHFOFEMX-VIFPVBQESA-N -1 3 366.403 -0.337 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)C[S@](C)=O ZINC000826277212 608144906 /nfs/dbraw/zinc/14/49/06/608144906.db2.gz NKJMOUIOFMQBPD-ITSYKEIMSA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)C[S@](C)=O ZINC000826277212 608144905 /nfs/dbraw/zinc/14/49/05/608144905.db2.gz NKJMOUIOFMQBPD-ITSYKEIMSA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)C[S@@](C)=O ZINC000826277213 608145000 /nfs/dbraw/zinc/14/50/00/608145000.db2.gz NKJMOUIOFMQBPD-MXUQEVIESA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)C[S@@](C)=O ZINC000826277213 608144999 /nfs/dbraw/zinc/14/49/99/608144999.db2.gz NKJMOUIOFMQBPD-MXUQEVIESA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000826277214 608144809 /nfs/dbraw/zinc/14/48/09/608144809.db2.gz NKJMOUIOFMQBPD-UZKFNYRNSA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000826277214 608144808 /nfs/dbraw/zinc/14/48/08/608144808.db2.gz NKJMOUIOFMQBPD-UZKFNYRNSA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)C[S@](C)=O ZINC000826277215 608144861 /nfs/dbraw/zinc/14/48/61/608144861.db2.gz NKJMOUIOFMQBPD-VHMAXNEBSA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)C[S@](C)=O ZINC000826277215 608144860 /nfs/dbraw/zinc/14/48/60/608144860.db2.gz NKJMOUIOFMQBPD-VHMAXNEBSA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000826277236 608107729 /nfs/dbraw/zinc/10/77/29/608107729.db2.gz OBTFUDJOQZXEIB-JTQLQIEISA-N -1 3 358.362 -0.617 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000826277236 608107728 /nfs/dbraw/zinc/10/77/28/608107728.db2.gz OBTFUDJOQZXEIB-JTQLQIEISA-N -1 3 358.362 -0.617 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000826277237 608108681 /nfs/dbraw/zinc/10/86/81/608108681.db2.gz OBTFUDJOQZXEIB-SNVBAGLBSA-N -1 3 358.362 -0.617 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000826277237 608108680 /nfs/dbraw/zinc/10/86/80/608108680.db2.gz OBTFUDJOQZXEIB-SNVBAGLBSA-N -1 3 358.362 -0.617 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000826277273 608144306 /nfs/dbraw/zinc/14/43/06/608144306.db2.gz PKRJIRHQEZNHDP-UHFFFAOYSA-N -1 3 355.362 -0.088 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000826277273 608144305 /nfs/dbraw/zinc/14/43/05/608144305.db2.gz PKRJIRHQEZNHDP-UHFFFAOYSA-N -1 3 355.362 -0.088 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1cncnc1N ZINC000826277334 608362022 /nfs/dbraw/zinc/36/20/22/608362022.db2.gz RDBPNALVGHPJIJ-UHFFFAOYSA-N -1 3 353.346 -0.198 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1cncnc1N ZINC000826277334 608362021 /nfs/dbraw/zinc/36/20/21/608362021.db2.gz RDBPNALVGHPJIJ-UHFFFAOYSA-N -1 3 353.346 -0.198 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CO)c1cnn(C)c1 ZINC000826277435 607944280 /nfs/dbraw/zinc/94/42/80/607944280.db2.gz UTCPGYFXEMKAIW-CYBMUJFWSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CO)c1cnn(C)c1 ZINC000826277435 607944279 /nfs/dbraw/zinc/94/42/79/607944279.db2.gz UTCPGYFXEMKAIW-CYBMUJFWSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000826277436 607944331 /nfs/dbraw/zinc/94/43/31/607944331.db2.gz UTCPGYFXEMKAIW-ZDUSSCGKSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000826277436 607944330 /nfs/dbraw/zinc/94/43/30/607944330.db2.gz UTCPGYFXEMKAIW-ZDUSSCGKSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(=O)NCC1CC1 ZINC000826277598 609357129 /nfs/dbraw/zinc/35/71/29/609357129.db2.gz ZXJQJSFLZOZKAT-UHFFFAOYSA-N -1 3 357.374 -0.244 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(=O)NCC1CC1 ZINC000826277598 609357126 /nfs/dbraw/zinc/35/71/26/609357126.db2.gz ZXJQJSFLZOZKAT-UHFFFAOYSA-N -1 3 357.374 -0.244 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000826278320 608078761 /nfs/dbraw/zinc/07/87/61/608078761.db2.gz XSXJOTYKWFTVSZ-CYBMUJFWSA-N -1 3 361.406 -0.010 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000826278320 608078760 /nfs/dbraw/zinc/07/87/60/608078760.db2.gz XSXJOTYKWFTVSZ-CYBMUJFWSA-N -1 3 361.406 -0.010 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000826278321 608078855 /nfs/dbraw/zinc/07/88/55/608078855.db2.gz XSXJOTYKWFTVSZ-ZDUSSCGKSA-N -1 3 361.406 -0.010 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000826278321 608078854 /nfs/dbraw/zinc/07/88/54/608078854.db2.gz XSXJOTYKWFTVSZ-ZDUSSCGKSA-N -1 3 361.406 -0.010 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCSC[C@H]1C(N)=O ZINC000826278953 608565783 /nfs/dbraw/zinc/56/57/83/608565783.db2.gz ABQGTDQCZQZKPL-JTQLQIEISA-N -1 3 368.444 -0.233 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCSC[C@H]1C(N)=O ZINC000826278953 608565782 /nfs/dbraw/zinc/56/57/82/608565782.db2.gz ABQGTDQCZQZKPL-JTQLQIEISA-N -1 3 368.444 -0.233 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCSC[C@@H]1C(N)=O ZINC000826278954 608565567 /nfs/dbraw/zinc/56/55/67/608565567.db2.gz ABQGTDQCZQZKPL-SNVBAGLBSA-N -1 3 368.444 -0.233 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCSC[C@@H]1C(N)=O ZINC000826278954 608565565 /nfs/dbraw/zinc/56/55/65/608565565.db2.gz ABQGTDQCZQZKPL-SNVBAGLBSA-N -1 3 368.444 -0.233 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@H](NC(N)=O)C1 ZINC000826278964 608098002 /nfs/dbraw/zinc/09/80/02/608098002.db2.gz ALYFWPMYHUYLIU-JTQLQIEISA-N -1 3 351.392 -0.394 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@H](NC(N)=O)C1 ZINC000826278964 608098001 /nfs/dbraw/zinc/09/80/01/608098001.db2.gz ALYFWPMYHUYLIU-JTQLQIEISA-N -1 3 351.392 -0.394 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000826278965 608097958 /nfs/dbraw/zinc/09/79/58/608097958.db2.gz ALYFWPMYHUYLIU-SNVBAGLBSA-N -1 3 351.392 -0.394 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000826278965 608097957 /nfs/dbraw/zinc/09/79/57/608097957.db2.gz ALYFWPMYHUYLIU-SNVBAGLBSA-N -1 3 351.392 -0.394 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C(=O)CO)CC1 ZINC000826278995 608565388 /nfs/dbraw/zinc/56/53/88/608565388.db2.gz BJFQYXDJGYXMSI-UHFFFAOYSA-N -1 3 366.403 -1.000 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(C(=O)CO)CC1 ZINC000826278995 608565387 /nfs/dbraw/zinc/56/53/87/608565387.db2.gz BJFQYXDJGYXMSI-UHFFFAOYSA-N -1 3 366.403 -1.000 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](CO)c1cnn(C)c1 ZINC000826279210 607938074 /nfs/dbraw/zinc/93/80/74/607938074.db2.gz JBEHSAZBFQBRGI-GFCCVEGCSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](CO)c1cnn(C)c1 ZINC000826279210 607938073 /nfs/dbraw/zinc/93/80/73/607938073.db2.gz JBEHSAZBFQBRGI-GFCCVEGCSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000826279211 607938229 /nfs/dbraw/zinc/93/82/29/607938229.db2.gz JBEHSAZBFQBRGI-LBPRGKRZSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000826279211 607938228 /nfs/dbraw/zinc/93/82/28/607938228.db2.gz JBEHSAZBFQBRGI-LBPRGKRZSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000826279277 607632606 /nfs/dbraw/zinc/63/26/06/607632606.db2.gz LRVHMBOJZFLVHY-GFCCVEGCSA-N -1 3 366.447 -0.138 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000826279277 607632605 /nfs/dbraw/zinc/63/26/05/607632605.db2.gz LRVHMBOJZFLVHY-GFCCVEGCSA-N -1 3 366.447 -0.138 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C[C@H](C)O)CC1 ZINC000826279278 607632630 /nfs/dbraw/zinc/63/26/30/607632630.db2.gz LRVHMBOJZFLVHY-LBPRGKRZSA-N -1 3 366.447 -0.138 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(C[C@H](C)O)CC1 ZINC000826279278 607632629 /nfs/dbraw/zinc/63/26/29/607632629.db2.gz LRVHMBOJZFLVHY-LBPRGKRZSA-N -1 3 366.447 -0.138 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](C)CS(C)(=O)=O ZINC000826279326 607937565 /nfs/dbraw/zinc/93/75/65/607937565.db2.gz MZPGAPMUANWJIK-SECBINFHSA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](C)CS(C)(=O)=O ZINC000826279326 607937564 /nfs/dbraw/zinc/93/75/64/607937564.db2.gz MZPGAPMUANWJIK-SECBINFHSA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)CS(C)(=O)=O ZINC000826279327 607937667 /nfs/dbraw/zinc/93/76/67/607937667.db2.gz MZPGAPMUANWJIK-VIFPVBQESA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)CS(C)(=O)=O ZINC000826279327 607937666 /nfs/dbraw/zinc/93/76/66/607937666.db2.gz MZPGAPMUANWJIK-VIFPVBQESA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000826279458 608001080 /nfs/dbraw/zinc/00/10/80/608001080.db2.gz QOWSJTHLMVTSSE-JTQLQIEISA-N -1 3 372.432 -0.773 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000826279458 608001079 /nfs/dbraw/zinc/00/10/79/608001079.db2.gz QOWSJTHLMVTSSE-JTQLQIEISA-N -1 3 372.432 -0.773 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000826279459 608000924 /nfs/dbraw/zinc/00/09/24/608000924.db2.gz QOWSJTHLMVTSSE-SNVBAGLBSA-N -1 3 372.432 -0.773 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000826279459 608000923 /nfs/dbraw/zinc/00/09/23/608000923.db2.gz QOWSJTHLMVTSSE-SNVBAGLBSA-N -1 3 372.432 -0.773 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCCN(CCO)CC1 ZINC000826279552 607625115 /nfs/dbraw/zinc/62/51/15/607625115.db2.gz UJIZWFRBQRDWML-UHFFFAOYSA-N -1 3 366.447 -0.136 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(CCO)CC1 ZINC000826279569 607580381 /nfs/dbraw/zinc/58/03/81/607580381.db2.gz UXNTTZGZSWXNHQ-UHFFFAOYSA-N -1 3 352.420 -0.526 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(CCO)CC1 ZINC000826279569 607580379 /nfs/dbraw/zinc/58/03/79/607580379.db2.gz UXNTTZGZSWXNHQ-UHFFFAOYSA-N -1 3 352.420 -0.526 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)CC(C)(CO)CO ZINC000826279576 608617886 /nfs/dbraw/zinc/61/78/86/608617886.db2.gz UYWJKVGTHWGZGZ-UHFFFAOYSA-N -1 3 355.420 -0.213 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)CC(C)(CO)CO ZINC000826279576 608617885 /nfs/dbraw/zinc/61/78/85/608617885.db2.gz UYWJKVGTHWGZGZ-UHFFFAOYSA-N -1 3 355.420 -0.213 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(CCCO)CC1 ZINC000826279625 608566884 /nfs/dbraw/zinc/56/68/84/608566884.db2.gz WEEYQXATNNHQJJ-UHFFFAOYSA-N -1 3 366.447 -0.136 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(CCCO)CC1 ZINC000826279625 608566882 /nfs/dbraw/zinc/56/68/82/608566882.db2.gz WEEYQXATNNHQJJ-UHFFFAOYSA-N -1 3 366.447 -0.136 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000826279636 608805401 /nfs/dbraw/zinc/80/54/01/608805401.db2.gz WXCGHCSWMIEDGS-JTQLQIEISA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000826279636 608805399 /nfs/dbraw/zinc/80/53/99/608805399.db2.gz WXCGHCSWMIEDGS-JTQLQIEISA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCOC[C@@H]1C(N)=O ZINC000826279637 608805129 /nfs/dbraw/zinc/80/51/29/608805129.db2.gz WXCGHCSWMIEDGS-SNVBAGLBSA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCOC[C@@H]1C(N)=O ZINC000826279637 608805127 /nfs/dbraw/zinc/80/51/27/608805127.db2.gz WXCGHCSWMIEDGS-SNVBAGLBSA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H]1CN2CCN1CC2 ZINC000826279799 607557091 /nfs/dbraw/zinc/55/70/91/607557091.db2.gz CLVDJTUAQKKDRM-CYBMUJFWSA-N -1 3 363.447 -0.547 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H]1CN2CCN1CC2 ZINC000826279799 607557089 /nfs/dbraw/zinc/55/70/89/607557089.db2.gz CLVDJTUAQKKDRM-CYBMUJFWSA-N -1 3 363.447 -0.547 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H]1CN2CCN1CC2 ZINC000826279800 607557059 /nfs/dbraw/zinc/55/70/59/607557059.db2.gz CLVDJTUAQKKDRM-ZDUSSCGKSA-N -1 3 363.447 -0.547 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H]1CN2CCN1CC2 ZINC000826279800 607557056 /nfs/dbraw/zinc/55/70/56/607557056.db2.gz CLVDJTUAQKKDRM-ZDUSSCGKSA-N -1 3 363.447 -0.547 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000826279970 607647674 /nfs/dbraw/zinc/64/76/74/607647674.db2.gz JSYJRRMJGIQSAD-GFCCVEGCSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000826279970 607647672 /nfs/dbraw/zinc/64/76/72/607647672.db2.gz JSYJRRMJGIQSAD-GFCCVEGCSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H](O)c1cnn(C)c1 ZINC000826279971 607647873 /nfs/dbraw/zinc/64/78/73/607647873.db2.gz JSYJRRMJGIQSAD-LBPRGKRZSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H](O)c1cnn(C)c1 ZINC000826279971 607647871 /nfs/dbraw/zinc/64/78/71/607647871.db2.gz JSYJRRMJGIQSAD-LBPRGKRZSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCC(=O)N1CCOCC1 ZINC000826280074 661109691 /nfs/dbraw/zinc/10/96/91/661109691.db2.gz MTGOEUPVWVXGLM-UHFFFAOYSA-N -1 3 366.403 -0.688 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCC(=O)N1CCOCC1 ZINC000826280074 661109687 /nfs/dbraw/zinc/10/96/87/661109687.db2.gz MTGOEUPVWVXGLM-UHFFFAOYSA-N -1 3 366.403 -0.688 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCNC(=O)N(C)C ZINC000826280148 608565797 /nfs/dbraw/zinc/56/57/97/608565797.db2.gz PIRNAKGDPZWDMX-UHFFFAOYSA-N -1 3 353.408 -0.275 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCNC(=O)N(C)C ZINC000826280148 608565795 /nfs/dbraw/zinc/56/57/95/608565795.db2.gz PIRNAKGDPZWDMX-UHFFFAOYSA-N -1 3 353.408 -0.275 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H](C)S(C)(=O)=O ZINC000826280152 607819489 /nfs/dbraw/zinc/81/94/89/607819489.db2.gz PJOHUDQAPDLNKM-SECBINFHSA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H](C)S(C)(=O)=O ZINC000826280152 607819488 /nfs/dbraw/zinc/81/94/88/607819488.db2.gz PJOHUDQAPDLNKM-SECBINFHSA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H](C)S(C)(=O)=O ZINC000826280153 607819507 /nfs/dbraw/zinc/81/95/07/607819507.db2.gz PJOHUDQAPDLNKM-VIFPVBQESA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H](C)S(C)(=O)=O ZINC000826280153 607819506 /nfs/dbraw/zinc/81/95/06/607819506.db2.gz PJOHUDQAPDLNKM-VIFPVBQESA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCC(=O)NCC1CC1 ZINC000826280258 609334476 /nfs/dbraw/zinc/33/44/76/609334476.db2.gz UPBZGMPJGLGCFE-UHFFFAOYSA-N -1 3 350.404 -0.020 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCC(=O)NCC1CC1 ZINC000826280258 609334474 /nfs/dbraw/zinc/33/44/74/609334474.db2.gz UPBZGMPJGLGCFE-UHFFFAOYSA-N -1 3 350.404 -0.020 20 0 FBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCC1(O)CCOCC1 ZINC000826280355 607629739 /nfs/dbraw/zinc/62/97/39/607629739.db2.gz YNTXBBSXIQXMDY-UHFFFAOYSA-N -1 3 353.404 -0.005 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCC1(O)CCOCC1 ZINC000826280355 607629738 /nfs/dbraw/zinc/62/97/38/607629738.db2.gz YNTXBBSXIQXMDY-UHFFFAOYSA-N -1 3 353.404 -0.005 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)nc1N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000826280753 608540885 /nfs/dbraw/zinc/54/08/85/608540885.db2.gz OEVWTSVRDVPHRP-GFCCVEGCSA-N -1 3 363.447 -0.121 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)nc1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000826280754 608541894 /nfs/dbraw/zinc/54/18/94/608541894.db2.gz OEVWTSVRDVPHRP-LBPRGKRZSA-N -1 3 363.447 -0.121 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000826280889 608542685 /nfs/dbraw/zinc/54/26/85/608542685.db2.gz UTHMUZWFTRUWDY-UHFFFAOYSA-N -1 3 372.433 -0.449 20 0 FBADHM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000826281010 608541534 /nfs/dbraw/zinc/54/15/34/608541534.db2.gz ZKWAKYKHJQBBOV-UHFFFAOYSA-N -1 3 372.433 -0.449 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCc2cncnc2N)c1-c1nn[n-]n1 ZINC000826298801 608361703 /nfs/dbraw/zinc/36/17/03/608361703.db2.gz HMPGHWFKPUZDDP-UHFFFAOYSA-N -1 3 353.346 -0.198 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCc2cncnc2N)c1-c1nnn[n-]1 ZINC000826298801 608361702 /nfs/dbraw/zinc/36/17/02/608361702.db2.gz HMPGHWFKPUZDDP-UHFFFAOYSA-N -1 3 353.346 -0.198 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)C[S@](C)=O)c1-c1nn[n-]n1 ZINC000826298827 608145114 /nfs/dbraw/zinc/14/51/14/608145114.db2.gz IEEHITQHBBAJKR-ITSYKEIMSA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)C[S@](C)=O)c1-c1nnn[n-]1 ZINC000826298827 608145113 /nfs/dbraw/zinc/14/51/13/608145113.db2.gz IEEHITQHBBAJKR-ITSYKEIMSA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)C[S@@](C)=O)c1-c1nn[n-]n1 ZINC000826298828 608145144 /nfs/dbraw/zinc/14/51/44/608145144.db2.gz IEEHITQHBBAJKR-MXUQEVIESA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)C[S@@](C)=O)c1-c1nnn[n-]1 ZINC000826298828 608145143 /nfs/dbraw/zinc/14/51/43/608145143.db2.gz IEEHITQHBBAJKR-MXUQEVIESA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O)c1-c1nn[n-]n1 ZINC000826298829 608145159 /nfs/dbraw/zinc/14/51/59/608145159.db2.gz IEEHITQHBBAJKR-UZKFNYRNSA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O)c1-c1nnn[n-]1 ZINC000826298829 608145158 /nfs/dbraw/zinc/14/51/58/608145158.db2.gz IEEHITQHBBAJKR-UZKFNYRNSA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[S@](C)=O)c1-c1nn[n-]n1 ZINC000826298830 608145168 /nfs/dbraw/zinc/14/51/68/608145168.db2.gz IEEHITQHBBAJKR-VHMAXNEBSA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[S@](C)=O)c1-c1nnn[n-]1 ZINC000826298830 608145167 /nfs/dbraw/zinc/14/51/67/608145167.db2.gz IEEHITQHBBAJKR-VHMAXNEBSA-N -1 3 350.404 -0.003 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826298916 607836941 /nfs/dbraw/zinc/83/69/41/607836941.db2.gz KRUPNLDQDDADLF-SECBINFHSA-N -1 3 366.403 -0.337 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826298916 607836940 /nfs/dbraw/zinc/83/69/40/607836940.db2.gz KRUPNLDQDDADLF-SECBINFHSA-N -1 3 366.403 -0.337 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826298917 607836961 /nfs/dbraw/zinc/83/69/61/607836961.db2.gz KRUPNLDQDDADLF-VIFPVBQESA-N -1 3 366.403 -0.337 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826298917 607836960 /nfs/dbraw/zinc/83/69/60/607836960.db2.gz KRUPNLDQDDADLF-VIFPVBQESA-N -1 3 366.403 -0.337 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826298963 608108526 /nfs/dbraw/zinc/10/85/26/608108526.db2.gz MHWMSDGSHDQERL-SECBINFHSA-N -1 3 358.362 -0.617 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826298963 608108525 /nfs/dbraw/zinc/10/85/25/608108525.db2.gz MHWMSDGSHDQERL-SECBINFHSA-N -1 3 358.362 -0.617 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826298964 608108784 /nfs/dbraw/zinc/10/87/84/608108784.db2.gz MHWMSDGSHDQERL-VIFPVBQESA-N -1 3 358.362 -0.617 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826298964 608108783 /nfs/dbraw/zinc/10/87/83/608108783.db2.gz MHWMSDGSHDQERL-VIFPVBQESA-N -1 3 358.362 -0.617 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCCn2ccnn2)c1-c1nn[n-]n1 ZINC000826298965 608144389 /nfs/dbraw/zinc/14/43/89/608144389.db2.gz MJZPODCAPHUTKW-UHFFFAOYSA-N -1 3 355.362 -0.088 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCCCn2ccnn2)c1-c1nnn[n-]1 ZINC000826298965 608144388 /nfs/dbraw/zinc/14/43/88/608144388.db2.gz MJZPODCAPHUTKW-UHFFFAOYSA-N -1 3 355.362 -0.088 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCC(=O)NCC2CC2)c1-c1nn[n-]n1 ZINC000826298969 609354444 /nfs/dbraw/zinc/35/44/44/609354444.db2.gz MNDHZCOVLUMYJC-UHFFFAOYSA-N -1 3 357.374 -0.244 20 0 FBADHM Cc1cccc(NC(=O)C(=O)NCC(=O)NCC2CC2)c1-c1nnn[n-]1 ZINC000826298969 609354441 /nfs/dbraw/zinc/35/44/41/609354441.db2.gz MNDHZCOVLUMYJC-UHFFFAOYSA-N -1 3 357.374 -0.244 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826299041 608247368 /nfs/dbraw/zinc/24/73/68/608247368.db2.gz OSAOBMZOTGHSJH-LLVKDONJSA-N -1 3 369.385 -0.053 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826299041 608247367 /nfs/dbraw/zinc/24/73/67/608247367.db2.gz OSAOBMZOTGHSJH-LLVKDONJSA-N -1 3 369.385 -0.053 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)c1-c1nn[n-]n1 ZINC000826299042 608247215 /nfs/dbraw/zinc/24/72/15/608247215.db2.gz OSAOBMZOTGHSJH-NSHDSACASA-N -1 3 369.385 -0.053 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)c1-c1nnn[n-]1 ZINC000826299042 608247213 /nfs/dbraw/zinc/24/72/13/608247213.db2.gz OSAOBMZOTGHSJH-NSHDSACASA-N -1 3 369.385 -0.053 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000826299164 607944160 /nfs/dbraw/zinc/94/41/60/607944160.db2.gz UKJGCUAZCNWIOC-GFCCVEGCSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000826299164 607944159 /nfs/dbraw/zinc/94/41/59/607944159.db2.gz UKJGCUAZCNWIOC-GFCCVEGCSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](CO)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000826299165 607944169 /nfs/dbraw/zinc/94/41/69/607944169.db2.gz UKJGCUAZCNWIOC-LBPRGKRZSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1cccc(NC(=O)C(=O)N[C@@H](CO)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000826299165 607944168 /nfs/dbraw/zinc/94/41/68/607944168.db2.gz UKJGCUAZCNWIOC-LBPRGKRZSA-N -1 3 370.373 -0.303 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1-c1nn[n-]n1 ZINC000826300767 607550546 /nfs/dbraw/zinc/55/05/46/607550546.db2.gz GCBGKYAUYXSIQL-NEPJUHHUSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1-c1nnn[n-]1 ZINC000826300767 607550545 /nfs/dbraw/zinc/55/05/45/607550545.db2.gz GCBGKYAUYXSIQL-NEPJUHHUSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1-c1nn[n-]n1 ZINC000826300768 607550586 /nfs/dbraw/zinc/55/05/86/607550586.db2.gz GCBGKYAUYXSIQL-NWDGAFQWSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1-c1nnn[n-]1 ZINC000826300768 607550585 /nfs/dbraw/zinc/55/05/85/607550585.db2.gz GCBGKYAUYXSIQL-NWDGAFQWSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1-c1nn[n-]n1 ZINC000826300769 607550568 /nfs/dbraw/zinc/55/05/68/607550568.db2.gz GCBGKYAUYXSIQL-RYUDHWBXSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1-c1nnn[n-]1 ZINC000826300769 607550567 /nfs/dbraw/zinc/55/05/67/607550567.db2.gz GCBGKYAUYXSIQL-RYUDHWBXSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826300770 607550850 /nfs/dbraw/zinc/55/08/50/607550850.db2.gz GCBGKYAUYXSIQL-VXGBXAGGSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826300770 607550848 /nfs/dbraw/zinc/55/08/48/607550848.db2.gz GCBGKYAUYXSIQL-VXGBXAGGSA-N -1 3 364.431 -0.121 20 0 FBADHM Cc1cccc(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000826300982 607545149 /nfs/dbraw/zinc/54/51/49/607545149.db2.gz NUOIILJNLOFHTA-JTQLQIEISA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cccc(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000826300982 607545147 /nfs/dbraw/zinc/54/51/47/607545147.db2.gz NUOIILJNLOFHTA-JTQLQIEISA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cccc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000826300983 607545442 /nfs/dbraw/zinc/54/54/42/607545442.db2.gz NUOIILJNLOFHTA-SNVBAGLBSA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cccc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000826300983 607545440 /nfs/dbraw/zinc/54/54/40/607545440.db2.gz NUOIILJNLOFHTA-SNVBAGLBSA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cccc(S(=O)(=O)N(C)CCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826301043 607547112 /nfs/dbraw/zinc/54/71/12/607547112.db2.gz PPOBVSIKPQIYIV-UHFFFAOYSA-N -1 3 359.433 -0.160 20 0 FBADHM Cc1cccc(S(=O)(=O)N(C)CCS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826301043 607547110 /nfs/dbraw/zinc/54/71/10/607547110.db2.gz PPOBVSIKPQIYIV-UHFFFAOYSA-N -1 3 359.433 -0.160 20 0 FBADHM Cc1cccc(S(=O)(=O)N(C)CC(C)(CO)CO)c1-c1nn[n-]n1 ZINC000826301065 609565432 /nfs/dbraw/zinc/56/54/32/609565432.db2.gz QAOZEWUESCROPO-UHFFFAOYSA-N -1 3 355.420 -0.213 20 0 FBADHM Cc1cccc(S(=O)(=O)N(C)CC(C)(CO)CO)c1-c1nnn[n-]1 ZINC000826301065 609565430 /nfs/dbraw/zinc/56/54/30/609565430.db2.gz QAOZEWUESCROPO-UHFFFAOYSA-N -1 3 355.420 -0.213 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@H](CO)OC[C@H]2C)c1-c1nn[n-]n1 ZINC000826301237 608247423 /nfs/dbraw/zinc/24/74/23/608247423.db2.gz YBJXSIHBVZECAM-GHMZBOCLSA-N -1 3 353.404 -0.055 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@H](CO)OC[C@H]2C)c1-c1nnn[n-]1 ZINC000826301237 608247421 /nfs/dbraw/zinc/24/74/21/608247421.db2.gz YBJXSIHBVZECAM-GHMZBOCLSA-N -1 3 353.404 -0.055 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@@H](CO)OC[C@H]2C)c1-c1nn[n-]n1 ZINC000826301238 608247558 /nfs/dbraw/zinc/24/75/58/608247558.db2.gz YBJXSIHBVZECAM-MNOVXSKESA-N -1 3 353.404 -0.055 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@@H](CO)OC[C@H]2C)c1-c1nnn[n-]1 ZINC000826301238 608247557 /nfs/dbraw/zinc/24/75/57/608247557.db2.gz YBJXSIHBVZECAM-MNOVXSKESA-N -1 3 353.404 -0.055 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@@H](CO)OC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826301239 608247651 /nfs/dbraw/zinc/24/76/51/608247651.db2.gz YBJXSIHBVZECAM-QWRGUYRKSA-N -1 3 353.404 -0.055 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@@H](CO)OC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826301239 608247649 /nfs/dbraw/zinc/24/76/49/608247649.db2.gz YBJXSIHBVZECAM-QWRGUYRKSA-N -1 3 353.404 -0.055 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@H](CO)OC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826301240 608247472 /nfs/dbraw/zinc/24/74/72/608247472.db2.gz YBJXSIHBVZECAM-WDEREUQCSA-N -1 3 353.404 -0.055 20 0 FBADHM Cc1cccc(S(=O)(=O)N2C[C@H](CO)OC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826301240 608247471 /nfs/dbraw/zinc/24/74/71/608247471.db2.gz YBJXSIHBVZECAM-WDEREUQCSA-N -1 3 353.404 -0.055 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCCN(C(N)=O)CC2)c1-c1nn[n-]n1 ZINC000826301318 607605256 /nfs/dbraw/zinc/60/52/56/607605256.db2.gz AJYJUAYIXWRYLY-UHFFFAOYSA-N -1 3 365.419 -0.050 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCCN(C(N)=O)CC2)c1-c1nnn[n-]1 ZINC000826301318 607605254 /nfs/dbraw/zinc/60/52/54/607605254.db2.gz AJYJUAYIXWRYLY-UHFFFAOYSA-N -1 3 365.419 -0.050 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c1-c1nn[n-]n1 ZINC000826301351 661109645 /nfs/dbraw/zinc/10/96/45/661109645.db2.gz BQRNVQNOGWVVOP-SECBINFHSA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c1-c1nnn[n-]1 ZINC000826301351 661109643 /nfs/dbraw/zinc/10/96/43/661109643.db2.gz BQRNVQNOGWVVOP-SECBINFHSA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c1-c1nn[n-]n1 ZINC000826301352 661109936 /nfs/dbraw/zinc/10/99/36/661109936.db2.gz BQRNVQNOGWVVOP-VIFPVBQESA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c1-c1nnn[n-]1 ZINC000826301352 661109934 /nfs/dbraw/zinc/10/99/34/661109934.db2.gz BQRNVQNOGWVVOP-VIFPVBQESA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CC[C@@H](NC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826301379 608097835 /nfs/dbraw/zinc/09/78/35/608097835.db2.gz CSDMHSPHWPLLAQ-SECBINFHSA-N -1 3 351.392 -0.394 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CC[C@@H](NC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826301379 608097834 /nfs/dbraw/zinc/09/78/34/608097834.db2.gz CSDMHSPHWPLLAQ-SECBINFHSA-N -1 3 351.392 -0.394 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CC[C@H](NC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826301380 608097854 /nfs/dbraw/zinc/09/78/54/608097854.db2.gz CSDMHSPHWPLLAQ-VIFPVBQESA-N -1 3 351.392 -0.394 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CC[C@H](NC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826301380 608097853 /nfs/dbraw/zinc/09/78/53/608097853.db2.gz CSDMHSPHWPLLAQ-VIFPVBQESA-N -1 3 351.392 -0.394 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)c1-c1nn[n-]n1 ZINC000826301383 607546950 /nfs/dbraw/zinc/54/69/50/607546950.db2.gz CSHLIXPYZFMGJF-SECBINFHSA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)c1-c1nnn[n-]1 ZINC000826301383 607546949 /nfs/dbraw/zinc/54/69/49/607546949.db2.gz CSHLIXPYZFMGJF-SECBINFHSA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)c1-c1nn[n-]n1 ZINC000826301384 607546973 /nfs/dbraw/zinc/54/69/73/607546973.db2.gz CSHLIXPYZFMGJF-VIFPVBQESA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)c1-c1nnn[n-]1 ZINC000826301384 607546972 /nfs/dbraw/zinc/54/69/72/607546972.db2.gz CSHLIXPYZFMGJF-VIFPVBQESA-N -1 3 352.376 -0.950 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCCN(CCO)CC2)c1-c1nn[n-]n1 ZINC000826301390 607625073 /nfs/dbraw/zinc/62/50/73/607625073.db2.gz CVJXFMGNBJZWGU-UHFFFAOYSA-N -1 3 366.447 -0.136 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCCN(CCO)CC2)c1-c1nnn[n-]1 ZINC000826301390 607625071 /nfs/dbraw/zinc/62/50/71/607625071.db2.gz CVJXFMGNBJZWGU-UHFFFAOYSA-N -1 3 366.447 -0.136 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCN(CCO)CC2)c1-c1nn[n-]n1 ZINC000826301411 607580618 /nfs/dbraw/zinc/58/06/18/607580618.db2.gz DRGACWDKZVZSLX-UHFFFAOYSA-N -1 3 352.420 -0.526 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCN(CCO)CC2)c1-c1nnn[n-]1 ZINC000826301411 607580617 /nfs/dbraw/zinc/58/06/17/607580617.db2.gz DRGACWDKZVZSLX-UHFFFAOYSA-N -1 3 352.420 -0.526 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCSC[C@@H]2C(N)=O)c1-c1nn[n-]n1 ZINC000826301585 661109798 /nfs/dbraw/zinc/10/97/98/661109798.db2.gz JGSKNPZQPMQPKC-SECBINFHSA-N -1 3 368.444 -0.233 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCSC[C@@H]2C(N)=O)c1-c1nnn[n-]1 ZINC000826301585 661109794 /nfs/dbraw/zinc/10/97/94/661109794.db2.gz JGSKNPZQPMQPKC-SECBINFHSA-N -1 3 368.444 -0.233 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCSC[C@H]2C(N)=O)c1-c1nn[n-]n1 ZINC000826301586 661109617 /nfs/dbraw/zinc/10/96/17/661109617.db2.gz JGSKNPZQPMQPKC-VIFPVBQESA-N -1 3 368.444 -0.233 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCSC[C@H]2C(N)=O)c1-c1nnn[n-]1 ZINC000826301586 661109615 /nfs/dbraw/zinc/10/96/15/661109615.db2.gz JGSKNPZQPMQPKC-VIFPVBQESA-N -1 3 368.444 -0.233 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCCS(=O)(=O)CC2)c1-c1nn[n-]n1 ZINC000826301600 607620490 /nfs/dbraw/zinc/62/04/90/607620490.db2.gz KAEJHGRHRYCQJF-UHFFFAOYSA-N -1 3 371.444 -0.016 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCCS(=O)(=O)CC2)c1-c1nnn[n-]1 ZINC000826301600 607620488 /nfs/dbraw/zinc/62/04/88/607620488.db2.gz KAEJHGRHRYCQJF-UHFFFAOYSA-N -1 3 371.444 -0.016 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826301613 607640270 /nfs/dbraw/zinc/64/02/70/607640270.db2.gz KJTOIABGJHLWFV-JTQLQIEISA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826301613 607640268 /nfs/dbraw/zinc/64/02/68/607640268.db2.gz KJTOIABGJHLWFV-JTQLQIEISA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826301614 607639998 /nfs/dbraw/zinc/63/99/98/607639998.db2.gz KJTOIABGJHLWFV-SNVBAGLBSA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C)c1-c1nnn[n-]1 ZINC000826301614 607639997 /nfs/dbraw/zinc/63/99/97/607639997.db2.gz KJTOIABGJHLWFV-SNVBAGLBSA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826301628 607632772 /nfs/dbraw/zinc/63/27/72/607632772.db2.gz KSRYOWVBPDPOGS-GFCCVEGCSA-N -1 3 366.447 -0.138 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826301628 607632770 /nfs/dbraw/zinc/63/27/70/607632770.db2.gz KSRYOWVBPDPOGS-GFCCVEGCSA-N -1 3 366.447 -0.138 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826301629 607632534 /nfs/dbraw/zinc/63/25/34/607632534.db2.gz KSRYOWVBPDPOGS-LBPRGKRZSA-N -1 3 366.447 -0.138 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826301629 607632532 /nfs/dbraw/zinc/63/25/32/607632532.db2.gz KSRYOWVBPDPOGS-LBPRGKRZSA-N -1 3 366.447 -0.138 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)CC2)c1-c1nn[n-]n1 ZINC000826301704 607607190 /nfs/dbraw/zinc/60/71/90/607607190.db2.gz MZXZAEFCPWPNCN-UHFFFAOYSA-N -1 3 357.417 -0.406 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)CC2)c1-c1nnn[n-]1 ZINC000826301704 607607188 /nfs/dbraw/zinc/60/71/88/607607188.db2.gz MZXZAEFCPWPNCN-UHFFFAOYSA-N -1 3 357.417 -0.406 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826301710 608303198 /nfs/dbraw/zinc/30/31/98/608303198.db2.gz NFJYDAZCPRKSAA-SECBINFHSA-N -1 3 372.432 -0.773 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826301710 608303196 /nfs/dbraw/zinc/30/31/96/608303196.db2.gz NFJYDAZCPRKSAA-SECBINFHSA-N -1 3 372.432 -0.773 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CC[C@H](S(N)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826301711 608302946 /nfs/dbraw/zinc/30/29/46/608302946.db2.gz NFJYDAZCPRKSAA-VIFPVBQESA-N -1 3 372.432 -0.773 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CC[C@H](S(N)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826301711 608302944 /nfs/dbraw/zinc/30/29/44/608302944.db2.gz NFJYDAZCPRKSAA-VIFPVBQESA-N -1 3 372.432 -0.773 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826301713 607620448 /nfs/dbraw/zinc/62/04/48/607620448.db2.gz NQWGHOPBSFYTJX-JTQLQIEISA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826301713 607620446 /nfs/dbraw/zinc/62/04/46/607620446.db2.gz NQWGHOPBSFYTJX-JTQLQIEISA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826301714 607620443 /nfs/dbraw/zinc/62/04/43/607620443.db2.gz NQWGHOPBSFYTJX-SNVBAGLBSA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826301714 607620441 /nfs/dbraw/zinc/62/04/41/607620441.db2.gz NQWGHOPBSFYTJX-SNVBAGLBSA-N -1 3 371.444 -0.017 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)c1-c1nn[n-]n1 ZINC000826301775 607549091 /nfs/dbraw/zinc/54/90/91/607549091.db2.gz PLCDERNQUWVFPM-JTQLQIEISA-N -1 3 363.403 -0.427 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)c1-c1nnn[n-]1 ZINC000826301775 607549090 /nfs/dbraw/zinc/54/90/90/607549090.db2.gz PLCDERNQUWVFPM-JTQLQIEISA-N -1 3 363.403 -0.427 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826301776 607548797 /nfs/dbraw/zinc/54/87/97/607548797.db2.gz PLCDERNQUWVFPM-SNVBAGLBSA-N -1 3 363.403 -0.427 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826301776 607548796 /nfs/dbraw/zinc/54/87/96/607548796.db2.gz PLCDERNQUWVFPM-SNVBAGLBSA-N -1 3 363.403 -0.427 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCC(NC(N)=O)CC2)c1-c1nn[n-]n1 ZINC000826301802 607661404 /nfs/dbraw/zinc/66/14/04/607661404.db2.gz QCADHYWTZVMRCH-UHFFFAOYSA-N -1 3 365.419 -0.003 20 0 FBADHM Cc1cccc(S(=O)(=O)N2CCC(NC(N)=O)CC2)c1-c1nnn[n-]1 ZINC000826301802 607661402 /nfs/dbraw/zinc/66/14/02/607661402.db2.gz QCADHYWTZVMRCH-UHFFFAOYSA-N -1 3 365.419 -0.003 20 0 FBADHM Cc1cccc(S(=O)(=O)N[C@H](C)CS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826302106 607937451 /nfs/dbraw/zinc/93/74/51/607937451.db2.gz AENGWQVEGUQVRD-SECBINFHSA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1cccc(S(=O)(=O)N[C@H](C)CS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826302106 607937450 /nfs/dbraw/zinc/93/74/50/607937450.db2.gz AENGWQVEGUQVRD-SECBINFHSA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1cccc(S(=O)(=O)N[C@@H](C)CS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826302107 607937596 /nfs/dbraw/zinc/93/75/96/607937596.db2.gz AENGWQVEGUQVRD-VIFPVBQESA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1cccc(S(=O)(=O)N[C@@H](C)CS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826302107 607937595 /nfs/dbraw/zinc/93/75/95/607937595.db2.gz AENGWQVEGUQVRD-VIFPVBQESA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1cccc(S(=O)(=O)NCC(=O)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826302169 661109864 /nfs/dbraw/zinc/10/98/64/661109864.db2.gz BWKVNCUIOGVHNQ-UHFFFAOYSA-N -1 3 366.403 -0.688 20 0 FBADHM Cc1cccc(S(=O)(=O)NCC(=O)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826302169 661109861 /nfs/dbraw/zinc/10/98/61/661109861.db2.gz BWKVNCUIOGVHNQ-UHFFFAOYSA-N -1 3 366.403 -0.688 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@@H](O)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000826302381 607647828 /nfs/dbraw/zinc/64/78/28/607647828.db2.gz HZBNYCKEWQRMDT-LLVKDONJSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@@H](O)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000826302381 607647826 /nfs/dbraw/zinc/64/78/26/607647826.db2.gz HZBNYCKEWQRMDT-LLVKDONJSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@H](O)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000826302382 607647741 /nfs/dbraw/zinc/64/77/41/607647741.db2.gz HZBNYCKEWQRMDT-NSHDSACASA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@H](O)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000826302382 607647739 /nfs/dbraw/zinc/64/77/39/607647739.db2.gz HZBNYCKEWQRMDT-NSHDSACASA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1cccc(S(=O)(=O)NCC(=O)NCC2CC2)c1-c1nn[n-]n1 ZINC000826302600 609334482 /nfs/dbraw/zinc/33/44/82/609334482.db2.gz NSHSIGQVFPEOSV-UHFFFAOYSA-N -1 3 350.404 -0.020 20 0 FBADHM Cc1cccc(S(=O)(=O)NCC(=O)NCC2CC2)c1-c1nnn[n-]1 ZINC000826302600 609334480 /nfs/dbraw/zinc/33/44/80/609334480.db2.gz NSHSIGQVFPEOSV-UHFFFAOYSA-N -1 3 350.404 -0.020 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826302615 607819504 /nfs/dbraw/zinc/81/95/04/607819504.db2.gz OBJNHJKPZCUWII-SECBINFHSA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826302615 607819503 /nfs/dbraw/zinc/81/95/03/607819503.db2.gz OBJNHJKPZCUWII-SECBINFHSA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826302616 607819626 /nfs/dbraw/zinc/81/96/26/607819626.db2.gz OBJNHJKPZCUWII-VIFPVBQESA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826302616 607819625 /nfs/dbraw/zinc/81/96/25/607819625.db2.gz OBJNHJKPZCUWII-VIFPVBQESA-N -1 3 359.433 -0.113 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1-c1nn[n-]n1 ZINC000826302723 607672257 /nfs/dbraw/zinc/67/22/57/607672257.db2.gz QYFZUFJYJLNDGV-NXEZZACHSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1-c1nnn[n-]1 ZINC000826302723 607672256 /nfs/dbraw/zinc/67/22/56/607672256.db2.gz QYFZUFJYJLNDGV-NXEZZACHSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1-c1nn[n-]n1 ZINC000826302724 607672547 /nfs/dbraw/zinc/67/25/47/607672547.db2.gz QYFZUFJYJLNDGV-UWVGGRQHSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1-c1nnn[n-]1 ZINC000826302724 607672545 /nfs/dbraw/zinc/67/25/45/607672545.db2.gz QYFZUFJYJLNDGV-UWVGGRQHSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1-c1nn[n-]n1 ZINC000826302725 607672647 /nfs/dbraw/zinc/67/26/47/607672647.db2.gz QYFZUFJYJLNDGV-VHSXEESVSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1-c1nnn[n-]1 ZINC000826302725 607672645 /nfs/dbraw/zinc/67/26/45/607672645.db2.gz QYFZUFJYJLNDGV-VHSXEESVSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1-c1nn[n-]n1 ZINC000826302726 607672300 /nfs/dbraw/zinc/67/23/00/607672300.db2.gz QYFZUFJYJLNDGV-ZJUUUORDSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1-c1nnn[n-]1 ZINC000826302726 607672298 /nfs/dbraw/zinc/67/22/98/607672298.db2.gz QYFZUFJYJLNDGV-ZJUUUORDSA-N -1 3 366.403 -0.514 20 0 FBADHM Cc1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000826302932 607572031 /nfs/dbraw/zinc/57/20/31/607572031.db2.gz WSAPNIFLOXVLNM-SECBINFHSA-N -1 3 357.417 -0.359 20 0 FBADHM Cc1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000826302932 607572030 /nfs/dbraw/zinc/57/20/30/607572030.db2.gz WSAPNIFLOXVLNM-SECBINFHSA-N -1 3 357.417 -0.359 20 0 FBADHM Cc1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000826302933 607572293 /nfs/dbraw/zinc/57/22/93/607572293.db2.gz WSAPNIFLOXVLNM-VIFPVBQESA-N -1 3 357.417 -0.359 20 0 FBADHM Cc1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000826302933 607572291 /nfs/dbraw/zinc/57/22/91/607572291.db2.gz WSAPNIFLOXVLNM-VIFPVBQESA-N -1 3 357.417 -0.359 20 0 FBADHM Cc1cccc(S(=O)(=O)NCC2(O)CCOCC2)c1-c1nn[n-]n1 ZINC000826302989 607629730 /nfs/dbraw/zinc/62/97/30/607629730.db2.gz XPKKQTYJNUVURW-UHFFFAOYSA-N -1 3 353.404 -0.005 20 0 FBADHM Cc1cccc(S(=O)(=O)NCC2(O)CCOCC2)c1-c1nnn[n-]1 ZINC000826302989 607629729 /nfs/dbraw/zinc/62/97/29/607629729.db2.gz XPKKQTYJNUVURW-UHFFFAOYSA-N -1 3 353.404 -0.005 20 0 FBADHM Cc1cccc(S(=O)(=O)N[C@H](CO)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000826303033 607938278 /nfs/dbraw/zinc/93/82/78/607938278.db2.gz YJMUROAYDBJTJD-LLVKDONJSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1cccc(S(=O)(=O)N[C@H](CO)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000826303033 607938277 /nfs/dbraw/zinc/93/82/77/607938277.db2.gz YJMUROAYDBJTJD-LLVKDONJSA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1cccc(S(=O)(=O)N[C@@H](CO)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000826303034 607938133 /nfs/dbraw/zinc/93/81/33/607938133.db2.gz YJMUROAYDBJTJD-NSHDSACASA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1cccc(S(=O)(=O)N[C@@H](CO)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000826303034 607938132 /nfs/dbraw/zinc/93/81/32/607938132.db2.gz YJMUROAYDBJTJD-NSHDSACASA-N -1 3 363.403 -0.079 20 0 FBADHM Cc1cccc(S(=O)(=O)NC2(C(N)=O)CCOCC2)c1-c1nn[n-]n1 ZINC000826303035 607676602 /nfs/dbraw/zinc/67/66/02/607676602.db2.gz YKXXZXPZXNXLDN-UHFFFAOYSA-N -1 3 366.403 -0.512 20 0 FBADHM Cc1cccc(S(=O)(=O)NC2(C(N)=O)CCOCC2)c1-c1nnn[n-]1 ZINC000826303035 607676600 /nfs/dbraw/zinc/67/66/00/607676600.db2.gz YKXXZXPZXNXLDN-UHFFFAOYSA-N -1 3 366.403 -0.512 20 0 FBADHM Cc1cccc(S(=O)(=O)NC2CCN(CCO)CC2)c1-c1nnn[n-]1 ZINC000826303075 607633983 /nfs/dbraw/zinc/63/39/83/607633983.db2.gz ZMPREWLMXANUCJ-UHFFFAOYSA-N -1 3 366.447 -0.090 20 0 FBADHM Cc1cccc(S(=O)(=O)NCCNC(=O)C2CC2)c1-c1nn[n-]n1 ZINC000826303201 607579280 /nfs/dbraw/zinc/57/92/80/607579280.db2.gz DWGFYNHIIBIMIZ-UHFFFAOYSA-N -1 3 350.404 -0.020 20 0 FBADHM Cc1cccc(S(=O)(=O)NCCNC(=O)C2CC2)c1-c1nnn[n-]1 ZINC000826303201 607579278 /nfs/dbraw/zinc/57/92/78/607579278.db2.gz DWGFYNHIIBIMIZ-UHFFFAOYSA-N -1 3 350.404 -0.020 20 0 FBADHM Cc1cccc(S(=O)(=O)NCCCNS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826303237 607583882 /nfs/dbraw/zinc/58/38/82/607583882.db2.gz GPMZUHUKLVBIBK-UHFFFAOYSA-N -1 3 374.448 -0.607 20 0 FBADHM Cc1cccc(S(=O)(=O)NCCCNS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826303237 607583880 /nfs/dbraw/zinc/58/38/80/607583880.db2.gz GPMZUHUKLVBIBK-UHFFFAOYSA-N -1 3 374.448 -0.607 20 0 FBADHM Cc1cccc(S(=O)(=O)NCCNC(=O)N(C)C)c1-c1nn[n-]n1 ZINC000826303311 661110043 /nfs/dbraw/zinc/11/00/43/661110043.db2.gz JTDJEJUIZUCJLI-UHFFFAOYSA-N -1 3 353.408 -0.275 20 0 FBADHM 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/nfs/dbraw/zinc/60/23/21/607602321.db2.gz TUOSDAQBZZBYMC-NSHDSACASA-N -1 3 352.420 -0.216 20 0 FBADHM Cc1cccc(S(=O)(=O)NCCN2C(=O)CCC2=O)c1-c1nn[n-]n1 ZINC000826303527 607615461 /nfs/dbraw/zinc/61/54/61/607615461.db2.gz TXIKCJJJEJWGDR-UHFFFAOYSA-N -1 3 364.387 -0.398 20 0 FBADHM Cc1cccc(S(=O)(=O)NCCN2C(=O)CCC2=O)c1-c1nnn[n-]1 ZINC000826303527 607615460 /nfs/dbraw/zinc/61/54/60/607615460.db2.gz TXIKCJJJEJWGDR-UHFFFAOYSA-N -1 3 364.387 -0.398 20 0 FBADHM Cc1cccc(S(=O)(=O)NCCN2C(=O)CNC2=O)c1-c1nn[n-]n1 ZINC000826303569 607615435 /nfs/dbraw/zinc/61/54/35/607615435.db2.gz VNSOAFIIQPHHMJ-UHFFFAOYSA-N -1 3 365.375 -0.995 20 0 FBADHM Cc1cccc(S(=O)(=O)NCCN2C(=O)CNC2=O)c1-c1nnn[n-]1 ZINC000826303569 607615434 /nfs/dbraw/zinc/61/54/34/607615434.db2.gz VNSOAFIIQPHHMJ-UHFFFAOYSA-N -1 3 365.375 -0.995 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000826303646 607584126 /nfs/dbraw/zinc/58/41/26/607584126.db2.gz YFFDPSZWRPSWIL-JTQLQIEISA-N -1 3 371.444 -0.112 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000826303646 607584125 /nfs/dbraw/zinc/58/41/25/607584125.db2.gz YFFDPSZWRPSWIL-JTQLQIEISA-N -1 3 371.444 -0.112 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000826303647 607584063 /nfs/dbraw/zinc/58/40/63/607584063.db2.gz YFFDPSZWRPSWIL-SNVBAGLBSA-N -1 3 371.444 -0.112 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000826303647 607584062 /nfs/dbraw/zinc/58/40/62/607584062.db2.gz YFFDPSZWRPSWIL-SNVBAGLBSA-N -1 3 371.444 -0.112 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)c1-c1nn[n-]n1 ZINC000826303649 607613514 /nfs/dbraw/zinc/61/35/14/607613514.db2.gz YNKNJYWSGJORMW-GFCCVEGCSA-N -1 3 365.463 -0.301 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)c1-c1nnn[n-]1 ZINC000826303649 607613513 /nfs/dbraw/zinc/61/35/13/607613513.db2.gz YNKNJYWSGJORMW-GFCCVEGCSA-N -1 3 365.463 -0.301 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)c1-c1nn[n-]n1 ZINC000826303650 607613588 /nfs/dbraw/zinc/61/35/88/607613588.db2.gz YNKNJYWSGJORMW-LBPRGKRZSA-N -1 3 365.463 -0.301 20 0 FBADHM Cc1cccc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)c1-c1nnn[n-]1 ZINC000826303650 607613587 /nfs/dbraw/zinc/61/35/87/607613587.db2.gz YNKNJYWSGJORMW-LBPRGKRZSA-N -1 3 365.463 -0.301 20 0 FBADHM Cc1cccc(S(=O)(=O)NCc2cc(C(N)=O)no2)c1-c1nn[n-]n1 ZINC000826303655 607743093 /nfs/dbraw/zinc/74/30/93/607743093.db2.gz YRMFMLCJRPLQQV-UHFFFAOYSA-N -1 3 363.359 -0.259 20 0 FBADHM Cc1cccc(S(=O)(=O)NCc2cc(C(N)=O)no2)c1-c1nnn[n-]1 ZINC000826303655 607743092 /nfs/dbraw/zinc/74/30/92/607743092.db2.gz YRMFMLCJRPLQQV-UHFFFAOYSA-N -1 3 363.359 -0.259 20 0 FBADHM Cc1cccc(S(=O)(=O)NCCCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826303687 607594890 /nfs/dbraw/zinc/59/48/90/607594890.db2.gz ZXFDSAWBGVYBFR-UHFFFAOYSA-N -1 3 359.433 -0.112 20 0 FBADHM Cc1cccc(S(=O)(=O)NCCCS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826303687 607594888 /nfs/dbraw/zinc/59/48/88/607594888.db2.gz ZXFDSAWBGVYBFR-UHFFFAOYSA-N -1 3 359.433 -0.112 20 0 FBADHM 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/nfs/dbraw/zinc/54/72/00/609547200.db2.gz NFZDLKUQBFMPEP-JTQLQIEISA-N -1 3 352.424 -0.420 20 0 FBADHM Cc1ccnc(N2CCC[C@H](CNS(N)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826310164 609547227 /nfs/dbraw/zinc/54/72/27/609547227.db2.gz NFZDLKUQBFMPEP-SNVBAGLBSA-N -1 3 352.424 -0.420 20 0 FBADHM Cc1ccnc(N2CCC[C@H](CNS(N)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826310164 609547226 /nfs/dbraw/zinc/54/72/26/609547226.db2.gz NFZDLKUQBFMPEP-SNVBAGLBSA-N -1 3 352.424 -0.420 20 0 FBADHM Cc1ccnc(N2CCN(C(=O)CN3CCOCC3)CC2)c1-c1nn[n-]n1 ZINC000826310682 609527406 /nfs/dbraw/zinc/52/74/06/609527406.db2.gz FBHQTUSNXPOOPN-UHFFFAOYSA-N -1 3 372.433 -0.449 20 0 FBADHM Cc1ccnc(N2CCN(C(=O)CN3CCOCC3)CC2)c1-c1nnn[n-]1 ZINC000826310682 609527404 /nfs/dbraw/zinc/52/74/04/609527404.db2.gz FBHQTUSNXPOOPN-UHFFFAOYSA-N -1 3 372.433 -0.449 20 0 FBADHM Cc1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)c1-c1nn[n-]n1 ZINC000826310759 609523117 /nfs/dbraw/zinc/52/31/17/609523117.db2.gz HLBJNPZSVDGLFA-UHFFFAOYSA-N -1 3 372.433 -0.449 20 0 FBADHM 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/nfs/dbraw/zinc/96/01/39/607960139.db2.gz MIEPRIJDXWNKJT-CYBMUJFWSA-N -1 3 354.326 -0.051 20 0 FBADHM Cn1c(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cccc1=O ZINC000826355149 607960138 /nfs/dbraw/zinc/96/01/38/607960138.db2.gz MIEPRIJDXWNKJT-CYBMUJFWSA-N -1 3 354.326 -0.051 20 0 FBADHM Cn1c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cccc1=O ZINC000826355150 607960124 /nfs/dbraw/zinc/96/01/24/607960124.db2.gz MIEPRIJDXWNKJT-ZDUSSCGKSA-N -1 3 354.326 -0.051 20 0 FBADHM Cn1c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cccc1=O ZINC000826355150 607960123 /nfs/dbraw/zinc/96/01/23/607960123.db2.gz MIEPRIJDXWNKJT-ZDUSSCGKSA-N -1 3 354.326 -0.051 20 0 FBADHM Cn1c(=O)cc(COC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)n(C)c1=O ZINC000826355213 609629786 /nfs/dbraw/zinc/62/97/86/609629786.db2.gz PAXBVJGCFHKJRZ-CYBMUJFWSA-N -1 3 372.341 -0.959 20 0 FBADHM Cn1c(=O)cc(COC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)n(C)c1=O ZINC000826355213 609629785 /nfs/dbraw/zinc/62/97/85/609629785.db2.gz PAXBVJGCFHKJRZ-CYBMUJFWSA-N -1 3 372.341 -0.959 20 0 FBADHM Cn1c(=O)cc(COC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)n(C)c1=O ZINC000826355214 609629774 /nfs/dbraw/zinc/62/97/74/609629774.db2.gz PAXBVJGCFHKJRZ-ZDUSSCGKSA-N -1 3 372.341 -0.959 20 0 FBADHM Cn1c(=O)cc(COC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)n(C)c1=O ZINC000826355214 609629773 /nfs/dbraw/zinc/62/97/73/609629773.db2.gz PAXBVJGCFHKJRZ-ZDUSSCGKSA-N -1 3 372.341 -0.959 20 0 FBADHM CN1C(=S)N=NC1CCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826356006 609224475 /nfs/dbraw/zinc/22/44/75/609224475.db2.gz WVBITSSWPVZZSP-LLVKDONJSA-N -1 3 360.403 -0.324 20 0 FBADHM CN1C(=S)N=NC1CCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826356006 609224473 /nfs/dbraw/zinc/22/44/73/609224473.db2.gz WVBITSSWPVZZSP-LLVKDONJSA-N -1 3 360.403 -0.324 20 0 FBADHM CN1C(=S)N=NC1CCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826356007 609224327 /nfs/dbraw/zinc/22/43/27/609224327.db2.gz WVBITSSWPVZZSP-NSHDSACASA-N -1 3 360.403 -0.324 20 0 FBADHM CN1C(=S)N=NC1CCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826356007 609224325 /nfs/dbraw/zinc/22/43/25/609224325.db2.gz WVBITSSWPVZZSP-NSHDSACASA-N -1 3 360.403 -0.324 20 0 FBADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2CN2CCOCC2)n1 ZINC000826356901 608007922 /nfs/dbraw/zinc/00/79/22/608007922.db2.gz KGACDFVLWXNBEQ-LLVKDONJSA-N -1 3 361.410 -0.071 20 0 FBADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2CN2CCOCC2)n1 ZINC000826356902 608008312 /nfs/dbraw/zinc/00/83/12/608008312.db2.gz KGACDFVLWXNBEQ-NSHDSACASA-N -1 3 361.410 -0.071 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000826357461 607796045 /nfs/dbraw/zinc/79/60/45/607796045.db2.gz GLIOUVPQBIKATI-SNVBAGLBSA-N -1 3 353.408 -0.641 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000826357461 607796044 /nfs/dbraw/zinc/79/60/44/607796044.db2.gz GLIOUVPQBIKATI-SNVBAGLBSA-N -1 3 353.408 -0.641 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000826357675 607794924 /nfs/dbraw/zinc/79/49/24/607794924.db2.gz NQGIQPQSZRJZBX-SECBINFHSA-N -1 3 353.408 -0.784 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000826357675 607794923 /nfs/dbraw/zinc/79/49/23/607794923.db2.gz NQGIQPQSZRJZBX-SECBINFHSA-N -1 3 353.408 -0.784 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000826357676 607794951 /nfs/dbraw/zinc/79/49/51/607794951.db2.gz NQGIQPQSZRJZBX-VIFPVBQESA-N -1 3 353.408 -0.784 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000826357676 607794950 /nfs/dbraw/zinc/79/49/50/607794950.db2.gz NQGIQPQSZRJZBX-VIFPVBQESA-N -1 3 353.408 -0.784 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826358394 608252433 /nfs/dbraw/zinc/25/24/33/608252433.db2.gz RVLLIZPLNJIAEV-CYBMUJFWSA-N -1 3 360.374 -0.001 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826358394 608252431 /nfs/dbraw/zinc/25/24/31/608252431.db2.gz RVLLIZPLNJIAEV-CYBMUJFWSA-N -1 3 360.374 -0.001 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826358395 608252703 /nfs/dbraw/zinc/25/27/03/608252703.db2.gz RVLLIZPLNJIAEV-ZDUSSCGKSA-N -1 3 360.374 -0.001 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826358395 608252701 /nfs/dbraw/zinc/25/27/01/608252701.db2.gz RVLLIZPLNJIAEV-ZDUSSCGKSA-N -1 3 360.374 -0.001 20 0 FBADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NCC(=O)OC(C)(C)C ZINC000826358484 608147080 /nfs/dbraw/zinc/14/70/80/608147080.db2.gz WDMXREVIBOPBFA-UHFFFAOYSA-N -1 3 364.362 -0.180 20 0 FBADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NCC(=O)OC(C)(C)C ZINC000826358484 608147079 /nfs/dbraw/zinc/14/70/79/608147079.db2.gz WDMXREVIBOPBFA-UHFFFAOYSA-N -1 3 364.362 -0.180 20 0 FBADHM Cn1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(=O)n(C)c1=O ZINC000826358846 607948109 /nfs/dbraw/zinc/94/81/09/607948109.db2.gz LBBYGSXHKXOMTH-UHFFFAOYSA-N -1 3 353.342 -0.533 20 0 FBADHM Cn1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(=O)n(C)c1=O ZINC000826358846 607948108 /nfs/dbraw/zinc/94/81/08/607948108.db2.gz LBBYGSXHKXOMTH-UHFFFAOYSA-N -1 3 353.342 -0.533 20 0 FBADHM Cn1cc([C@@H](CO)NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826358875 609407556 /nfs/dbraw/zinc/40/75/56/609407556.db2.gz MDQIMBGYMOEETG-CYBMUJFWSA-N -1 3 370.373 -0.820 20 0 FBADHM Cn1cc([C@@H](CO)NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826358875 609407555 /nfs/dbraw/zinc/40/75/55/609407555.db2.gz MDQIMBGYMOEETG-CYBMUJFWSA-N -1 3 370.373 -0.820 20 0 FBADHM Cn1cc([C@H](CO)NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826358876 609407087 /nfs/dbraw/zinc/40/70/87/609407087.db2.gz MDQIMBGYMOEETG-ZDUSSCGKSA-N -1 3 370.373 -0.820 20 0 FBADHM Cn1cc([C@H](CO)NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826358876 609407085 /nfs/dbraw/zinc/40/70/85/609407085.db2.gz MDQIMBGYMOEETG-ZDUSSCGKSA-N -1 3 370.373 -0.820 20 0 FBADHM Cn1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(=O)n(C)c1=O ZINC000826358899 607417823 /nfs/dbraw/zinc/41/78/23/607417823.db2.gz MZCQQKOEQRLQJU-UHFFFAOYSA-N -1 3 367.369 -0.317 20 0 FBADHM Cn1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(=O)n(C)c1=O ZINC000826358899 607417820 /nfs/dbraw/zinc/41/78/20/607417820.db2.gz MZCQQKOEQRLQJU-UHFFFAOYSA-N -1 3 367.369 -0.317 20 0 FBADHM Cn1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(=O)n(C)c1=O ZINC000826358909 608448044 /nfs/dbraw/zinc/44/80/44/608448044.db2.gz NMIDLKXBUCHBJZ-UHFFFAOYSA-N -1 3 360.305 -0.240 20 0 FBADHM Cn1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(=O)n(C)c1=O ZINC000826358909 608448042 /nfs/dbraw/zinc/44/80/42/608448042.db2.gz NMIDLKXBUCHBJZ-UHFFFAOYSA-N -1 3 360.305 -0.240 20 0 FBADHM Cn1cc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c(=O)n(C)c1=O ZINC000826358935 607373276 /nfs/dbraw/zinc/37/32/76/607373276.db2.gz OJISUKVGBYESOO-UHFFFAOYSA-N -1 3 370.325 -0.696 20 0 FBADHM Cn1cc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c(=O)n(C)c1=O ZINC000826358935 607373274 /nfs/dbraw/zinc/37/32/74/607373274.db2.gz OJISUKVGBYESOO-UHFFFAOYSA-N -1 3 370.325 -0.696 20 0 FBADHM Cn1cc([C@@H](CO)NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000826358969 607957563 /nfs/dbraw/zinc/95/75/63/607957563.db2.gz QEHBNCOFMIDBDI-GFCCVEGCSA-N -1 3 372.393 -0.560 20 0 FBADHM Cn1cc([C@@H](CO)NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000826358969 607957562 /nfs/dbraw/zinc/95/75/62/607957562.db2.gz QEHBNCOFMIDBDI-GFCCVEGCSA-N -1 3 372.393 -0.560 20 0 FBADHM Cn1cc([C@H](CO)NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000826358970 607957823 /nfs/dbraw/zinc/95/78/23/607957823.db2.gz QEHBNCOFMIDBDI-LBPRGKRZSA-N -1 3 372.393 -0.560 20 0 FBADHM Cn1cc([C@H](CO)NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000826358970 607957822 /nfs/dbraw/zinc/95/78/22/607957822.db2.gz QEHBNCOFMIDBDI-LBPRGKRZSA-N -1 3 372.393 -0.560 20 0 FBADHM Cn1cc([C@@H](CO)NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000826358996 607938529 /nfs/dbraw/zinc/93/85/29/607938529.db2.gz QYYAWAXZLFKQIG-LLVKDONJSA-N -1 3 367.366 -0.249 20 0 FBADHM Cn1cc([C@H](CO)NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000826358997 607938354 /nfs/dbraw/zinc/93/83/54/607938354.db2.gz QYYAWAXZLFKQIG-NSHDSACASA-N -1 3 367.366 -0.249 20 0 FBADHM Cn1cc([C@@H](CO)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000826359022 607938497 /nfs/dbraw/zinc/93/84/97/607938497.db2.gz SDJKPCHFHNTOCN-GFCCVEGCSA-N -1 3 367.366 -0.249 20 0 FBADHM Cn1cc([C@@H](CO)NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000826359022 607938496 /nfs/dbraw/zinc/93/84/96/607938496.db2.gz SDJKPCHFHNTOCN-GFCCVEGCSA-N -1 3 367.366 -0.249 20 0 FBADHM Cn1cc([C@H](CO)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000826359023 607938419 /nfs/dbraw/zinc/93/84/19/607938419.db2.gz SDJKPCHFHNTOCN-LBPRGKRZSA-N -1 3 367.366 -0.249 20 0 FBADHM Cn1cc([C@H](CO)NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000826359023 607938418 /nfs/dbraw/zinc/93/84/18/607938418.db2.gz SDJKPCHFHNTOCN-LBPRGKRZSA-N -1 3 367.366 -0.249 20 0 FBADHM Cn1cc([C@@H](CO)NC(=O)NCCNc2ncccc2-c2nn[n-]n2)cn1 ZINC000826359037 607957636 /nfs/dbraw/zinc/95/76/36/607957636.db2.gz SREMROJLBLSEJR-GFCCVEGCSA-N -1 3 372.393 -0.560 20 0 FBADHM Cn1cc([C@@H](CO)NC(=O)NCCNc2ncccc2-c2nnn[n-]2)cn1 ZINC000826359037 607957635 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FBADHM Cn1cc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c(=O)n(C)c1=O ZINC000826359194 607373387 /nfs/dbraw/zinc/37/33/87/607373387.db2.gz ZPRKPCOLYSASAW-UHFFFAOYSA-N -1 3 370.325 -0.696 20 0 FBADHM Cn1cc([C@H](O)CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826359763 607647607 /nfs/dbraw/zinc/64/76/07/607647607.db2.gz PRUXBAPPJHQPOJ-CYBMUJFWSA-N -1 3 363.403 -0.247 20 0 FBADHM Cn1cc([C@H](O)CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826359763 607647605 /nfs/dbraw/zinc/64/76/05/607647605.db2.gz PRUXBAPPJHQPOJ-CYBMUJFWSA-N -1 3 363.403 -0.247 20 0 FBADHM Cn1cc([C@@H](O)CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826359764 607647512 /nfs/dbraw/zinc/64/75/12/607647512.db2.gz PRUXBAPPJHQPOJ-ZDUSSCGKSA-N -1 3 363.403 -0.247 20 0 FBADHM Cn1cc([C@@H](O)CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826359764 607647510 /nfs/dbraw/zinc/64/75/10/607647510.db2.gz PRUXBAPPJHQPOJ-ZDUSSCGKSA-N -1 3 363.403 -0.247 20 0 FBADHM Cn1cc([C@H](O)CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000826359953 607647656 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FBADHM NC(=O)Cn1cc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)nn1 ZINC000826392228 609614849 /nfs/dbraw/zinc/61/48/49/609614849.db2.gz RATRRXDOUXYZIJ-UHFFFAOYSA-N -1 3 362.737 -0.046 20 0 FBADHM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826392233 609563761 /nfs/dbraw/zinc/56/37/61/609563761.db2.gz RFLZKXXLHCGPME-MRVPVSSYSA-N -1 3 371.810 -0.049 20 0 FBADHM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826392233 609563759 /nfs/dbraw/zinc/56/37/59/609563759.db2.gz RFLZKXXLHCGPME-MRVPVSSYSA-N -1 3 371.810 -0.049 20 0 FBADHM NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826392234 609563370 /nfs/dbraw/zinc/56/33/70/609563370.db2.gz RFLZKXXLHCGPME-QMMMGPOBSA-N -1 3 371.810 -0.049 20 0 FBADHM NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826392234 609563368 /nfs/dbraw/zinc/56/33/68/609563368.db2.gz RFLZKXXLHCGPME-QMMMGPOBSA-N -1 3 371.810 -0.049 20 0 FBADHM NC(=O)N[C@H](CO)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826392239 608485472 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FBADHM NC(=O)NC(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826392325 609556337 /nfs/dbraw/zinc/55/63/37/609556337.db2.gz URLYVCIBWBPBBQ-UHFFFAOYSA-N -1 3 373.782 -0.617 20 0 FBADHM NC(=O)NC(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826392325 609556335 /nfs/dbraw/zinc/55/63/35/609556335.db2.gz URLYVCIBWBPBBQ-UHFFFAOYSA-N -1 3 373.782 -0.617 20 0 FBADHM NC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826392367 608107871 /nfs/dbraw/zinc/10/78/71/608107871.db2.gz VSRWOVBLPAZFKI-MRVPVSSYSA-N -1 3 362.325 -0.787 20 0 FBADHM NC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826392367 608107870 /nfs/dbraw/zinc/10/78/70/608107870.db2.gz VSRWOVBLPAZFKI-MRVPVSSYSA-N -1 3 362.325 -0.787 20 0 FBADHM NC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826392368 608107855 /nfs/dbraw/zinc/10/78/55/608107855.db2.gz VSRWOVBLPAZFKI-QMMMGPOBSA-N -1 3 362.325 -0.787 20 0 FBADHM NC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826392368 608107854 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FBADHM NC(=O)NC1(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000826392401 608393929 /nfs/dbraw/zinc/39/39/29/608393929.db2.gz XCYQMBODFYYBHI-UHFFFAOYSA-N -1 3 370.417 -0.288 20 0 FBADHM NC(=O)NC[C@H]1CCCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826392419 609219788 /nfs/dbraw/zinc/21/97/88/609219788.db2.gz XSLUJTKWXBMOTO-CHWSQXEVSA-N -1 3 359.390 -0.051 20 0 FBADHM NC(=O)NC[C@H]1CCCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826392419 609219786 /nfs/dbraw/zinc/21/97/86/609219786.db2.gz XSLUJTKWXBMOTO-CHWSQXEVSA-N -1 3 359.390 -0.051 20 0 FBADHM NC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826392420 609219594 /nfs/dbraw/zinc/21/95/94/609219594.db2.gz XSLUJTKWXBMOTO-OLZOCXBDSA-N -1 3 359.390 -0.051 20 0 FBADHM NC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826392420 609219592 /nfs/dbraw/zinc/21/95/92/609219592.db2.gz XSLUJTKWXBMOTO-OLZOCXBDSA-N -1 3 359.390 -0.051 20 0 FBADHM NC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826392421 609219848 /nfs/dbraw/zinc/21/98/48/609219848.db2.gz XSLUJTKWXBMOTO-QWHCGFSZSA-N -1 3 359.390 -0.051 20 0 FBADHM NC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826392421 609219846 /nfs/dbraw/zinc/21/98/46/609219846.db2.gz XSLUJTKWXBMOTO-QWHCGFSZSA-N -1 3 359.390 -0.051 20 0 FBADHM NC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826392422 609219424 /nfs/dbraw/zinc/21/94/24/609219424.db2.gz XSLUJTKWXBMOTO-STQMWFEESA-N -1 3 359.390 -0.051 20 0 FBADHM NC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826392422 609219421 /nfs/dbraw/zinc/21/94/21/609219421.db2.gz XSLUJTKWXBMOTO-STQMWFEESA-N -1 3 359.390 -0.051 20 0 FBADHM NC(=O)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826392451 607669275 /nfs/dbraw/zinc/66/92/75/607669275.db2.gz YOKFWVAZTQCSSY-UHFFFAOYSA-N -1 3 373.782 -0.617 20 0 FBADHM NC(=O)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826392451 607669274 /nfs/dbraw/zinc/66/92/74/607669274.db2.gz YOKFWVAZTQCSSY-UHFFFAOYSA-N -1 3 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20 0 FBADHM NC(=O)c1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)o1 ZINC000826392742 607578255 /nfs/dbraw/zinc/57/82/55/607578255.db2.gz LRSIPRONMPAKRW-UHFFFAOYSA-N -1 3 368.357 -0.084 20 0 FBADHM NC(=O)OCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826392816 609295564 /nfs/dbraw/zinc/29/55/64/609295564.db2.gz ODPALCGAQSLHPU-UHFFFAOYSA-N -1 3 357.334 -0.126 20 0 FBADHM NC(=O)OCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826392816 609295563 /nfs/dbraw/zinc/29/55/63/609295563.db2.gz ODPALCGAQSLHPU-UHFFFAOYSA-N -1 3 357.334 -0.126 20 0 FBADHM NC(=O)c1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000826392983 607961948 /nfs/dbraw/zinc/96/19/48/607961948.db2.gz WIZYTQBCYVJXSK-UHFFFAOYSA-N -1 3 355.318 -0.943 20 0 FBADHM NC(=O)c1cc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n[nH]1 ZINC000826392983 607961947 /nfs/dbraw/zinc/96/19/47/607961947.db2.gz WIZYTQBCYVJXSK-UHFFFAOYSA-N -1 3 355.318 -0.943 20 0 FBADHM NC(=O)c1cc(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)on1 ZINC000826393032 607757252 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NC(=O)c1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826393165 609396154 /nfs/dbraw/zinc/39/61/54/609396154.db2.gz FOLJWYJIIJUEMV-GFCCVEGCSA-N -1 3 367.325 -0.256 20 0 FBADHM NC(=O)c1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826393165 609396152 /nfs/dbraw/zinc/39/61/52/609396152.db2.gz FOLJWYJIIJUEMV-GFCCVEGCSA-N -1 3 367.325 -0.256 20 0 FBADHM NC(=O)c1cccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826393166 609396135 /nfs/dbraw/zinc/39/61/35/609396135.db2.gz FOLJWYJIIJUEMV-LBPRGKRZSA-N -1 3 367.325 -0.256 20 0 FBADHM NC(=O)c1cccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826393166 609396133 /nfs/dbraw/zinc/39/61/33/609396133.db2.gz FOLJWYJIIJUEMV-LBPRGKRZSA-N -1 3 367.325 -0.256 20 0 FBADHM NC(=O)c1cccc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC000826393180 609413447 /nfs/dbraw/zinc/41/34/47/609413447.db2.gz GCKSVOZTFSNQTE-UHFFFAOYSA-N -1 3 353.346 -0.403 20 0 FBADHM NC(=O)c1cccc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC000826393180 609413446 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NC(=O)c1cccc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000826393395 609382079 /nfs/dbraw/zinc/38/20/79/609382079.db2.gz QAJMHAATCXZVBD-UHFFFAOYSA-N -1 3 353.346 -0.403 20 0 FBADHM NC(=O)c1ccc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000826393474 608308585 /nfs/dbraw/zinc/30/85/85/608308585.db2.gz TYXIGGQUXZWREQ-UHFFFAOYSA-N -1 3 368.361 -0.011 20 0 FBADHM NC(=O)c1ccc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000826393474 608308584 /nfs/dbraw/zinc/30/85/84/608308584.db2.gz TYXIGGQUXZWREQ-UHFFFAOYSA-N -1 3 368.361 -0.011 20 0 FBADHM NC(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826393541 607616137 /nfs/dbraw/zinc/61/61/37/607616137.db2.gz WZRKLROBEPVKGA-LLVKDONJSA-N -1 3 356.298 -0.058 20 0 FBADHM NC(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826393541 607616135 /nfs/dbraw/zinc/61/61/35/607616135.db2.gz WZRKLROBEPVKGA-LLVKDONJSA-N -1 3 356.298 -0.058 20 0 FBADHM NC(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826393542 607616102 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372.432 -0.692 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000826393612 608566501 /nfs/dbraw/zinc/56/65/01/608566501.db2.gz ATBNWOXVLGPMNF-VIFPVBQESA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826393612 608566499 /nfs/dbraw/zinc/56/64/99/608566499.db2.gz ATBNWOXVLGPMNF-VIFPVBQESA-N -1 3 372.432 -0.692 20 0 FBADHM NC(=O)c1cnn2c1nccc2C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826393621 608109649 /nfs/dbraw/zinc/10/96/49/608109649.db2.gz AYXDZLBCLUPZSJ-UHFFFAOYSA-N -1 3 363.341 -0.062 20 0 FBADHM NC(=O)c1cnn2c1nccc2C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826393621 608109648 /nfs/dbraw/zinc/10/96/48/608109648.db2.gz AYXDZLBCLUPZSJ-UHFFFAOYSA-N -1 3 363.341 -0.062 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826393643 609234252 /nfs/dbraw/zinc/23/42/52/609234252.db2.gz BXEZPGPOUQDHPX-NEPJUHHUSA-N -1 3 366.403 -0.820 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826393643 609234250 /nfs/dbraw/zinc/23/42/50/609234250.db2.gz BXEZPGPOUQDHPX-NEPJUHHUSA-N -1 3 366.403 -0.820 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826393644 609234426 /nfs/dbraw/zinc/23/44/26/609234426.db2.gz BXEZPGPOUQDHPX-NWDGAFQWSA-N -1 3 366.403 -0.820 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826393644 609234425 /nfs/dbraw/zinc/23/44/25/609234425.db2.gz BXEZPGPOUQDHPX-NWDGAFQWSA-N -1 3 366.403 -0.820 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826393645 609234420 /nfs/dbraw/zinc/23/44/20/609234420.db2.gz BXEZPGPOUQDHPX-RYUDHWBXSA-N -1 3 366.403 -0.820 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826393645 609234419 /nfs/dbraw/zinc/23/44/19/609234419.db2.gz BXEZPGPOUQDHPX-RYUDHWBXSA-N -1 3 366.403 -0.820 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826393646 609234164 /nfs/dbraw/zinc/23/41/64/609234164.db2.gz BXEZPGPOUQDHPX-VXGBXAGGSA-N -1 3 366.403 -0.820 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826393646 609234162 /nfs/dbraw/zinc/23/41/62/609234162.db2.gz BXEZPGPOUQDHPX-VXGBXAGGSA-N -1 3 366.403 -0.820 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826393679 608566495 /nfs/dbraw/zinc/56/64/95/608566495.db2.gz DQDKIRQJANNFCQ-LLVKDONJSA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826393679 608566493 /nfs/dbraw/zinc/56/64/93/608566493.db2.gz DQDKIRQJANNFCQ-LLVKDONJSA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826393680 608566117 /nfs/dbraw/zinc/56/61/17/608566117.db2.gz DQDKIRQJANNFCQ-NSHDSACASA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826393680 608566116 /nfs/dbraw/zinc/56/61/16/608566116.db2.gz DQDKIRQJANNFCQ-NSHDSACASA-N -1 3 372.432 -0.692 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)COc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC000826393744 609473562 /nfs/dbraw/zinc/47/35/62/609473562.db2.gz HOOGPGQVSHMFFC-UHFFFAOYSA-N -1 3 369.345 -0.981 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)COc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC000826393744 609473560 /nfs/dbraw/zinc/47/35/60/609473560.db2.gz HOOGPGQVSHMFFC-UHFFFAOYSA-N -1 3 369.345 -0.981 20 0 FBADHM NC(=O)c1cccnc1N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000826393759 607713287 /nfs/dbraw/zinc/71/32/87/607713287.db2.gz IIJDFBBWVOTUFA-UHFFFAOYSA-N -1 3 367.373 -0.349 20 0 FBADHM NC(=O)c1cccnc1N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000826393759 607713285 /nfs/dbraw/zinc/71/32/85/607713285.db2.gz IIJDFBBWVOTUFA-UHFFFAOYSA-N -1 3 367.373 -0.349 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)COc3ccccc3-c3nn[n-]n3)C2)nn1 ZINC000826393809 609473480 /nfs/dbraw/zinc/47/34/80/609473480.db2.gz KJUZZZISSLAOMC-UHFFFAOYSA-N -1 3 369.345 -0.981 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)COc3ccccc3-c3nnn[n-]3)C2)nn1 ZINC000826393809 609473478 /nfs/dbraw/zinc/47/34/78/609473478.db2.gz KJUZZZISSLAOMC-UHFFFAOYSA-N -1 3 369.345 -0.981 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000826393825 609473222 /nfs/dbraw/zinc/47/32/22/609473222.db2.gz KZNXQEULXJLRKO-UHFFFAOYSA-N -1 3 369.345 -0.981 20 0 FBADHM NC(=O)c1cccnc1N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000826393870 609204266 /nfs/dbraw/zinc/20/42/66/609204266.db2.gz MXMMZYXNZAGIPC-UHFFFAOYSA-N -1 3 367.373 -0.349 20 0 FBADHM NC(=O)c1cccnc1N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000826393870 609204264 /nfs/dbraw/zinc/20/42/64/609204264.db2.gz MXMMZYXNZAGIPC-UHFFFAOYSA-N -1 3 367.373 -0.349 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)C2)nn1 ZINC000826393880 609473141 /nfs/dbraw/zinc/47/31/41/609473141.db2.gz NIZJMOVDEYCLFJ-UHFFFAOYSA-N -1 3 373.764 -0.092 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)C2)nn1 ZINC000826393880 609473139 /nfs/dbraw/zinc/47/31/39/609473139.db2.gz NIZJMOVDEYCLFJ-UHFFFAOYSA-N -1 3 373.764 -0.092 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826393894 608566429 /nfs/dbraw/zinc/56/64/29/608566429.db2.gz ODESVCNZSRVVMC-LLVKDONJSA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826393894 608566428 /nfs/dbraw/zinc/56/64/28/608566428.db2.gz ODESVCNZSRVVMC-LLVKDONJSA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826393895 608566076 /nfs/dbraw/zinc/56/60/76/608566076.db2.gz ODESVCNZSRVVMC-NSHDSACASA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826393895 608566074 /nfs/dbraw/zinc/56/60/74/608566074.db2.gz ODESVCNZSRVVMC-NSHDSACASA-N -1 3 372.432 -0.692 20 0 FBADHM NC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826393905 609620873 /nfs/dbraw/zinc/62/08/73/609620873.db2.gz OPFJZDBNQHAQNT-UHFFFAOYSA-N -1 3 366.341 -0.385 20 0 FBADHM NC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826393905 609620872 /nfs/dbraw/zinc/62/08/72/609620872.db2.gz OPFJZDBNQHAQNT-UHFFFAOYSA-N -1 3 366.341 -0.385 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)nn1 ZINC000826393910 609473464 /nfs/dbraw/zinc/47/34/64/609473464.db2.gz OULHSWZRNHNKJA-AATRIKPKSA-N -1 3 365.357 -0.346 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)nn1 ZINC000826393910 609473462 /nfs/dbraw/zinc/47/34/62/609473462.db2.gz OULHSWZRNHNKJA-AATRIKPKSA-N -1 3 365.357 -0.346 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)nn1 ZINC000826393911 609473300 /nfs/dbraw/zinc/47/33/00/609473300.db2.gz OULHSWZRNHNKJA-WAYWQWQTSA-N -1 3 365.357 -0.346 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)nn1 ZINC000826393911 609473297 /nfs/dbraw/zinc/47/32/97/609473297.db2.gz OULHSWZRNHNKJA-WAYWQWQTSA-N -1 3 365.357 -0.346 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000826393913 609472980 /nfs/dbraw/zinc/47/29/80/609472980.db2.gz OWCCBUACBZIMAJ-UHFFFAOYSA-N -1 3 367.373 -0.427 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000826393913 609472979 /nfs/dbraw/zinc/47/29/79/609472979.db2.gz OWCCBUACBZIMAJ-UHFFFAOYSA-N -1 3 367.373 -0.427 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000826393923 609473515 /nfs/dbraw/zinc/47/35/15/609473515.db2.gz PCICFOZWCMWHCU-UHFFFAOYSA-N -1 3 368.361 -0.948 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000826394009 608385360 /nfs/dbraw/zinc/38/53/60/608385360.db2.gz SRYIAVXQJOZVSB-MRVPVSSYSA-N -1 3 371.448 -0.380 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000826394009 608385358 /nfs/dbraw/zinc/38/53/58/608385358.db2.gz SRYIAVXQJOZVSB-MRVPVSSYSA-N -1 3 371.448 -0.380 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000826394010 608385234 /nfs/dbraw/zinc/38/52/34/608385234.db2.gz SRYIAVXQJOZVSB-QMMMGPOBSA-N -1 3 371.448 -0.380 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000826394010 608385233 /nfs/dbraw/zinc/38/52/33/608385233.db2.gz SRYIAVXQJOZVSB-QMMMGPOBSA-N -1 3 371.448 -0.380 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC000826394102 609473273 /nfs/dbraw/zinc/47/32/73/609473273.db2.gz WWYVKVREPZWHBD-UHFFFAOYSA-N -1 3 353.346 -0.817 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC000826394102 609473271 /nfs/dbraw/zinc/47/32/71/609473271.db2.gz WWYVKVREPZWHBD-UHFFFAOYSA-N -1 3 353.346 -0.817 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000826394141 609472968 /nfs/dbraw/zinc/47/29/68/609472968.db2.gz YIGMMUCRZQXXKU-UHFFFAOYSA-N -1 3 353.346 -0.817 20 0 FBADHM NC(=O)c1cn(C2CN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000826394141 609472967 /nfs/dbraw/zinc/47/29/67/609472967.db2.gz YIGMMUCRZQXXKU-UHFFFAOYSA-N -1 3 353.346 -0.817 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826394143 608046888 /nfs/dbraw/zinc/04/68/88/608046888.db2.gz YLCJLOYTEJHFML-MRVPVSSYSA-N -1 3 371.810 -0.192 20 0 FBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826394143 608046887 /nfs/dbraw/zinc/04/68/87/608046887.db2.gz YLCJLOYTEJHFML-MRVPVSSYSA-N -1 3 371.810 -0.192 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826394144 608046770 /nfs/dbraw/zinc/04/67/70/608046770.db2.gz YLCJLOYTEJHFML-QMMMGPOBSA-N -1 3 371.810 -0.192 20 0 FBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826394144 608046769 /nfs/dbraw/zinc/04/67/69/608046769.db2.gz YLCJLOYTEJHFML-QMMMGPOBSA-N -1 3 371.810 -0.192 20 0 FBADHM NC(=O)c1cccc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826394162 608551245 /nfs/dbraw/zinc/55/12/45/608551245.db2.gz ZFJGHWZKGYBURU-UHFFFAOYSA-N -1 3 366.341 -0.385 20 0 FBADHM NC(=O)c1cccc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826394162 608551242 /nfs/dbraw/zinc/55/12/42/608551242.db2.gz ZFJGHWZKGYBURU-UHFFFAOYSA-N -1 3 366.341 -0.385 20 0 FBADHM NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826394192 607681810 /nfs/dbraw/zinc/68/18/10/607681810.db2.gz ANXRFIXXWRGKOQ-UHFFFAOYSA-N -1 3 361.387 -0.185 20 0 FBADHM NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826394192 607681808 /nfs/dbraw/zinc/68/18/08/607681808.db2.gz ANXRFIXXWRGKOQ-UHFFFAOYSA-N -1 3 361.387 -0.185 20 0 FBADHM NS(=O)(=O)c1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826394227 608103731 /nfs/dbraw/zinc/10/37/31/608103731.db2.gz BRCVJYDQVJLEQP-UHFFFAOYSA-N -1 3 359.371 -0.161 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000826394235 608259038 /nfs/dbraw/zinc/25/90/38/608259038.db2.gz CEFQFVIPAOZELE-MRVPVSSYSA-N -1 3 371.448 -0.380 20 0 FBADHM NS(=O)(=O)[C@H]1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000826394236 608259174 /nfs/dbraw/zinc/25/91/74/608259174.db2.gz CEFQFVIPAOZELE-QMMMGPOBSA-N -1 3 371.448 -0.380 20 0 FBADHM NS(=O)(=O)C1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826394279 608040575 /nfs/dbraw/zinc/04/05/75/608040575.db2.gz DUAULRPVBMNFMB-UHFFFAOYSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)C1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826394279 608040574 /nfs/dbraw/zinc/04/05/74/608040574.db2.gz DUAULRPVBMNFMB-UHFFFAOYSA-N -1 3 365.419 -0.442 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826394322 608001074 /nfs/dbraw/zinc/00/10/74/608001074.db2.gz FXOULKYUSXMKNS-LLVKDONJSA-N -1 3 372.432 -0.941 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826394322 608001073 /nfs/dbraw/zinc/00/10/73/608001073.db2.gz FXOULKYUSXMKNS-LLVKDONJSA-N -1 3 372.432 -0.941 20 0 FBADHM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826394323 608000953 /nfs/dbraw/zinc/00/09/53/608000953.db2.gz FXOULKYUSXMKNS-NSHDSACASA-N -1 3 372.432 -0.941 20 0 FBADHM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826394323 608000952 /nfs/dbraw/zinc/00/09/52/608000952.db2.gz FXOULKYUSXMKNS-NSHDSACASA-N -1 3 372.432 -0.941 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCCC3(C2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000826394361 608016654 /nfs/dbraw/zinc/01/66/54/608016654.db2.gz HESUKPXOQWSRCK-UHFFFAOYSA-N -1 3 366.403 -0.143 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCCC3(C2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000826394361 608016653 /nfs/dbraw/zinc/01/66/53/608016653.db2.gz HESUKPXOQWSRCK-UHFFFAOYSA-N -1 3 366.403 -0.143 20 0 FBADHM NS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC000826394363 608105205 /nfs/dbraw/zinc/10/52/05/608105205.db2.gz HHVDDHPUWUIRHI-UHFFFAOYSA-N -1 3 361.343 -0.339 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826394397 608566545 /nfs/dbraw/zinc/56/65/45/608566545.db2.gz IQDIDFUJBJRISX-JTQLQIEISA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826394397 608566543 /nfs/dbraw/zinc/56/65/43/608566543.db2.gz IQDIDFUJBJRISX-JTQLQIEISA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826394398 608566112 /nfs/dbraw/zinc/56/61/12/608566112.db2.gz IQDIDFUJBJRISX-SNVBAGLBSA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826394398 608566110 /nfs/dbraw/zinc/56/61/10/608566110.db2.gz IQDIDFUJBJRISX-SNVBAGLBSA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)c1ccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC000826394399 609190971 /nfs/dbraw/zinc/19/09/71/609190971.db2.gz IRXBFBAXXIEDPX-UHFFFAOYSA-N -1 3 353.389 -0.166 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCC(OCCO)CC2)c(-c2nn[n-]n2)c1 ZINC000826394416 607935911 /nfs/dbraw/zinc/93/59/11/607935911.db2.gz JIJLEXRAWSOBLD-UHFFFAOYSA-N -1 3 368.419 -0.508 20 0 FBADHM NS(=O)(=O)c1ccc(N2CCC(OCCO)CC2)c(-c2nnn[n-]2)c1 ZINC000826394416 607935910 /nfs/dbraw/zinc/93/59/10/607935910.db2.gz JIJLEXRAWSOBLD-UHFFFAOYSA-N -1 3 368.419 -0.508 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000826394425 607957740 /nfs/dbraw/zinc/95/77/40/607957740.db2.gz JROWSXLUKYIQJE-SSDOTTSWSA-N -1 3 357.421 -0.771 20 0 FBADHM NS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000826394425 607957739 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20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826394549 608565993 /nfs/dbraw/zinc/56/59/93/608565993.db2.gz OHMYVJSSMFOIOJ-SNVBAGLBSA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826394549 608565992 /nfs/dbraw/zinc/56/59/92/608565992.db2.gz OHMYVJSSMFOIOJ-SNVBAGLBSA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)s1 ZINC000826394597 607684826 /nfs/dbraw/zinc/68/48/26/607684826.db2.gz PWXPZRKFAHVASU-UHFFFAOYSA-N -1 3 353.389 -0.166 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826394616 608566444 /nfs/dbraw/zinc/56/64/44/608566444.db2.gz QPYYTICCIDYZKE-SECBINFHSA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826394616 608566443 /nfs/dbraw/zinc/56/64/43/608566443.db2.gz QPYYTICCIDYZKE-SECBINFHSA-N -1 3 372.432 -0.692 20 0 FBADHM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826394617 608566065 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-0.675 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)OCC2(CO)COC2)cc1 ZINC000826395208 608116177 /nfs/dbraw/zinc/11/61/77/608116177.db2.gz RSJUCOJJZOWVBL-UHFFFAOYSA-N -1 3 371.357 -0.200 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)OCC2(CO)COC2)cc1 ZINC000826395208 608116176 /nfs/dbraw/zinc/11/61/76/608116176.db2.gz RSJUCOJJZOWVBL-UHFFFAOYSA-N -1 3 371.357 -0.200 20 0 FBADHM NS(=O)(=O)c1cnn(CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826395251 607959950 /nfs/dbraw/zinc/95/99/50/607959950.db2.gz UCVQUQBPVYIPNG-UHFFFAOYSA-N -1 3 374.386 -0.700 20 0 FBADHM NS(=O)(=O)c1cnn(CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826395251 607959949 /nfs/dbraw/zinc/95/99/49/607959949.db2.gz UCVQUQBPVYIPNG-UHFFFAOYSA-N -1 3 374.386 -0.700 20 0 FBADHM NS(=O)(=O)c1ccc(N[C@@H]2CCCS(=O)(=O)C2)c(-c2nn[n-]n2)c1 ZINC000826395276 607521425 /nfs/dbraw/zinc/52/14/25/607521425.db2.gz VDVUCQAHMPOSNJ-MRVPVSSYSA-N -1 3 372.432 -0.497 20 0 FBADHM NS(=O)(=O)c1ccc(N[C@@H]2CCCS(=O)(=O)C2)c(-c2nnn[n-]2)c1 ZINC000826395276 607521423 /nfs/dbraw/zinc/52/14/23/607521423.db2.gz VDVUCQAHMPOSNJ-MRVPVSSYSA-N -1 3 372.432 -0.497 20 0 FBADHM NS(=O)(=O)c1ccc(N[C@H]2CCCS(=O)(=O)C2)c(-c2nn[n-]n2)c1 ZINC000826395277 607521401 /nfs/dbraw/zinc/52/14/01/607521401.db2.gz VDVUCQAHMPOSNJ-QMMMGPOBSA-N -1 3 372.432 -0.497 20 0 FBADHM NS(=O)(=O)c1ccc(N[C@H]2CCCS(=O)(=O)C2)c(-c2nnn[n-]2)c1 ZINC000826395277 607521399 /nfs/dbraw/zinc/52/13/99/607521399.db2.gz VDVUCQAHMPOSNJ-QMMMGPOBSA-N -1 3 372.432 -0.497 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@@]2(O)CCOC2)cc1 ZINC000826395297 607862479 /nfs/dbraw/zinc/86/24/79/607862479.db2.gz VZDAIWZLKOIBBT-INIZCTEOSA-N -1 3 370.373 -0.484 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@@]2(O)CCOC2)cc1 ZINC000826395297 607862478 /nfs/dbraw/zinc/86/24/78/607862478.db2.gz VZDAIWZLKOIBBT-INIZCTEOSA-N -1 3 370.373 -0.484 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@]2(O)CCOC2)cc1 ZINC000826395298 607862513 /nfs/dbraw/zinc/86/25/13/607862513.db2.gz VZDAIWZLKOIBBT-MRXNPFEDSA-N -1 3 370.373 -0.484 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@]2(O)CCOC2)cc1 ZINC000826395298 607862512 /nfs/dbraw/zinc/86/25/12/607862512.db2.gz VZDAIWZLKOIBBT-MRXNPFEDSA-N -1 3 370.373 -0.484 20 0 FBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000826395811 608820841 /nfs/dbraw/zinc/82/08/41/608820841.db2.gz UBCUGFVMHTTZJK-UHFFFAOYSA-N -1 3 356.306 -0.749 20 0 FBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000826395811 608820838 /nfs/dbraw/zinc/82/08/38/608820838.db2.gz UBCUGFVMHTTZJK-UHFFFAOYSA-N -1 3 356.306 -0.749 20 0 FBADHM Nc1nc(N)nc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000826396218 608070731 /nfs/dbraw/zinc/07/07/31/608070731.db2.gz NACJBFSHWATRAI-LLVKDONJSA-N -1 3 354.378 -0.210 20 0 FBADHM Nc1nc(N)nc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000826396218 608070730 /nfs/dbraw/zinc/07/07/30/608070730.db2.gz NACJBFSHWATRAI-LLVKDONJSA-N -1 3 354.378 -0.210 20 0 FBADHM Nc1nc(N)nc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000826396219 608070449 /nfs/dbraw/zinc/07/04/49/608070449.db2.gz NACJBFSHWATRAI-NSHDSACASA-N -1 3 354.378 -0.210 20 0 FBADHM Nc1nc(N)nc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000826396219 608070448 /nfs/dbraw/zinc/07/04/48/608070448.db2.gz NACJBFSHWATRAI-NSHDSACASA-N -1 3 354.378 -0.210 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CCNC2=O)CC1 ZINC000826396605 609207810 /nfs/dbraw/zinc/20/78/10/609207810.db2.gz FINWRQMSOMGNEF-AWEZNQCLSA-N -1 3 371.401 -0.084 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(N2CCNC2=O)CC1 ZINC000826396605 609207809 /nfs/dbraw/zinc/20/78/09/609207809.db2.gz FINWRQMSOMGNEF-AWEZNQCLSA-N -1 3 371.401 -0.084 20 0 FBADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CCNC2=O)CC1 ZINC000826396606 609207890 /nfs/dbraw/zinc/20/78/90/609207890.db2.gz FINWRQMSOMGNEF-CQSZACIVSA-N -1 3 371.401 -0.084 20 0 FBADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(N2CCNC2=O)CC1 ZINC000826396606 609207889 /nfs/dbraw/zinc/20/78/89/609207889.db2.gz FINWRQMSOMGNEF-CQSZACIVSA-N -1 3 371.401 -0.084 20 0 FBADHM O=C(C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)N1CCCC1 ZINC000826396703 607700064 /nfs/dbraw/zinc/70/00/64/607700064.db2.gz IUHPLLLFUNLNAX-UHFFFAOYSA-N -1 3 372.389 -0.898 20 0 FBADHM O=C(C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)N1CCCC1 ZINC000826396703 607700063 /nfs/dbraw/zinc/70/00/63/607700063.db2.gz IUHPLLLFUNLNAX-UHFFFAOYSA-N -1 3 372.389 -0.898 20 0 FBADHM Nc1ncncc1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826396840 607928874 /nfs/dbraw/zinc/92/88/74/607928874.db2.gz MCYVRXPLHANDJS-UHFFFAOYSA-N -1 3 353.346 -0.715 20 0 FBADHM Nc1ncncc1CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826396840 607928873 /nfs/dbraw/zinc/92/88/73/607928873.db2.gz MCYVRXPLHANDJS-UHFFFAOYSA-N -1 3 353.346 -0.715 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000826396962 609238981 /nfs/dbraw/zinc/23/89/81/609238981.db2.gz PTRVKRFEHCAFHN-CABCVRRESA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000826396962 609238980 /nfs/dbraw/zinc/23/89/80/609238980.db2.gz PTRVKRFEHCAFHN-CABCVRRESA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000826396963 609239056 /nfs/dbraw/zinc/23/90/56/609239056.db2.gz PTRVKRFEHCAFHN-GJZGRUSLSA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000826396963 609239055 /nfs/dbraw/zinc/23/90/55/609239055.db2.gz PTRVKRFEHCAFHN-GJZGRUSLSA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000826396964 609239022 /nfs/dbraw/zinc/23/90/22/609239022.db2.gz PTRVKRFEHCAFHN-HUUCEWRRSA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000826396964 609239021 /nfs/dbraw/zinc/23/90/21/609239021.db2.gz PTRVKRFEHCAFHN-HUUCEWRRSA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000826396965 609239026 /nfs/dbraw/zinc/23/90/26/609239026.db2.gz PTRVKRFEHCAFHN-LSDHHAIUSA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000826396965 609239025 /nfs/dbraw/zinc/23/90/25/609239025.db2.gz PTRVKRFEHCAFHN-LSDHHAIUSA-N -1 3 358.402 -0.167 20 0 FBADHM Nc1ncncc1CNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826397027 608203405 /nfs/dbraw/zinc/20/34/05/608203405.db2.gz RRIDQHIALFPVMA-UHFFFAOYSA-N -1 3 355.366 -0.455 20 0 FBADHM Nc1ncncc1CNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826397027 608203404 /nfs/dbraw/zinc/20/34/04/608203404.db2.gz RRIDQHIALFPVMA-UHFFFAOYSA-N -1 3 355.366 -0.455 20 0 FBADHM O=C(C(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1)N1CCCC1 ZINC000826397068 608775720 /nfs/dbraw/zinc/77/57/20/608775720.db2.gz TVPHNVKAUJKTNL-UHFFFAOYSA-N -1 3 356.390 -0.467 20 0 FBADHM O=C(C(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1)N1CCCC1 ZINC000826397068 608775718 /nfs/dbraw/zinc/77/57/18/608775718.db2.gz TVPHNVKAUJKTNL-UHFFFAOYSA-N -1 3 356.390 -0.467 20 0 FBADHM O=C(C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)N1CCCC1 ZINC000826397158 609198528 /nfs/dbraw/zinc/19/85/28/609198528.db2.gz VYMZPPDECLHWIK-UHFFFAOYSA-N -1 3 372.389 -0.898 20 0 FBADHM O=C(C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)N1CCCC1 ZINC000826397158 609198527 /nfs/dbraw/zinc/19/85/27/609198527.db2.gz VYMZPPDECLHWIK-UHFFFAOYSA-N -1 3 372.389 -0.898 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826397797 609246159 /nfs/dbraw/zinc/24/61/59/609246159.db2.gz KXCJZHLLVNNJOF-CABCVRRESA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826397797 609246158 /nfs/dbraw/zinc/24/61/58/609246158.db2.gz KXCJZHLLVNNJOF-CABCVRRESA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@H]2CCOC2)CC1 ZINC000826397798 609246361 /nfs/dbraw/zinc/24/63/61/609246361.db2.gz KXCJZHLLVNNJOF-GJZGRUSLSA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN([C@H]2CCOC2)CC1 ZINC000826397798 609246359 /nfs/dbraw/zinc/24/63/59/609246359.db2.gz KXCJZHLLVNNJOF-GJZGRUSLSA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826397799 609246289 /nfs/dbraw/zinc/24/62/89/609246289.db2.gz KXCJZHLLVNNJOF-HUUCEWRRSA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826397799 609246287 /nfs/dbraw/zinc/24/62/87/609246287.db2.gz KXCJZHLLVNNJOF-HUUCEWRRSA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@H]2CCOC2)CC1 ZINC000826397800 609246374 /nfs/dbraw/zinc/24/63/74/609246374.db2.gz KXCJZHLLVNNJOF-LSDHHAIUSA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN([C@H]2CCOC2)CC1 ZINC000826397800 609246372 /nfs/dbraw/zinc/24/63/72/609246372.db2.gz KXCJZHLLVNNJOF-LSDHHAIUSA-N -1 3 358.402 -0.167 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCOC[C@@H]1c1ncon1 ZINC000826397982 609259285 /nfs/dbraw/zinc/25/92/85/609259285.db2.gz NZKYMKXLPUKHKG-NEPJUHHUSA-N -1 3 357.330 -0.117 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCOC[C@@H]1c1ncon1 ZINC000826397982 609259283 /nfs/dbraw/zinc/25/92/83/609259283.db2.gz NZKYMKXLPUKHKG-NEPJUHHUSA-N -1 3 357.330 -0.117 20 0 FBADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCOC[C@H]1c1ncon1 ZINC000826397983 609259417 /nfs/dbraw/zinc/25/94/17/609259417.db2.gz NZKYMKXLPUKHKG-NWDGAFQWSA-N -1 3 357.330 -0.117 20 0 FBADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCOC[C@H]1c1ncon1 ZINC000826397983 609259416 /nfs/dbraw/zinc/25/94/16/609259416.db2.gz NZKYMKXLPUKHKG-NWDGAFQWSA-N -1 3 357.330 -0.117 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCOC[C@H]1c1ncon1 ZINC000826397984 609259106 /nfs/dbraw/zinc/25/91/06/609259106.db2.gz NZKYMKXLPUKHKG-RYUDHWBXSA-N -1 3 357.330 -0.117 20 0 FBADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCOC[C@H]1c1ncon1 ZINC000826397984 609259104 /nfs/dbraw/zinc/25/91/04/609259104.db2.gz NZKYMKXLPUKHKG-RYUDHWBXSA-N -1 3 357.330 -0.117 20 0 FBADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCOC[C@@H]1c1ncon1 ZINC000826397985 609259203 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O=C(CN1CCOCC1)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826411385 607839900 /nfs/dbraw/zinc/83/99/00/607839900.db2.gz WNALHJBLVBFNSW-UHFFFAOYSA-N -1 3 358.406 -0.758 20 0 FBADHM O=C(CN1CCOCC1)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826411385 607839899 /nfs/dbraw/zinc/83/98/99/607839899.db2.gz WNALHJBLVBFNSW-UHFFFAOYSA-N -1 3 358.406 -0.758 20 0 FBADHM O=C(CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)N1CCNC1=O ZINC000826411437 608071108 /nfs/dbraw/zinc/07/11/08/608071108.db2.gz YAMTZZARGMMGEC-CYBMUJFWSA-N -1 3 357.374 -0.208 20 0 FBADHM O=C(CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)N1CCNC1=O ZINC000826411437 608071107 /nfs/dbraw/zinc/07/11/07/608071107.db2.gz YAMTZZARGMMGEC-CYBMUJFWSA-N -1 3 357.374 -0.208 20 0 FBADHM O=C(CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)N1CCNC1=O ZINC000826411438 608071072 /nfs/dbraw/zinc/07/10/72/608071072.db2.gz YAMTZZARGMMGEC-ZDUSSCGKSA-N -1 3 357.374 -0.208 20 0 FBADHM O=C(CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)N1CCNC1=O ZINC000826411438 608071071 /nfs/dbraw/zinc/07/10/71/608071071.db2.gz YAMTZZARGMMGEC-ZDUSSCGKSA-N -1 3 357.374 -0.208 20 0 FBADHM O=C(CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)NCCO ZINC000826411544 608007462 /nfs/dbraw/zinc/00/74/62/608007462.db2.gz CKCQBGJUVODLRB-UHFFFAOYSA-N -1 3 371.304 -0.302 20 0 FBADHM O=C(CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)NCCO ZINC000826411544 608007461 /nfs/dbraw/zinc/00/74/61/608007461.db2.gz CKCQBGJUVODLRB-UHFFFAOYSA-N -1 3 371.304 -0.302 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCC1(CO)CCOCC1 ZINC000826411592 607465056 /nfs/dbraw/zinc/46/50/56/607465056.db2.gz FKEVUOOHOBDLPC-UHFFFAOYSA-N -1 3 374.401 -0.498 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCC1(CO)CCOCC1 ZINC000826411592 607465055 /nfs/dbraw/zinc/46/50/55/607465055.db2.gz FKEVUOOHOBDLPC-UHFFFAOYSA-N -1 3 374.401 -0.498 20 0 FBADHM O=C(CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccco1 ZINC000826411628 609186395 /nfs/dbraw/zinc/18/63/95/609186395.db2.gz GUDGHGZGUDQVBQ-AWEZNQCLSA-N -1 3 356.342 -0.074 20 0 FBADHM O=C(CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccco1 ZINC000826411628 609186393 /nfs/dbraw/zinc/18/63/93/609186393.db2.gz GUDGHGZGUDQVBQ-AWEZNQCLSA-N -1 3 356.342 -0.074 20 0 FBADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccco1 ZINC000826411629 609186707 /nfs/dbraw/zinc/18/67/07/609186707.db2.gz GUDGHGZGUDQVBQ-CQSZACIVSA-N -1 3 356.342 -0.074 20 0 FBADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccco1 ZINC000826411629 609186706 /nfs/dbraw/zinc/18/67/06/609186706.db2.gz GUDGHGZGUDQVBQ-CQSZACIVSA-N -1 3 356.342 -0.074 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCc1cnccn1 ZINC000826411655 608432945 /nfs/dbraw/zinc/43/29/45/608432945.db2.gz HYGKBDZYCYPELT-UHFFFAOYSA-N -1 3 352.358 -0.255 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCc1cnccn1 ZINC000826411655 608432944 /nfs/dbraw/zinc/43/29/44/608432944.db2.gz HYGKBDZYCYPELT-UHFFFAOYSA-N -1 3 352.358 -0.255 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)c1ccccn1 ZINC000826411682 608197004 /nfs/dbraw/zinc/19/70/04/608197004.db2.gz JAYWSHZEXVDEOT-AWEZNQCLSA-N -1 3 367.369 -0.159 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H](O)c1ccccn1 ZINC000826411682 608197003 /nfs/dbraw/zinc/19/70/03/608197003.db2.gz JAYWSHZEXVDEOT-AWEZNQCLSA-N -1 3 367.369 -0.159 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H](O)c1ccccn1 ZINC000826411683 608197362 /nfs/dbraw/zinc/19/73/62/608197362.db2.gz JAYWSHZEXVDEOT-CQSZACIVSA-N -1 3 367.369 -0.159 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H](O)c1ccccn1 ZINC000826411683 608197359 /nfs/dbraw/zinc/19/73/59/608197359.db2.gz JAYWSHZEXVDEOT-CQSZACIVSA-N -1 3 367.369 -0.159 20 0 FBADHM O=C(CNC(=O)NCCNc1ncccc1-c1nn[n-]n1)NCC1CC1 ZINC000826411708 609463484 /nfs/dbraw/zinc/46/34/84/609463484.db2.gz JQNDKLJOZGTLSW-UHFFFAOYSA-N -1 3 359.394 -0.501 20 0 FBADHM O=C(CNC(=O)NCCNc1ncccc1-c1nnn[n-]1)NCC1CC1 ZINC000826411708 609463482 /nfs/dbraw/zinc/46/34/82/609463482.db2.gz JQNDKLJOZGTLSW-UHFFFAOYSA-N -1 3 359.394 -0.501 20 0 FBADHM O=C(CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)NCCO ZINC000826411763 607510341 /nfs/dbraw/zinc/51/03/41/607510341.db2.gz MHIUTOCAUVHUQZ-CYBMUJFWSA-N -1 3 359.390 -0.940 20 0 FBADHM O=C(CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)NCCO ZINC000826411764 607510111 /nfs/dbraw/zinc/51/01/11/607510111.db2.gz MHIUTOCAUVHUQZ-ZDUSSCGKSA-N -1 3 359.390 -0.940 20 0 FBADHM O=C(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)NCC1CC1 ZINC000826411768 609357010 /nfs/dbraw/zinc/35/70/10/609357010.db2.gz MMPNVQXVZWBZQO-UHFFFAOYSA-N -1 3 361.337 -0.413 20 0 FBADHM O=C(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)NCC1CC1 ZINC000826411768 609357007 /nfs/dbraw/zinc/35/70/07/609357007.db2.gz MMPNVQXVZWBZQO-UHFFFAOYSA-N -1 3 361.337 -0.413 20 0 FBADHM O=C(CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)NCC1CC1 ZINC000826411852 609357556 /nfs/dbraw/zinc/35/75/56/609357556.db2.gz QEXBQOGYCCAFOS-UHFFFAOYSA-N -1 3 361.337 -0.413 20 0 FBADHM O=C(CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)NCC1CC1 ZINC000826411852 609357553 /nfs/dbraw/zinc/35/75/53/609357553.db2.gz QEXBQOGYCCAFOS-UHFFFAOYSA-N -1 3 361.337 -0.413 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCC(=O)NCC1CC1 ZINC000826411861 609332925 /nfs/dbraw/zinc/33/29/25/609332925.db2.gz QMRRGVUJGUVSJW-UHFFFAOYSA-N -1 3 357.374 -0.761 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCC(=O)NCC1CC1 ZINC000826411861 609332923 /nfs/dbraw/zinc/33/29/23/609332923.db2.gz QMRRGVUJGUVSJW-UHFFFAOYSA-N -1 3 357.374 -0.761 20 0 FBADHM O=C(CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)NCC1CC1 ZINC000826411876 609439926 /nfs/dbraw/zinc/43/99/26/609439926.db2.gz QZOARPPHYBFUKQ-UHFFFAOYSA-N -1 3 359.394 -0.501 20 0 FBADHM O=C(CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)NCC1CC1 ZINC000826411876 609439924 /nfs/dbraw/zinc/43/99/24/609439924.db2.gz QZOARPPHYBFUKQ-UHFFFAOYSA-N -1 3 359.394 -0.501 20 0 FBADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)NCC1CC1 ZINC000826411917 609357322 /nfs/dbraw/zinc/35/73/22/609357322.db2.gz SPGUKQTVQYKYMJ-UHFFFAOYSA-N -1 3 361.337 -0.413 20 0 FBADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)NCC1CC1 ZINC000826411917 609357319 /nfs/dbraw/zinc/35/73/19/609357319.db2.gz SPGUKQTVQYKYMJ-UHFFFAOYSA-N -1 3 361.337 -0.413 20 0 FBADHM O=C(CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1)NCc1ccco1 ZINC000826411982 608219423 /nfs/dbraw/zinc/21/94/23/608219423.db2.gz WLBVWPBNBUZQCC-UHFFFAOYSA-N -1 3 356.346 -0.301 20 0 FBADHM O=C(CNC(=O)CNc1ccc(-c2nnn[n-]2)cn1)NCc1ccco1 ZINC000826411982 608219422 /nfs/dbraw/zinc/21/94/22/608219422.db2.gz WLBVWPBNBUZQCC-UHFFFAOYSA-N -1 3 356.346 -0.301 20 0 FBADHM O=C(CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)NCC(F)(F)F ZINC000826412011 609202892 /nfs/dbraw/zinc/20/28/92/609202892.db2.gz YANDEHCZMXNYEL-JTQLQIEISA-N -1 3 358.280 -0.305 20 0 FBADHM O=C(CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)NCC(F)(F)F ZINC000826412011 609202891 /nfs/dbraw/zinc/20/28/91/609202891.db2.gz YANDEHCZMXNYEL-JTQLQIEISA-N -1 3 358.280 -0.305 20 0 FBADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)NCC(F)(F)F ZINC000826412012 609204907 /nfs/dbraw/zinc/20/49/07/609204907.db2.gz YANDEHCZMXNYEL-SNVBAGLBSA-N -1 3 358.280 -0.305 20 0 FBADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)NCC(F)(F)F ZINC000826412012 609204905 /nfs/dbraw/zinc/20/49/05/609204905.db2.gz YANDEHCZMXNYEL-SNVBAGLBSA-N -1 3 358.280 -0.305 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCCn1ccnn1 ZINC000826412033 608140919 /nfs/dbraw/zinc/14/09/19/608140919.db2.gz YTZMUGOMDQDDHN-UHFFFAOYSA-N -1 3 355.362 -0.606 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCCn1ccnn1 ZINC000826412033 608140918 /nfs/dbraw/zinc/14/09/18/608140918.db2.gz YTZMUGOMDQDDHN-UHFFFAOYSA-N -1 3 355.362 -0.606 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)c1ccncc1 ZINC000826412043 607563038 /nfs/dbraw/zinc/56/30/38/607563038.db2.gz YYMYKNMDWHGTTA-AWEZNQCLSA-N -1 3 367.369 -0.159 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H](O)c1ccncc1 ZINC000826412043 607563036 /nfs/dbraw/zinc/56/30/36/607563036.db2.gz YYMYKNMDWHGTTA-AWEZNQCLSA-N -1 3 367.369 -0.159 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H](O)c1ccncc1 ZINC000826412044 607563006 /nfs/dbraw/zinc/56/30/06/607563006.db2.gz YYMYKNMDWHGTTA-CQSZACIVSA-N -1 3 367.369 -0.159 20 0 FBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H](O)c1ccncc1 ZINC000826412044 607563004 /nfs/dbraw/zinc/56/30/04/607563004.db2.gz YYMYKNMDWHGTTA-CQSZACIVSA-N -1 3 367.369 -0.159 20 0 FBADHM O=C(CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)NCC1CC1 ZINC000826412245 609334373 /nfs/dbraw/zinc/33/43/73/609334373.db2.gz HQFUGFAHHPPBDX-UHFFFAOYSA-N -1 3 368.394 -0.049 20 0 FBADHM O=C(CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)NC1CC1 ZINC000826412337 608327090 /nfs/dbraw/zinc/32/70/90/608327090.db2.gz KNJGDWMXHBAXRC-UHFFFAOYSA-N -1 3 354.367 -0.296 20 0 FBADHM O=C(CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)N1CCOCC1 ZINC000826412475 661110892 /nfs/dbraw/zinc/11/08/92/661110892.db2.gz PESJQNRKEJPPNY-UHFFFAOYSA-N -1 3 366.403 -0.855 20 0 FBADHM O=C(CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)N1CCOCC1 ZINC000826412475 661110890 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CCON(C)C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001117693849 843153007 /nfs/dbraw/zinc/15/30/07/843153007.db2.gz JTWJUIIOUXYZKL-UHFFFAOYSA-N -1 3 365.358 -0.231 20 0 FBADHM O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCc2c(nc[n-]c2=O)C1 ZINC001117737100 843160697 /nfs/dbraw/zinc/16/06/97/843160697.db2.gz IANRBGMYWFZWMT-UHFFFAOYSA-N -1 3 361.383 -0.436 20 0 FBADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(=O)N1CCS(=O)(=O)CC1 ZINC001117766885 843164082 /nfs/dbraw/zinc/16/40/82/843164082.db2.gz CVOTWGGRJANVKB-SECBINFHSA-N -1 3 368.415 -0.565 20 0 FBADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(=O)N1CCS(=O)(=O)CC1 ZINC001117766886 843163890 /nfs/dbraw/zinc/16/38/90/843163890.db2.gz CVOTWGGRJANVKB-VIFPVBQESA-N -1 3 368.415 -0.565 20 0 FBADHM CCn1nc(C)c(CNC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC001118177854 843206147 /nfs/dbraw/zinc/20/61/47/843206147.db2.gz ZAAPONBRVWOTOD-UHFFFAOYSA-N -1 3 360.300 -0.324 20 0 FBADHM CCOC(=O)[C@H]1CNCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC001118196782 843210842 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CC1CCN(CCNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC001118254643 843226516 /nfs/dbraw/zinc/22/65/16/843226516.db2.gz GOUUCFXTGVMVBW-UHFFFAOYSA-N -1 3 355.435 -0.168 20 0 FBADHM CNS(=O)(=O)NC1CCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1 ZINC001118271067 843230536 /nfs/dbraw/zinc/23/05/36/843230536.db2.gz HJAOBHJQCLSRKO-UHFFFAOYSA-N -1 3 371.463 -0.224 20 0 FBADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(=O)n(CCO)c2)c(C)o1 ZINC001118284523 843233796 /nfs/dbraw/zinc/23/37/96/843233796.db2.gz NKSKQOTUXIVSAX-UHFFFAOYSA-N -1 3 355.372 -0.098 20 0 FBADHM CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001118299960 843237391 /nfs/dbraw/zinc/23/73/91/843237391.db2.gz QNOHPAIMAZSVEN-JTQLQIEISA-N -1 3 359.379 -0.702 20 0 FBADHM CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001118299961 843237085 /nfs/dbraw/zinc/23/70/85/843237085.db2.gz QNOHPAIMAZSVEN-SNVBAGLBSA-N -1 3 359.379 -0.702 20 0 FBADHM COC1(CO)CCN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC001118320881 843243945 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20 0 FBADHM C[C@@H]1CCN(C(=O)C(=O)N2CCN[C@@H](C)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001118510495 843282449 /nfs/dbraw/zinc/28/24/49/843282449.db2.gz HIVMSYCMBQNVTO-VWYCJHECSA-N -1 3 364.368 -0.278 20 0 FBADHM CN(CC(=O)N1CCCC1)C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001118648939 843313965 /nfs/dbraw/zinc/31/39/65/843313965.db2.gz LSWNWRRLAXEKIG-UHFFFAOYSA-N -1 3 362.312 -0.480 20 0 FBADHM COc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)sc1S(N)(=O)=O ZINC001118763618 843340654 /nfs/dbraw/zinc/34/06/54/843340654.db2.gz OYZLHEOZLQNWJI-UHFFFAOYSA-N -1 3 360.417 -0.210 20 0 FBADHM CC(C)(C)OC(=O)[C@@H]1COCCN1Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC001118804895 843345509 /nfs/dbraw/zinc/34/55/09/843345509.db2.gz IPTMLUWQWZZZLI-JTQLQIEISA-N -1 3 350.379 -0.458 20 0 FBADHM CC(C)(C)OC(=O)[C@H]1COCCN1Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC001118804896 843345888 /nfs/dbraw/zinc/34/58/88/843345888.db2.gz IPTMLUWQWZZZLI-SNVBAGLBSA-N -1 3 350.379 -0.458 20 0 FBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)O1 ZINC001118860779 843356804 /nfs/dbraw/zinc/35/68/04/843356804.db2.gz WTCTZOUCXYGXNY-VHSXEESVSA-N -1 3 351.325 -0.064 20 0 FBADHM Cc1nc(C)c(CC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)c(=O)[n-]1 ZINC001118896623 843368447 /nfs/dbraw/zinc/36/84/47/843368447.db2.gz DWYHDRNRNFQYDK-LLVKDONJSA-N -1 3 358.420 -0.882 20 0 FBADHM Cc1nc(C)c(CC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)c(=O)[n-]1 ZINC001118896624 843368628 /nfs/dbraw/zinc/36/86/28/843368628.db2.gz DWYHDRNRNFQYDK-NSHDSACASA-N -1 3 358.420 -0.882 20 0 FBADHM CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001118920815 843373449 /nfs/dbraw/zinc/37/34/49/843373449.db2.gz DLBDBFSZDXOKKV-CYBMUJFWSA-N -1 3 355.435 -0.073 20 0 FBADHM CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001118920816 843372871 /nfs/dbraw/zinc/37/28/71/843372871.db2.gz DLBDBFSZDXOKKV-ZDUSSCGKSA-N -1 3 355.435 -0.073 20 0 FBADHM Cn1ncnc1CCCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001118939829 843377231 /nfs/dbraw/zinc/37/72/31/843377231.db2.gz TXMCJROICIVVGI-UHFFFAOYSA-N -1 3 371.195 -0.411 20 0 FBADHM CC(=O)N1CCN(C(=O)CSc2nc3c(cnn3C)c(=O)[n-]2)CC1 ZINC001118952339 843381457 /nfs/dbraw/zinc/38/14/57/843381457.db2.gz UNEHIADFTYROKS-UHFFFAOYSA-N -1 3 350.404 -0.148 20 0 FBADHM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccnnc2)C1 ZINC001118959527 843383359 /nfs/dbraw/zinc/38/33/59/843383359.db2.gz LHGWJVXCDGAGSE-HAQNSBGRSA-N -1 3 364.449 -0.295 20 0 FBADHM Cc1nc(C)c(CC(=O)N2CCO[C@@H](CN3CCOCC3)C2)c(=O)[n-]1 ZINC001118982698 843387178 /nfs/dbraw/zinc/38/71/78/843387178.db2.gz OXASGRIKHRVAQW-AWEZNQCLSA-N -1 3 350.419 -0.099 20 0 FBADHM Cc1nc(C)c(CC(=O)N2CCO[C@H](CN3CCOCC3)C2)c(=O)[n-]1 ZINC001118982699 843387377 /nfs/dbraw/zinc/38/73/77/843387377.db2.gz OXASGRIKHRVAQW-CQSZACIVSA-N -1 3 350.419 -0.099 20 0 FBADHM CNC(=O)c1cc(S(=O)(=O)N2CCc3c(nc[n-]c3=O)C2)cn1C ZINC001118984385 843387403 /nfs/dbraw/zinc/38/74/03/843387403.db2.gz FBGNMQNAHAFGLO-UHFFFAOYSA-N -1 3 351.388 -0.373 20 0 FBADHM Cn1cc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)c(Br)n1 ZINC001118997122 838844711 /nfs/dbraw/zinc/84/47/11/838844711.db2.gz XDUBFXVFBUCURX-UHFFFAOYSA-N -1 3 372.266 -0.104 20 0 FBADHM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC001119035719 843399195 /nfs/dbraw/zinc/39/91/95/843399195.db2.gz ZCUVWNFMOGBLRV-CXAGYDPISA-N -1 3 353.419 -0.367 20 0 FBADHM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC001119035720 843398660 /nfs/dbraw/zinc/39/86/60/843398660.db2.gz ZCUVWNFMOGBLRV-DYVFJYSZSA-N -1 3 353.419 -0.367 20 0 FBADHM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC001119035721 843398713 /nfs/dbraw/zinc/39/87/13/843398713.db2.gz ZCUVWNFMOGBLRV-GUYCJALGSA-N -1 3 353.419 -0.367 20 0 FBADHM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC001119035722 843398827 /nfs/dbraw/zinc/39/88/27/843398827.db2.gz ZCUVWNFMOGBLRV-SUMWQHHRSA-N -1 3 353.419 -0.367 20 0 FBADHM Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]c1ncn(CC(=O)N(C)C)n1 ZINC001119087063 843406317 /nfs/dbraw/zinc/40/63/17/843406317.db2.gz BWVZTSQIYIPOOK-UHFFFAOYSA-N -1 3 355.376 -0.076 20 0 FBADHM Cc1cc(=O)[n-]c(N2CCN(S(=O)(=O)N3CCCOCC3)CC2)n1 ZINC001119373755 843443702 /nfs/dbraw/zinc/44/37/02/843443702.db2.gz HMPMYADBDDBKSI-UHFFFAOYSA-N -1 3 357.436 -0.420 20 0 FBADHM Cn1cc(S(=O)(=O)[N-]CCN2CCNC2=O)c(Br)n1 ZINC001119373851 839059939 /nfs/dbraw/zinc/05/99/39/839059939.db2.gz ISDUBSMTLNCUHB-UHFFFAOYSA-N -1 3 352.214 -0.514 20 0 FBADHM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC001119390702 843443312 /nfs/dbraw/zinc/44/33/12/843443312.db2.gz ZPGIIUNEPWGNKF-KRWDZBQOSA-N -1 3 355.435 -0.216 20 0 FBADHM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC001119390704 843443300 /nfs/dbraw/zinc/44/33/00/843443300.db2.gz ZPGIIUNEPWGNKF-QGZVFWFLSA-N -1 3 355.435 -0.216 20 0 FBADHM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC001119391334 843442978 /nfs/dbraw/zinc/44/29/78/843442978.db2.gz BXHIHHZUHIMXKG-CXAGYDPISA-N -1 3 353.419 -0.463 20 0 FBADHM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC001119391335 843443420 /nfs/dbraw/zinc/44/34/20/843443420.db2.gz BXHIHHZUHIMXKG-DYVFJYSZSA-N -1 3 353.419 -0.463 20 0 FBADHM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC001119391336 843443147 /nfs/dbraw/zinc/44/31/47/843443147.db2.gz BXHIHHZUHIMXKG-GUYCJALGSA-N -1 3 353.419 -0.463 20 0 FBADHM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC001119391337 843443672 /nfs/dbraw/zinc/44/36/72/843443672.db2.gz BXHIHHZUHIMXKG-SUMWQHHRSA-N -1 3 353.419 -0.463 20 0 FBADHM COC1CCN(S(=O)(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)CC1 ZINC001119432945 843446485 /nfs/dbraw/zinc/44/64/85/843446485.db2.gz QMGNZLJKBHGOGE-UHFFFAOYSA-N -1 3 371.463 -0.032 20 0 FBADHM CN(CC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)[C@H]1CCSC1 ZINC001119581582 843459401 /nfs/dbraw/zinc/45/94/01/843459401.db2.gz IRBUIDUFECKCHO-BBRMVZONSA-N -1 3 357.476 -0.188 20 0 FBADHM CN(CC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)[C@@H]1CCSC1 ZINC001119581585 843458973 /nfs/dbraw/zinc/45/89/73/843458973.db2.gz IRBUIDUFECKCHO-CJNGLKHVSA-N -1 3 357.476 -0.188 20 0 FBADHM CN(CC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)[C@@H]1CCSC1 ZINC001119581586 843459189 /nfs/dbraw/zinc/45/91/89/843459189.db2.gz IRBUIDUFECKCHO-CZUORRHYSA-N -1 3 357.476 -0.188 20 0 FBADHM CN(CC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)[C@H]1CCSC1 ZINC001119581588 843458879 /nfs/dbraw/zinc/45/88/79/843458879.db2.gz IRBUIDUFECKCHO-XJKSGUPXSA-N -1 3 357.476 -0.188 20 0 FBADHM O=C(C1CCC(N2CCOCC2)CC1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001119595956 843461338 /nfs/dbraw/zinc/46/13/38/843461338.db2.gz IAODJGWVASBHAY-JXQTWKCFSA-N -1 3 350.423 -0.009 20 0 FBADHM O=C(C1CCC(N2CCOCC2)CC1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001119595956 843461334 /nfs/dbraw/zinc/46/13/34/843461334.db2.gz IAODJGWVASBHAY-JXQTWKCFSA-N -1 3 350.423 -0.009 20 0 FBADHM O=C(C1CCC(N2CCOCC2)CC1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001119595959 843461453 /nfs/dbraw/zinc/46/14/53/843461453.db2.gz IAODJGWVASBHAY-RUXDESIVSA-N -1 3 350.423 -0.009 20 0 FBADHM O=C(C1CCC(N2CCOCC2)CC1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001119595959 843461451 /nfs/dbraw/zinc/46/14/51/843461451.db2.gz IAODJGWVASBHAY-RUXDESIVSA-N -1 3 350.423 -0.009 20 0 FBADHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCO[C@@H](C)C1)C[C@H]2C(=O)[O-] ZINC001119606502 843462885 /nfs/dbraw/zinc/46/28/85/843462885.db2.gz OVFLCVCIEMJFPS-BBYOUEMTSA-N -1 3 354.403 -0.181 20 0 FBADHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCO[C@H](C)C1)C[C@@H]2C(=O)[O-] ZINC001119606503 843462549 /nfs/dbraw/zinc/46/25/49/843462549.db2.gz OVFLCVCIEMJFPS-GWUZIGMUSA-N -1 3 354.403 -0.181 20 0 FBADHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCO[C@@H](C)C1)C[C@@H]2C(=O)[O-] ZINC001119606504 843462789 /nfs/dbraw/zinc/46/27/89/843462789.db2.gz OVFLCVCIEMJFPS-IRSUPMPHSA-N -1 3 354.403 -0.181 20 0 FBADHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCO[C@H](C)C1)C[C@H]2C(=O)[O-] ZINC001119606505 843462662 /nfs/dbraw/zinc/46/26/62/843462662.db2.gz OVFLCVCIEMJFPS-QGXCKBJSSA-N -1 3 354.403 -0.181 20 0 FBADHM CCN1CCN(CCC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001119606993 843462825 /nfs/dbraw/zinc/46/28/25/843462825.db2.gz QSITZYGHYVWYAV-AWEZNQCLSA-N -1 3 354.451 -0.404 20 0 FBADHM CCN1CCN(CCC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001119606999 843462438 /nfs/dbraw/zinc/46/24/38/843462438.db2.gz QSITZYGHYVWYAV-CQSZACIVSA-N -1 3 354.451 -0.404 20 0 FBADHM O=C([O-])CN1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC001119649939 843467128 /nfs/dbraw/zinc/46/71/28/843467128.db2.gz FGNLHGDHAOPTNI-CABCVRRESA-N -1 3 355.435 -0.515 20 0 FBADHM CO[N-]C(=O)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001119848074 843490510 /nfs/dbraw/zinc/49/05/10/843490510.db2.gz ZVSZSGQNLFSCJR-UHFFFAOYSA-N -1 3 354.382 -0.490 20 0 FBADHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001119883207 843494408 /nfs/dbraw/zinc/49/44/08/843494408.db2.gz UCYWJOUMSHTYOE-BBBLOLIVSA-N -1 3 353.329 -0.399 20 0 FBADHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001119883208 843494433 /nfs/dbraw/zinc/49/44/33/843494433.db2.gz UCYWJOUMSHTYOE-LPEHRKFASA-N -1 3 353.329 -0.399 20 0 FBADHM COC[C@@H]1CNCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001122331951 843612484 /nfs/dbraw/zinc/61/24/84/843612484.db2.gz NCAOXQZYRIYIRH-JTQLQIEISA-N -1 3 363.386 -0.310 20 0 FBADHM COC[C@H]1CNCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001122331952 843612873 /nfs/dbraw/zinc/61/28/73/843612873.db2.gz NCAOXQZYRIYIRH-SNVBAGLBSA-N -1 3 363.386 -0.310 20 0 FBADHM COCCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001122441713 843616097 /nfs/dbraw/zinc/61/60/97/843616097.db2.gz RCEZQUGSENTIJI-JTQLQIEISA-N -1 3 368.829 -0.116 20 0 FBADHM COCCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001122441713 843616093 /nfs/dbraw/zinc/61/60/93/843616093.db2.gz RCEZQUGSENTIJI-JTQLQIEISA-N -1 3 368.829 -0.116 20 0 FBADHM COCCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001122441714 843615993 /nfs/dbraw/zinc/61/59/93/843615993.db2.gz RCEZQUGSENTIJI-SNVBAGLBSA-N -1 3 368.829 -0.116 20 0 FBADHM COCCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001122441714 843615984 /nfs/dbraw/zinc/61/59/84/843615984.db2.gz RCEZQUGSENTIJI-SNVBAGLBSA-N -1 3 368.829 -0.116 20 0 FBADHM Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001122905930 843624804 /nfs/dbraw/zinc/62/48/04/843624804.db2.gz WBSQBDJTUOWFCN-UHFFFAOYSA-N -1 3 360.831 -0.228 20 0 FBADHM Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001122905930 843624798 /nfs/dbraw/zinc/62/47/98/843624798.db2.gz WBSQBDJTUOWFCN-UHFFFAOYSA-N -1 3 360.831 -0.228 20 0 FBADHM CCS(=O)(=O)NC1CCN(c2nnc(CCc3nn[n-]n3)n2C)CC1 ZINC001122982294 843626300 /nfs/dbraw/zinc/62/63/00/843626300.db2.gz XZQIVVODORJFCM-UHFFFAOYSA-N -1 3 369.455 -0.979 20 0 FBADHM CCS(=O)(=O)NC1CCN(c2nnc(CCc3nnn[n-]3)n2C)CC1 ZINC001122982294 843626296 /nfs/dbraw/zinc/62/62/96/843626296.db2.gz XZQIVVODORJFCM-UHFFFAOYSA-N -1 3 369.455 -0.979 20 0 FBADHM Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001122994756 843625953 /nfs/dbraw/zinc/62/59/53/843625953.db2.gz HTTURVBKLUJTBM-UHFFFAOYSA-N -1 3 353.408 -0.504 20 0 FBADHM Cn1c(CCc2nn[n-]n2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001123224976 843627785 /nfs/dbraw/zinc/62/77/85/843627785.db2.gz ZBKJASJQTJLMAD-UHFFFAOYSA-N -1 3 360.451 -0.108 20 0 FBADHM Cn1c(CCc2nnn[n-]2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001123224976 843627777 /nfs/dbraw/zinc/62/77/77/843627777.db2.gz ZBKJASJQTJLMAD-UHFFFAOYSA-N -1 3 360.451 -0.108 20 0 FBADHM Cc1nc(-c2nnc(N3CCC[C@H](NS(C)(=O)=O)C3)n2C)cc(=O)[n-]1 ZINC001123278546 843627952 /nfs/dbraw/zinc/62/79/52/843627952.db2.gz ZMPXTTRMOKLDMU-JTQLQIEISA-N -1 3 367.435 -0.196 20 0 FBADHM Cc1nc(-c2nnc(N3CCC[C@@H](NS(C)(=O)=O)C3)n2C)cc(=O)[n-]1 ZINC001123278547 843628063 /nfs/dbraw/zinc/62/80/63/843628063.db2.gz ZMPXTTRMOKLDMU-SNVBAGLBSA-N -1 3 367.435 -0.196 20 0 FBADHM CN(C)S(=O)(=O)N1CCN(c2nnc(-c3c[n-]oc3=O)n2C)CC1 ZINC001123379019 843629336 /nfs/dbraw/zinc/62/93/36/843629336.db2.gz NORHWHPYKDVKIR-UHFFFAOYSA-N -1 3 357.396 -0.896 20 0 FBADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)CN1C(=O)CCC1=O ZINC001123642086 843634396 /nfs/dbraw/zinc/63/43/96/843634396.db2.gz JTJIJXMOCGGHSR-UHFFFAOYSA-N -1 3 357.363 -0.038 20 0 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-0.428 20 0 FBADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CC(N2CCOCC2)C1 ZINC001185581932 840497696 /nfs/dbraw/zinc/49/76/96/840497696.db2.gz FFIOSJGNKJNRFF-UHFFFAOYSA-N -1 3 350.404 -0.428 20 0 FBADHM COC(=O)C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185588520 840497037 /nfs/dbraw/zinc/49/70/37/840497037.db2.gz PTMQRSADDSBQCU-NSHDSACASA-N -1 3 367.387 -0.181 20 0 FBADHM COC(=O)C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185588520 840497029 /nfs/dbraw/zinc/49/70/29/840497029.db2.gz PTMQRSADDSBQCU-NSHDSACASA-N -1 3 367.387 -0.181 20 0 FBADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1C ZINC001185588820 840497678 /nfs/dbraw/zinc/49/76/78/840497678.db2.gz YMEKQZRCZUILET-GFCCVEGCSA-N -1 3 366.403 -0.656 20 0 FBADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1C ZINC001185588820 840497676 /nfs/dbraw/zinc/49/76/76/840497676.db2.gz YMEKQZRCZUILET-GFCCVEGCSA-N -1 3 366.403 -0.656 20 0 FBADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1C ZINC001185588821 840496909 /nfs/dbraw/zinc/49/69/09/840496909.db2.gz YMEKQZRCZUILET-LBPRGKRZSA-N -1 3 366.403 -0.656 20 0 FBADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1C ZINC001185588821 840496903 /nfs/dbraw/zinc/49/69/03/840496903.db2.gz YMEKQZRCZUILET-LBPRGKRZSA-N -1 3 366.403 -0.656 20 0 FBADHM O=C1COC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCN12 ZINC001185588842 840497760 /nfs/dbraw/zinc/49/77/60/840497760.db2.gz ZTCSWJDHDCTWST-LLVKDONJSA-N -1 3 364.387 -0.902 20 0 FBADHM O=C1COC[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCN12 ZINC001185588842 840497758 /nfs/dbraw/zinc/49/77/58/840497758.db2.gz ZTCSWJDHDCTWST-LLVKDONJSA-N -1 3 364.387 -0.902 20 0 FBADHM O=C1COC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCN12 ZINC001185588843 840497704 /nfs/dbraw/zinc/49/77/04/840497704.db2.gz ZTCSWJDHDCTWST-NSHDSACASA-N -1 3 364.387 -0.902 20 0 FBADHM O=C1COC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCN12 ZINC001185588843 840497703 /nfs/dbraw/zinc/49/77/03/840497703.db2.gz ZTCSWJDHDCTWST-NSHDSACASA-N -1 3 364.387 -0.902 20 0 FBADHM CN(C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1)[C@@H]1CCOC1 ZINC001185588893 840497619 /nfs/dbraw/zinc/49/76/19/840497619.db2.gz IGFVNKSFBCBMBH-GFCCVEGCSA-N -1 3 364.431 -0.040 20 0 FBADHM CN(C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1)[C@@H]1CCOC1 ZINC001185588893 840497617 /nfs/dbraw/zinc/49/76/17/840497617.db2.gz IGFVNKSFBCBMBH-GFCCVEGCSA-N -1 3 364.431 -0.040 20 0 FBADHM CN(C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1)[C@H]1CCOC1 ZINC001185588894 840497730 /nfs/dbraw/zinc/49/77/30/840497730.db2.gz IGFVNKSFBCBMBH-LBPRGKRZSA-N -1 3 364.431 -0.040 20 0 FBADHM CN(C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1)[C@H]1CCOC1 ZINC001185588894 840497728 /nfs/dbraw/zinc/49/77/28/840497728.db2.gz IGFVNKSFBCBMBH-LBPRGKRZSA-N -1 3 364.431 -0.040 20 0 FBADHM CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185588964 840497535 /nfs/dbraw/zinc/49/75/35/840497535.db2.gz JZMNHWYQZHHELF-LLVKDONJSA-N -1 3 357.417 -0.326 20 0 FBADHM CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185588964 840497528 /nfs/dbraw/zinc/49/75/28/840497528.db2.gz JZMNHWYQZHHELF-LLVKDONJSA-N -1 3 357.417 -0.326 20 0 FBADHM CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185588967 840497647 /nfs/dbraw/zinc/49/76/47/840497647.db2.gz JZMNHWYQZHHELF-NSHDSACASA-N -1 3 357.417 -0.326 20 0 FBADHM CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185588967 840497644 /nfs/dbraw/zinc/49/76/44/840497644.db2.gz JZMNHWYQZHHELF-NSHDSACASA-N -1 3 357.417 -0.326 20 0 FBADHM COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185589194 840497600 /nfs/dbraw/zinc/49/76/00/840497600.db2.gz PSADRUDIOVHDPC-UHFFFAOYSA-N -1 3 369.359 -0.797 20 0 FBADHM COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185589194 840497597 /nfs/dbraw/zinc/49/75/97/840497597.db2.gz PSADRUDIOVHDPC-UHFFFAOYSA-N -1 3 369.359 -0.797 20 0 FBADHM CN(C1COC1)C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185589452 840497640 /nfs/dbraw/zinc/49/76/40/840497640.db2.gz YAFTVRMXSNQHSY-UHFFFAOYSA-N -1 3 350.404 -0.430 20 0 FBADHM CN(C1COC1)C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185589452 840497637 /nfs/dbraw/zinc/49/76/37/840497637.db2.gz YAFTVRMXSNQHSY-UHFFFAOYSA-N -1 3 350.404 -0.430 20 0 FBADHM CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185591593 840497569 /nfs/dbraw/zinc/49/75/69/840497569.db2.gz DQVCPTPHMNJSNI-NSHDSACASA-N -1 3 365.419 -0.051 20 0 FBADHM CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185591593 840497562 /nfs/dbraw/zinc/49/75/62/840497562.db2.gz DQVCPTPHMNJSNI-NSHDSACASA-N -1 3 365.419 -0.051 20 0 FBADHM COC(=O)[C@H]1CN(C)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185591869 840496855 /nfs/dbraw/zinc/49/68/55/840496855.db2.gz FYVAVYRYLIUMHW-GFCCVEGCSA-N -1 3 366.403 -0.656 20 0 FBADHM COC(=O)[C@H]1CN(C)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185591869 840496842 /nfs/dbraw/zinc/49/68/42/840496842.db2.gz FYVAVYRYLIUMHW-GFCCVEGCSA-N -1 3 366.403 -0.656 20 0 FBADHM COC(=O)[C@@H]1CN(C)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185591872 840497718 /nfs/dbraw/zinc/49/77/18/840497718.db2.gz FYVAVYRYLIUMHW-LBPRGKRZSA-N -1 3 366.403 -0.656 20 0 FBADHM COC(=O)[C@@H]1CN(C)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185591872 840497715 /nfs/dbraw/zinc/49/77/15/840497715.db2.gz FYVAVYRYLIUMHW-LBPRGKRZSA-N -1 3 366.403 -0.656 20 0 FBADHM O=C1NCC2(CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)N1 ZINC001185592298 840497421 /nfs/dbraw/zinc/49/74/21/840497421.db2.gz JJVOZEAVQOJNQH-UHFFFAOYSA-N -1 3 363.403 -0.297 20 0 FBADHM O=C1NCC2(CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)N1 ZINC001185592298 840497415 /nfs/dbraw/zinc/49/74/15/840497415.db2.gz JJVOZEAVQOJNQH-UHFFFAOYSA-N -1 3 363.403 -0.297 20 0 FBADHM COC(=O)[C@]1(C)COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185592971 840497550 /nfs/dbraw/zinc/49/75/50/840497550.db2.gz OHDSIFUTFQQVLY-AWEZNQCLSA-N -1 3 367.387 -0.181 20 0 FBADHM COC(=O)[C@]1(C)COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185592971 840497545 /nfs/dbraw/zinc/49/75/45/840497545.db2.gz OHDSIFUTFQQVLY-AWEZNQCLSA-N -1 3 367.387 -0.181 20 0 FBADHM COC(=O)[C@@]1(C)COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185592973 840497446 /nfs/dbraw/zinc/49/74/46/840497446.db2.gz OHDSIFUTFQQVLY-CQSZACIVSA-N -1 3 367.387 -0.181 20 0 FBADHM COC(=O)[C@@]1(C)COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185592973 840497440 /nfs/dbraw/zinc/49/74/40/840497440.db2.gz OHDSIFUTFQQVLY-CQSZACIVSA-N -1 3 367.387 -0.181 20 0 FBADHM CNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185592982 840496999 /nfs/dbraw/zinc/49/69/99/840496999.db2.gz OMLABWQXKZVBDF-UHFFFAOYSA-N -1 3 351.392 -0.488 20 0 FBADHM CNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185592982 840496993 /nfs/dbraw/zinc/49/69/93/840496993.db2.gz OMLABWQXKZVBDF-UHFFFAOYSA-N -1 3 351.392 -0.488 20 0 FBADHM CCOC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185593020 840497737 /nfs/dbraw/zinc/49/77/37/840497737.db2.gz PGHVHSABEROQNO-GFCCVEGCSA-N -1 3 367.387 -0.181 20 0 FBADHM CCOC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185593020 840497735 /nfs/dbraw/zinc/49/77/35/840497735.db2.gz PGHVHSABEROQNO-GFCCVEGCSA-N -1 3 367.387 -0.181 20 0 FBADHM CCOC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185593021 840497765 /nfs/dbraw/zinc/49/77/65/840497765.db2.gz PGHVHSABEROQNO-LBPRGKRZSA-N -1 3 367.387 -0.181 20 0 FBADHM CCOC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185593021 840497763 /nfs/dbraw/zinc/49/77/63/840497763.db2.gz PGHVHSABEROQNO-LBPRGKRZSA-N -1 3 367.387 -0.181 20 0 FBADHM CNC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185593792 840497484 /nfs/dbraw/zinc/49/74/84/840497484.db2.gz VMNQVJJKBPFQDG-UHFFFAOYSA-N -1 3 365.419 -0.051 20 0 FBADHM CNC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185593792 840497477 /nfs/dbraw/zinc/49/74/77/840497477.db2.gz VMNQVJJKBPFQDG-UHFFFAOYSA-N -1 3 365.419 -0.051 20 0 FBADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC001185594177 840497711 /nfs/dbraw/zinc/49/77/11/840497711.db2.gz ZHBHXJKDYXYXML-GFCCVEGCSA-N -1 3 367.387 -0.181 20 0 FBADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCO1 ZINC001185594177 840497708 /nfs/dbraw/zinc/49/77/08/840497708.db2.gz ZHBHXJKDYXYXML-GFCCVEGCSA-N -1 3 367.387 -0.181 20 0 FBADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC001185594178 840497288 /nfs/dbraw/zinc/49/72/88/840497288.db2.gz ZHBHXJKDYXYXML-LBPRGKRZSA-N -1 3 367.387 -0.181 20 0 FBADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCO1 ZINC001185594178 840497281 /nfs/dbraw/zinc/49/72/81/840497281.db2.gz ZHBHXJKDYXYXML-LBPRGKRZSA-N -1 3 367.387 -0.181 20 0 FBADHM COC(=O)CO[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185597051 840497383 /nfs/dbraw/zinc/49/73/83/840497383.db2.gz FSFXHBSXQVFVKO-NSHDSACASA-N -1 3 367.387 -0.181 20 0 FBADHM COC(=O)CO[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185597051 840497376 /nfs/dbraw/zinc/49/73/76/840497376.db2.gz FSFXHBSXQVFVKO-NSHDSACASA-N -1 3 367.387 -0.181 20 0 FBADHM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC001185613014 840497661 /nfs/dbraw/zinc/49/76/61/840497661.db2.gz FRAIYZJOMJKSBV-JTQLQIEISA-N -1 3 369.359 -0.750 20 0 FBADHM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC001185613014 840497659 /nfs/dbraw/zinc/49/76/59/840497659.db2.gz FRAIYZJOMJKSBV-JTQLQIEISA-N -1 3 369.359 -0.750 20 0 FBADHM NC(=O)C1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001185613329 840496967 /nfs/dbraw/zinc/49/69/67/840496967.db2.gz KCXXIRZGDAJDDA-UHFFFAOYSA-N -1 3 366.403 -0.573 20 0 FBADHM NC(=O)C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001185613329 840496956 /nfs/dbraw/zinc/49/69/56/840496956.db2.gz KCXXIRZGDAJDDA-UHFFFAOYSA-N -1 3 366.403 -0.573 20 0 FBADHM CCOC(=O)CC1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)COC1 ZINC001185620258 840500267 /nfs/dbraw/zinc/50/02/67/840500267.db2.gz BHPAFMHUMVDHRI-UHFFFAOYSA-N -1 3 367.387 -0.133 20 0 FBADHM CCOC(=O)CC1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)COC1 ZINC001185620258 840500256 /nfs/dbraw/zinc/50/02/56/840500256.db2.gz BHPAFMHUMVDHRI-UHFFFAOYSA-N -1 3 367.387 -0.133 20 0 FBADHM O=S(=O)(NCCOCCOCCO)c1ccc(-c2nn[n-]n2)cc1 ZINC001185620475 840500474 /nfs/dbraw/zinc/50/04/74/840500474.db2.gz HJLIIWZKBAMMKP-UHFFFAOYSA-N -1 3 357.392 -0.830 20 0 FBADHM O=S(=O)(NCCOCCOCCO)c1ccc(-c2nnn[n-]2)cc1 ZINC001185620475 840500469 /nfs/dbraw/zinc/50/04/69/840500469.db2.gz HJLIIWZKBAMMKP-UHFFFAOYSA-N -1 3 357.392 -0.830 20 0 FBADHM O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185620505 840500552 /nfs/dbraw/zinc/50/05/52/840500552.db2.gz JIXVCYIWIKRASS-SECBINFHSA-N -1 3 357.417 -0.420 20 0 FBADHM O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185620505 840500547 /nfs/dbraw/zinc/50/05/47/840500547.db2.gz JIXVCYIWIKRASS-SECBINFHSA-N -1 3 357.417 -0.420 20 0 FBADHM O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185620506 840500636 /nfs/dbraw/zinc/50/06/36/840500636.db2.gz JIXVCYIWIKRASS-VIFPVBQESA-N -1 3 357.417 -0.420 20 0 FBADHM O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185620506 840500629 /nfs/dbraw/zinc/50/06/29/840500629.db2.gz JIXVCYIWIKRASS-VIFPVBQESA-N -1 3 357.417 -0.420 20 0 FBADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)O ZINC001185620511 840500351 /nfs/dbraw/zinc/50/03/51/840500351.db2.gz JTMPTVULCKUFLI-KCJUWKMLSA-N -1 3 355.376 -0.543 20 0 FBADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)O ZINC001185620511 840500338 /nfs/dbraw/zinc/50/03/38/840500338.db2.gz JTMPTVULCKUFLI-KCJUWKMLSA-N -1 3 355.376 -0.543 20 0 FBADHM CS(=O)(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185620624 840500410 /nfs/dbraw/zinc/50/04/10/840500410.db2.gz KMJGCJCUNQNVNY-HOMQSWHASA-N -1 3 357.417 -0.279 20 0 FBADHM CS(=O)(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185620624 840500400 /nfs/dbraw/zinc/50/04/00/840500400.db2.gz KMJGCJCUNQNVNY-HOMQSWHASA-N -1 3 357.417 -0.279 20 0 FBADHM CS(=O)(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185620625 840501214 /nfs/dbraw/zinc/50/12/14/840501214.db2.gz KMJGCJCUNQNVNY-JGZJWPJOSA-N -1 3 357.417 -0.279 20 0 FBADHM CS(=O)(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185620625 840501208 /nfs/dbraw/zinc/50/12/08/840501208.db2.gz KMJGCJCUNQNVNY-JGZJWPJOSA-N -1 3 357.417 -0.279 20 0 FBADHM O=S(=O)(NCCN1CCC(O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185620662 840500845 /nfs/dbraw/zinc/50/08/45/840500845.db2.gz LXBGPRXMCPHKNH-UHFFFAOYSA-N -1 3 352.420 -0.398 20 0 FBADHM O=S(=O)(NCCN1CCC(O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185620662 840500835 /nfs/dbraw/zinc/50/08/35/840500835.db2.gz LXBGPRXMCPHKNH-UHFFFAOYSA-N -1 3 352.420 -0.398 20 0 FBADHM O=S(=O)(N[C@@H]1COCCC12OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC001185620669 840500293 /nfs/dbraw/zinc/50/02/93/840500293.db2.gz MEDASBBJBJTGIK-GFCCVEGCSA-N -1 3 367.387 -0.323 20 0 FBADHM O=S(=O)(N[C@@H]1COCCC12OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC001185620669 840500282 /nfs/dbraw/zinc/50/02/82/840500282.db2.gz MEDASBBJBJTGIK-GFCCVEGCSA-N -1 3 367.387 -0.323 20 0 FBADHM O=S(=O)(N[C@H]1COCCC12OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC001185620670 840500230 /nfs/dbraw/zinc/50/02/30/840500230.db2.gz MEDASBBJBJTGIK-LBPRGKRZSA-N -1 3 367.387 -0.323 20 0 FBADHM O=S(=O)(N[C@H]1COCCC12OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC001185620670 840500225 /nfs/dbraw/zinc/50/02/25/840500225.db2.gz MEDASBBJBJTGIK-LBPRGKRZSA-N -1 3 367.387 -0.323 20 0 FBADHM CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185620974 840501166 /nfs/dbraw/zinc/50/11/66/840501166.db2.gz OSRYFXWLTNGIFN-UHFFFAOYSA-N -1 3 360.421 -0.964 20 0 FBADHM CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185620974 840501159 /nfs/dbraw/zinc/50/11/59/840501159.db2.gz OSRYFXWLTNGIFN-UHFFFAOYSA-N -1 3 360.421 -0.964 20 0 FBADHM O=S(=O)(N[C@H]1CCN(C2COC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185621033 840500861 /nfs/dbraw/zinc/50/08/61/840500861.db2.gz RHSZSKVPQJHHSJ-NSHDSACASA-N -1 3 350.404 -0.382 20 0 FBADHM O=S(=O)(N[C@H]1CCN(C2COC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185621033 840500856 /nfs/dbraw/zinc/50/08/56/840500856.db2.gz RHSZSKVPQJHHSJ-NSHDSACASA-N -1 3 350.404 -0.382 20 0 FBADHM O=S(=O)(NC1CC2(C1)CS(=O)(=O)C2)c1ccc(-c2nn[n-]n2)cc1 ZINC001185621053 840500506 /nfs/dbraw/zinc/50/05/06/840500506.db2.gz SHOWPJZBHLSSAF-UHFFFAOYSA-N -1 3 369.428 -0.278 20 0 FBADHM O=S(=O)(NC1CC2(C1)CS(=O)(=O)C2)c1ccc(-c2nnn[n-]2)cc1 ZINC001185621053 840500504 /nfs/dbraw/zinc/50/05/04/840500504.db2.gz SHOWPJZBHLSSAF-UHFFFAOYSA-N -1 3 369.428 -0.278 20 0 FBADHM COC(=O)CCC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185621063 840500767 /nfs/dbraw/zinc/50/07/67/840500767.db2.gz SUXSPSGKLYYVBW-UHFFFAOYSA-N -1 3 353.360 -0.333 20 0 FBADHM COC(=O)CCC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185621063 840500760 /nfs/dbraw/zinc/50/07/60/840500760.db2.gz SUXSPSGKLYYVBW-UHFFFAOYSA-N -1 3 353.360 -0.333 20 0 FBADHM O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185621658 840500377 /nfs/dbraw/zinc/50/03/77/840500377.db2.gz CVXNLCFMKUHWNS-UHFFFAOYSA-N -1 3 357.417 -0.278 20 0 FBADHM O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185621658 840500367 /nfs/dbraw/zinc/50/03/67/840500367.db2.gz CVXNLCFMKUHWNS-UHFFFAOYSA-N -1 3 357.417 -0.278 20 0 FBADHM COCCOCCOCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185621703 840500536 /nfs/dbraw/zinc/50/05/36/840500536.db2.gz GIZHRSQSZBPRBL-UHFFFAOYSA-N -1 3 371.419 -0.175 20 0 FBADHM COCCOCCOCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185621703 840500530 /nfs/dbraw/zinc/50/05/30/840500530.db2.gz GIZHRSQSZBPRBL-UHFFFAOYSA-N -1 3 371.419 -0.175 20 0 FBADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC001185622140 840500702 /nfs/dbraw/zinc/50/07/02/840500702.db2.gz JDSGXFHMJMFEKP-UHFFFAOYSA-N -1 3 352.376 -0.996 20 0 FBADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCOCC1 ZINC001185622140 840500695 /nfs/dbraw/zinc/50/06/95/840500695.db2.gz JDSGXFHMJMFEKP-UHFFFAOYSA-N -1 3 352.376 -0.996 20 0 FBADHM Cn1c(=O)cc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)c1=O ZINC001185623058 840500893 /nfs/dbraw/zinc/50/08/93/840500893.db2.gz XQHSBIHIMWTMBU-UHFFFAOYSA-N -1 3 363.359 -0.935 20 0 FBADHM Cn1c(=O)cc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C)c1=O ZINC001185623058 840500880 /nfs/dbraw/zinc/50/08/80/840500880.db2.gz XQHSBIHIMWTMBU-UHFFFAOYSA-N -1 3 363.359 -0.935 20 0 FBADHM CCOC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)O ZINC001185623551 840501107 /nfs/dbraw/zinc/50/11/07/840501107.db2.gz JTMPTVULCKUFLI-LDYMZIIASA-N -1 3 355.376 -0.543 20 0 FBADHM CCOC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)O ZINC001185623551 840501098 /nfs/dbraw/zinc/50/10/98/840501098.db2.gz JTMPTVULCKUFLI-LDYMZIIASA-N -1 3 355.376 -0.543 20 0 FBADHM O=S(=O)(NC1CN(c2cnccn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185623583 840500683 /nfs/dbraw/zinc/50/06/83/840500683.db2.gz KZAXTHXKYGXHAD-UHFFFAOYSA-N -1 3 358.387 -0.176 20 0 FBADHM O=S(=O)(NC1CN(c2cnccn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185623583 840500675 /nfs/dbraw/zinc/50/06/75/840500675.db2.gz KZAXTHXKYGXHAD-UHFFFAOYSA-N -1 3 358.387 -0.176 20 0 FBADHM C[C@@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC(=O)NC1=O ZINC001185624189 840500973 /nfs/dbraw/zinc/50/09/73/840500973.db2.gz QMOBKMYILDDIMD-CYBMUJFWSA-N -1 3 350.360 -0.660 20 0 FBADHM C[C@@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC(=O)NC1=O ZINC001185624189 840500969 /nfs/dbraw/zinc/50/09/69/840500969.db2.gz QMOBKMYILDDIMD-CYBMUJFWSA-N -1 3 350.360 -0.660 20 0 FBADHM C[C@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC(=O)NC1=O ZINC001185624190 840501077 /nfs/dbraw/zinc/50/10/77/840501077.db2.gz QMOBKMYILDDIMD-ZDUSSCGKSA-N -1 3 350.360 -0.660 20 0 FBADHM C[C@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC(=O)NC1=O ZINC001185624190 840501066 /nfs/dbraw/zinc/50/10/66/840501066.db2.gz QMOBKMYILDDIMD-ZDUSSCGKSA-N -1 3 350.360 -0.660 20 0 FBADHM CC(C)(C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185624234 840501026 /nfs/dbraw/zinc/50/10/26/840501026.db2.gz QULFUJITWCBAKJ-NSHDSACASA-N -1 3 369.403 -0.152 20 0 FBADHM CC(C)(C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185624234 840501018 /nfs/dbraw/zinc/50/10/18/840501018.db2.gz QULFUJITWCBAKJ-NSHDSACASA-N -1 3 369.403 -0.152 20 0 FBADHM O=S(=O)(NC1CN(c2ncccn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185624273 840500582 /nfs/dbraw/zinc/50/05/82/840500582.db2.gz RCINJNGFZLPJPZ-UHFFFAOYSA-N -1 3 358.387 -0.176 20 0 FBADHM O=S(=O)(NC1CN(c2ncccn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185624273 840500580 /nfs/dbraw/zinc/50/05/80/840500580.db2.gz RCINJNGFZLPJPZ-UHFFFAOYSA-N -1 3 358.387 -0.176 20 0 FBADHM C[C@@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCS(=O)(=O)C1 ZINC001185624345 840500795 /nfs/dbraw/zinc/50/07/95/840500795.db2.gz RWOVVABUQORGOF-GFCCVEGCSA-N -1 3 357.417 -0.278 20 0 FBADHM C[C@@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCS(=O)(=O)C1 ZINC001185624345 840500790 /nfs/dbraw/zinc/50/07/90/840500790.db2.gz RWOVVABUQORGOF-GFCCVEGCSA-N -1 3 357.417 -0.278 20 0 FBADHM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185628272 840497195 /nfs/dbraw/zinc/49/71/95/840497195.db2.gz KHVXAWFDNRJDRN-JTQLQIEISA-N -1 3 372.432 -0.821 20 0 FBADHM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185628272 840497190 /nfs/dbraw/zinc/49/71/90/840497190.db2.gz KHVXAWFDNRJDRN-JTQLQIEISA-N -1 3 372.432 -0.821 20 0 FBADHM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185628273 840497671 /nfs/dbraw/zinc/49/76/71/840497671.db2.gz KHVXAWFDNRJDRN-SNVBAGLBSA-N -1 3 372.432 -0.821 20 0 FBADHM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185628273 840497667 /nfs/dbraw/zinc/49/76/67/840497667.db2.gz KHVXAWFDNRJDRN-SNVBAGLBSA-N -1 3 372.432 -0.821 20 0 FBADHM COC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001185628292 840498894 /nfs/dbraw/zinc/49/88/94/840498894.db2.gz KUMCJALWFPPFEK-UHFFFAOYSA-N -1 3 367.387 -0.133 20 0 FBADHM COC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001185628292 840498889 /nfs/dbraw/zinc/49/88/89/840498889.db2.gz KUMCJALWFPPFEK-UHFFFAOYSA-N -1 3 367.387 -0.133 20 0 FBADHM CSCC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC001185628711 840498573 /nfs/dbraw/zinc/49/85/73/840498573.db2.gz VCUNWUSJRRXKLZ-JTQLQIEISA-N -1 3 356.433 -0.248 20 0 FBADHM CSCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC001185628711 840498571 /nfs/dbraw/zinc/49/85/71/840498571.db2.gz VCUNWUSJRRXKLZ-JTQLQIEISA-N -1 3 356.433 -0.248 20 0 FBADHM O=S(=O)(NCCN1CCC[C@@H](O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628851 840498417 /nfs/dbraw/zinc/49/84/17/840498417.db2.gz XQDXXTDAGVNEMG-GFCCVEGCSA-N -1 3 352.420 -0.398 20 0 FBADHM O=S(=O)(NCCN1CCC[C@@H](O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628851 840498411 /nfs/dbraw/zinc/49/84/11/840498411.db2.gz XQDXXTDAGVNEMG-GFCCVEGCSA-N -1 3 352.420 -0.398 20 0 FBADHM O=S(=O)(NCCN1CCC[C@H](O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628852 840498267 /nfs/dbraw/zinc/49/82/67/840498267.db2.gz XQDXXTDAGVNEMG-LBPRGKRZSA-N -1 3 352.420 -0.398 20 0 FBADHM O=S(=O)(NCCN1CCC[C@H](O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628852 840498258 /nfs/dbraw/zinc/49/82/58/840498258.db2.gz XQDXXTDAGVNEMG-LBPRGKRZSA-N -1 3 352.420 -0.398 20 0 FBADHM O=S(=O)(NCCN1CC2(COC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628985 840498748 /nfs/dbraw/zinc/49/87/48/840498748.db2.gz YYXLZBZTUYJZNQ-UHFFFAOYSA-N -1 3 350.404 -0.523 20 0 FBADHM O=S(=O)(NCCN1CC2(COC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628985 840498743 /nfs/dbraw/zinc/49/87/43/840498743.db2.gz YYXLZBZTUYJZNQ-UHFFFAOYSA-N -1 3 350.404 -0.523 20 0 FBADHM CNC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185631537 840498719 /nfs/dbraw/zinc/49/87/19/840498719.db2.gz KOVBYYXBFFGSQL-UHFFFAOYSA-N -1 3 365.419 -0.051 20 0 FBADHM CNC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185631537 840498713 /nfs/dbraw/zinc/49/87/13/840498713.db2.gz KOVBYYXBFFGSQL-UHFFFAOYSA-N -1 3 365.419 -0.051 20 0 FBADHM O=S(=O)(NC1CN(c2ccncn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185637468 840498926 /nfs/dbraw/zinc/49/89/26/840498926.db2.gz BYOHKSLXAVEUNI-UHFFFAOYSA-N -1 3 358.387 -0.176 20 0 FBADHM O=S(=O)(NC1CN(c2ccncn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185637468 840498922 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FBADHM COc1ccc(CN2CC[C@H]([N-]S(=O)(=O)c3nncn3C)C2=O)cc1 ZINC001186962126 840544802 /nfs/dbraw/zinc/54/48/02/840544802.db2.gz YTCIDHLLPGSGPA-ZDUSSCGKSA-N -1 3 365.415 -0.097 20 0 FBADHM O=C(NCCCN1CCS(=O)(=O)CC1)c1ccccc1-c1nn[n-]n1 ZINC001187008489 840545093 /nfs/dbraw/zinc/54/50/93/840545093.db2.gz OHQHMNGGZJKIAC-UHFFFAOYSA-N -1 3 364.431 -0.283 20 0 FBADHM O=C(NCCCN1CCS(=O)(=O)CC1)c1ccccc1-c1nnn[n-]1 ZINC001187008489 840545084 /nfs/dbraw/zinc/54/50/84/840545084.db2.gz OHQHMNGGZJKIAC-UHFFFAOYSA-N -1 3 364.431 -0.283 20 0 FBADHM C[C@@H](C(=O)NCC[N-]C(=O)C(F)(F)Br)N1CCOCC1 ZINC001187176954 840551959 /nfs/dbraw/zinc/55/19/59/840551959.db2.gz VIPQZJRPSNQZAX-QMMMGPOBSA-N -1 3 358.183 -0.073 20 0 FBADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@H](O)COCC1CC1 ZINC001187283716 840555755 /nfs/dbraw/zinc/55/57/55/840555755.db2.gz WZDAVFBHOQQMKG-LLVKDONJSA-N -1 3 361.420 -0.039 20 0 FBADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@H](O)COCC1CC1 ZINC001187283720 840555904 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FBADHM COCCOCCOCCOCC[N-]S(=O)(=O)c1cnoc1C ZINC001187400625 840563674 /nfs/dbraw/zinc/56/36/74/840563674.db2.gz IFPQTWHFPIQCCT-UHFFFAOYSA-N -1 3 352.409 -0.042 20 0 FBADHM Cc1oncc1S(=O)(=O)[N-]CC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001187421120 840563971 /nfs/dbraw/zinc/56/39/71/840563971.db2.gz OITWZOWSCPAQCM-LBPRGKRZSA-N -1 3 366.399 -0.526 20 0 FBADHM Cc1oncc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)NCC(N)=O ZINC001187421450 840563595 /nfs/dbraw/zinc/56/35/95/840563595.db2.gz UXUCDTQGPMPAHU-LBPRGKRZSA-N -1 3 366.399 -0.526 20 0 FBADHM COC[C@H](CS(=O)(=O)[N-][C@H]1CCCN(c2ccn(C)n2)C1=O)OC ZINC001187422922 840562914 /nfs/dbraw/zinc/56/29/14/840562914.db2.gz GVYMLKNEBRJTKB-NEPJUHHUSA-N -1 3 360.436 -0.504 20 0 FBADHM COC[C@@H](CS(=O)(=O)[N-][C@@H]1CCCN(c2ccn(C)n2)C1=O)OC ZINC001187422924 840564011 /nfs/dbraw/zinc/56/40/11/840564011.db2.gz GVYMLKNEBRJTKB-NWDGAFQWSA-N -1 3 360.436 -0.504 20 0 FBADHM COC[C@@H](CS(=O)(=O)[N-][C@H]1CCCN(c2ccn(C)n2)C1=O)OC ZINC001187422925 840563922 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CCCC[C@@H](C(N)=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001212446204 837524637 /nfs/dbraw/zinc/52/46/37/837524637.db2.gz KVNGQAXYCXQIOD-FRRDWIJNSA-N -1 3 351.407 -0.345 20 0 FBADHM CCCC[C@H](C(N)=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001212446205 837524926 /nfs/dbraw/zinc/52/49/26/837524926.db2.gz KVNGQAXYCXQIOD-JHJVBQTASA-N -1 3 351.407 -0.345 20 0 FBADHM CO[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001212446389 837525684 /nfs/dbraw/zinc/52/56/84/837525684.db2.gz TYCSZQODTTUXLC-VXGBXAGGSA-N -1 3 358.420 -0.954 20 0 FBADHM CO[C@@H]1CN(CC(=O)NCC(C)C)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001212446560 837525696 /nfs/dbraw/zinc/52/56/96/837525696.db2.gz VYMAIFCRBRSFSV-CHWSQXEVSA-N -1 3 351.407 -0.617 20 0 FBADHM CCOC(=O)C1(S(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)CCC1 ZINC001212460047 837533891 /nfs/dbraw/zinc/53/38/91/837533891.db2.gz MOYBONSZILIBRP-CYBMUJFWSA-N -1 3 351.421 -0.440 20 0 FBADHM CCOC(=O)C1(S(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)CCC1 ZINC001212460051 837533723 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357.411 -0.680 20 0 FBADHM CO[C@H](C)CN1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H](OC)C1 ZINC001212496063 837550854 /nfs/dbraw/zinc/55/08/54/837550854.db2.gz XJVIHSUJZYLXCA-IJLUTSLNSA-N -1 3 357.411 -0.680 20 0 FBADHM CO[C@@H](C)CN1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H](OC)C1 ZINC001212496064 837550350 /nfs/dbraw/zinc/55/03/50/837550350.db2.gz XJVIHSUJZYLXCA-QJPTWQEYSA-N -1 3 357.411 -0.680 20 0 FBADHM CO[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1NC(=O)CCc1c(C)nc[n-]c1=O ZINC001212503063 837555744 /nfs/dbraw/zinc/55/57/44/837555744.db2.gz WXRWHEKJRKAWPV-CYZMBNFOSA-N -1 3 351.407 -0.888 20 0 FBADHM CO[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1NC(=O)CCc1c(C)nc[n-]c1=O ZINC001212503064 837555191 /nfs/dbraw/zinc/55/51/91/837555191.db2.gz WXRWHEKJRKAWPV-RAIGVLPGSA-N -1 3 351.407 -0.888 20 0 FBADHM CO[C@@H]1CN(CC[C@H](C)F)C[C@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001212510146 837559880 /nfs/dbraw/zinc/55/98/80/837559880.db2.gz XMCQDJLUZUEPGQ-MVWJERBFSA-N -1 3 357.386 -0.221 20 0 FBADHM CO[C@@H]1CN(CC[C@@H](C)F)C[C@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001212510147 837559778 /nfs/dbraw/zinc/55/97/78/837559778.db2.gz XMCQDJLUZUEPGQ-YUSALJHKSA-N -1 3 357.386 -0.221 20 0 FBADHM COCCCN1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001212510155 837560227 /nfs/dbraw/zinc/56/02/27/837560227.db2.gz XUVYBAZONBCJNZ-VXGBXAGGSA-N -1 3 355.395 -0.933 20 0 FBADHM COCCCCCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001213126756 844242638 /nfs/dbraw/zinc/24/26/38/844242638.db2.gz IVOHIWYNROMGAO-GHMZBOCLSA-N -1 3 355.395 -0.472 20 0 FBADHM CO[C@@H]1CN(CCCOC(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001213127001 844243005 /nfs/dbraw/zinc/24/30/05/844243005.db2.gz NBAIGBKUFKAEMR-GHMZBOCLSA-N -1 3 355.395 -0.473 20 0 FBADHM COC(=O)c1cc(S(=O)(=O)N2CC(CN3CCN(C)CC3)C2)[n-]n1 ZINC001213162873 844247712 /nfs/dbraw/zinc/24/77/12/844247712.db2.gz ZTWBIHHRBXGVRH-UHFFFAOYSA-N -1 3 357.436 -0.936 20 0 FBADHM NS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC001213167344 844249601 /nfs/dbraw/zinc/24/96/01/844249601.db2.gz RGNNXJVMEUVPLU-UHFFFAOYSA-N -1 3 372.831 -0.180 20 0 FBADHM CO[C@@H]1CN(CCC[C@H](C)O)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001213252054 844264723 /nfs/dbraw/zinc/26/47/23/844264723.db2.gz CIIOXPQSFUOYKW-CYZMBNFOSA-N -1 3 354.407 -0.924 20 0 FBADHM CO[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001213252056 844265002 /nfs/dbraw/zinc/26/50/02/844265002.db2.gz CIIOXPQSFUOYKW-RAIGVLPGSA-N -1 3 354.407 -0.924 20 0 FBADHM COCCCCN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](OC)C1 ZINC001213252081 844264874 /nfs/dbraw/zinc/26/48/74/844264874.db2.gz CUJPWEDUXINUMC-CHWSQXEVSA-N -1 3 354.407 -0.659 20 0 FBADHM CCOCCCN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](OC)C1 ZINC001213253083 844264660 /nfs/dbraw/zinc/26/46/60/844264660.db2.gz ZECYNYQITKAWFI-CHWSQXEVSA-N -1 3 354.407 -0.659 20 0 FBADHM Cn1ncc(S(=O)(=O)[N-]C2CC(CO)(CO)C2)c1Br ZINC001213293334 844271700 /nfs/dbraw/zinc/27/17/00/844271700.db2.gz NPBKJMOJJYBWHI-UHFFFAOYSA-N -1 3 354.226 -0.406 20 0 FBADHM COCCOCCN1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001213317218 844274468 /nfs/dbraw/zinc/27/44/68/844274468.db2.gz AJQQBPPGTGZSSU-CHWSQXEVSA-N -1 3 354.407 -0.417 20 0 FBADHM CCN(C)C(=O)CN1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001213317661 844273814 /nfs/dbraw/zinc/27/38/14/844273814.db2.gz SALOUEDTTBOBDO-VXGBXAGGSA-N -1 3 351.407 -0.602 20 0 FBADHM CCCNC(=O)CN1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001213317680 844274197 /nfs/dbraw/zinc/27/41/97/844274197.db2.gz SKYJZGCQIQUEPK-VXGBXAGGSA-N -1 3 351.407 -0.554 20 0 FBADHM CO[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001213317743 844274297 /nfs/dbraw/zinc/27/42/97/844274297.db2.gz UWPPBVKBHQVTND-VXGBXAGGSA-N -1 3 351.407 -0.556 20 0 FBADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1F ZINC001213325136 844275694 /nfs/dbraw/zinc/27/56/94/844275694.db2.gz ZQKZAWAZILUOGA-MNOVXSKESA-N -1 3 354.381 -0.765 20 0 FBADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCn1cnccc1=O ZINC001213353938 844281947 /nfs/dbraw/zinc/28/19/47/844281947.db2.gz LTLDDHXUEPQOOC-UHFFFAOYSA-N -1 3 355.376 -0.570 20 0 FBADHM COC1(OC)CCCC[C@H]1[N-]S(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC001213402273 844289828 /nfs/dbraw/zinc/28/98/28/844289828.db2.gz SHWFGGBNDRENPR-GFCCVEGCSA-N -1 3 370.493 -0.271 20 0 FBADHM COC1(OC)CCCC[C@@H]1[N-]S(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC001213402274 844289223 /nfs/dbraw/zinc/28/92/23/844289223.db2.gz SHWFGGBNDRENPR-LBPRGKRZSA-N -1 3 370.493 -0.271 20 0 FBADHM C[S@](=O)(=NS(=O)(=O)[N-]C1CCN(CC(N)=O)CC1)c1ccccc1 ZINC001213402483 844289738 /nfs/dbraw/zinc/28/97/38/844289738.db2.gz WKMPQOOZZGGTFT-HSZRJFAPSA-N -1 3 374.488 -0.073 20 0 FBADHM C[S@@](=O)(=NS(=O)(=O)[N-]C1CCN(CC(N)=O)CC1)c1ccccc1 ZINC001213402484 844289696 /nfs/dbraw/zinc/28/96/96/844289696.db2.gz WKMPQOOZZGGTFT-QHCPKHFHSA-N -1 3 374.488 -0.073 20 0 FBADHM O=S(=O)([N-][C@@H]1CS(=O)(=O)C[C@H]1O)c1cnc(Cl)c(Cl)c1 ZINC001213407800 836037900 /nfs/dbraw/zinc/03/79/00/836037900.db2.gz AZXQTLHIBDPBLA-HTQZYQBOSA-N -1 3 361.228 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/nfs/dbraw/zinc/08/11/41/846081141.db2.gz ACXUDENNRLTZCB-STQMWFEESA-N -1 3 356.400 -0.175 20 0 FBADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)C[C@H]1N ZINC001239135051 846081500 /nfs/dbraw/zinc/08/15/00/846081500.db2.gz LPSNQHLIGGWVMM-GHMZBOCLSA-N -1 3 358.372 -0.486 20 0 FBADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)C[C@@H]1N ZINC001239135054 846081689 /nfs/dbraw/zinc/08/16/89/846081689.db2.gz LPSNQHLIGGWVMM-MNOVXSKESA-N -1 3 358.372 -0.486 20 0 FBADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)C[C@@H]1N ZINC001239135056 846081743 /nfs/dbraw/zinc/08/17/43/846081743.db2.gz LPSNQHLIGGWVMM-QWRGUYRKSA-N -1 3 358.372 -0.486 20 0 FBADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)C[C@H]1N ZINC001239135058 846081581 /nfs/dbraw/zinc/08/15/81/846081581.db2.gz LPSNQHLIGGWVMM-WDEREUQCSA-N -1 3 358.372 -0.486 20 0 FBADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C[C@H]1N ZINC001239135211 846082909 /nfs/dbraw/zinc/08/29/09/846082909.db2.gz MUZHWXYJEIOIAJ-GMSGAONNSA-N -1 3 364.326 -0.216 20 0 FBADHM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C[C@H]1N ZINC001239135212 846082819 /nfs/dbraw/zinc/08/28/19/846082819.db2.gz MUZHWXYJEIOIAJ-OIBJUYFYSA-N -1 3 364.326 -0.216 20 0 FBADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C[C@@H]1N ZINC001239135213 846083181 /nfs/dbraw/zinc/08/31/81/846083181.db2.gz MUZHWXYJEIOIAJ-XCBNKYQSSA-N -1 3 364.326 -0.216 20 0 FBADHM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C[C@@H]1N ZINC001239135214 846082666 /nfs/dbraw/zinc/08/26/66/846082666.db2.gz MUZHWXYJEIOIAJ-XVKPBYJWSA-N -1 3 364.326 -0.216 20 0 FBADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C[C@@H]1N ZINC001239136706 846083244 /nfs/dbraw/zinc/08/32/44/846083244.db2.gz UGGLNJZNQPQAJO-NEPJUHHUSA-N -1 3 358.372 -0.729 20 0 FBADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C[C@H]1N ZINC001239136707 846082719 /nfs/dbraw/zinc/08/27/19/846082719.db2.gz UGGLNJZNQPQAJO-NWDGAFQWSA-N -1 3 358.372 -0.729 20 0 FBADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C[C@@H]1N ZINC001239136708 846082594 /nfs/dbraw/zinc/08/25/94/846082594.db2.gz UGGLNJZNQPQAJO-RYUDHWBXSA-N -1 3 358.372 -0.729 20 0 FBADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C[C@H]1N ZINC001239136709 846082611 /nfs/dbraw/zinc/08/26/11/846082611.db2.gz UGGLNJZNQPQAJO-VXGBXAGGSA-N -1 3 358.372 -0.729 20 0 FBADHM CC(C)(C)c1ccnc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)c1 ZINC001247600069 846113343 /nfs/dbraw/zinc/11/33/43/846113343.db2.gz ISKJISAXOUFLOD-GRYCIOLGSA-N -1 3 351.359 -0.313 20 0 FBADHM CC(C)(C)c1ccnc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c1 ZINC001247600078 846113469 /nfs/dbraw/zinc/11/34/69/846113469.db2.gz ISKJISAXOUFLOD-IJLUTSLNSA-N -1 3 351.359 -0.313 20 0 FBADHM CC(C)(C)c1ccnc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)c1 ZINC001247600080 846113605 /nfs/dbraw/zinc/11/36/05/846113605.db2.gz ISKJISAXOUFLOD-QJPTWQEYSA-N -1 3 351.359 -0.313 20 0 FBADHM CC(C)(C)c1ccnc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)c1 ZINC001247600081 846113269 /nfs/dbraw/zinc/11/32/69/846113269.db2.gz ISKJISAXOUFLOD-SDDRHHMPSA-N -1 3 351.359 -0.313 20 0 FBADHM COc1cc(Cl)cnc1-c1noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n1 ZINC001247600522 846113367 /nfs/dbraw/zinc/11/33/67/846113367.db2.gz NXVJYEWWGFQCHG-BDODKLCJSA-N -1 3 359.722 -0.949 20 0 FBADHM COc1cc(Cl)cnc1-c1noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n1 ZINC001247600537 846113713 /nfs/dbraw/zinc/11/37/13/846113713.db2.gz NXVJYEWWGFQCHG-JMOVZRAMSA-N -1 3 359.722 -0.949 20 0 FBADHM COc1cc(Cl)cnc1-c1noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n1 ZINC001247600539 846113703 /nfs/dbraw/zinc/11/37/03/846113703.db2.gz NXVJYEWWGFQCHG-WHFVKQHSSA-N -1 3 359.722 -0.949 20 0 FBADHM COc1cc(Cl)cnc1-c1noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n1 ZINC001247600540 846113736 /nfs/dbraw/zinc/11/37/36/846113736.db2.gz NXVJYEWWGFQCHG-WQGWLQIFSA-N -1 3 359.722 -0.949 20 0 FBADHM COc1ncc(Cl)cc1-c1noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n1 ZINC001247601368 846113164 /nfs/dbraw/zinc/11/31/64/846113164.db2.gz VNQBOEJLVCJABF-DJLDLDEBSA-N -1 3 359.722 -0.949 20 0 FBADHM COc1ncc(Cl)cc1-c1noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n1 ZINC001247601369 846113582 /nfs/dbraw/zinc/11/35/82/846113582.db2.gz VNQBOEJLVCJABF-HRDYMLBCSA-N -1 3 359.722 -0.949 20 0 FBADHM COc1ncc(Cl)cc1-c1noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n1 ZINC001247601370 846113757 /nfs/dbraw/zinc/11/37/57/846113757.db2.gz VNQBOEJLVCJABF-IWSPIJDZSA-N -1 3 359.722 -0.949 20 0 FBADHM COc1ncc(Cl)cc1-c1noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n1 ZINC001247601371 846113446 /nfs/dbraw/zinc/11/34/46/846113446.db2.gz VNQBOEJLVCJABF-XHNCKOQMSA-N -1 3 359.722 -0.949 20 0 FBADHM CC(C)Oc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)cn1 ZINC001247601536 846113549 /nfs/dbraw/zinc/11/35/49/846113549.db2.gz YZPOSCPMOMIHLK-ADEWGFFLSA-N -1 3 353.331 -0.824 20 0 FBADHM CC(C)Oc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)cn1 ZINC001247601555 846113310 /nfs/dbraw/zinc/11/33/10/846113310.db2.gz YZPOSCPMOMIHLK-MVWJERBFSA-N -1 3 353.331 -0.824 20 0 FBADHM CC(C)Oc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)cn1 ZINC001247601556 846113389 /nfs/dbraw/zinc/11/33/89/846113389.db2.gz YZPOSCPMOMIHLK-YUSALJHKSA-N -1 3 353.331 -0.824 20 0 FBADHM CC(C)Oc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)cn1 ZINC001247601557 846113458 /nfs/dbraw/zinc/11/34/58/846113458.db2.gz YZPOSCPMOMIHLK-ZMLRMANQSA-N -1 3 353.331 -0.824 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)cc1Cl ZINC001247606867 846114651 /nfs/dbraw/zinc/11/46/51/846114651.db2.gz AGHZAGJSTKWAMF-DVVUODLYSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)cc1Cl ZINC001247606906 846114575 /nfs/dbraw/zinc/11/45/75/846114575.db2.gz AGHZAGJSTKWAMF-FBIMIBRVSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)cc1Cl ZINC001247606908 846114794 /nfs/dbraw/zinc/11/47/94/846114794.db2.gz AGHZAGJSTKWAMF-INTQDDNPSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)cc1Cl ZINC001247606910 846114608 /nfs/dbraw/zinc/11/46/08/846114608.db2.gz AGHZAGJSTKWAMF-JMJZKYOTSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1c(C)cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)cc1C ZINC001247607119 846114705 /nfs/dbraw/zinc/11/47/05/846114705.db2.gz BERLACZBGWIFPD-GRYCIOLGSA-N -1 3 352.343 -0.380 20 0 FBADHM COc1c(C)cc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)cc1C ZINC001247607120 846114738 /nfs/dbraw/zinc/11/47/38/846114738.db2.gz BERLACZBGWIFPD-IJLUTSLNSA-N -1 3 352.343 -0.380 20 0 FBADHM COc1c(C)cc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)cc1C ZINC001247607121 846114558 /nfs/dbraw/zinc/11/45/58/846114558.db2.gz BERLACZBGWIFPD-QJPTWQEYSA-N -1 3 352.343 -0.380 20 0 FBADHM COc1c(C)cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)cc1C ZINC001247607122 846114292 /nfs/dbraw/zinc/11/42/92/846114292.db2.gz BERLACZBGWIFPD-SDDRHHMPSA-N -1 3 352.343 -0.380 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccc3ncsc3c2)no1)[C@@H](O)[C@H](O)CO ZINC001247607131 846114347 /nfs/dbraw/zinc/11/43/47/846114347.db2.gz BIYRRCKPHMXMDT-DVVUODLYSA-N -1 3 351.340 -0.396 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccc3ncsc3c2)no1)[C@H](O)[C@H](O)CO ZINC001247607132 846114381 /nfs/dbraw/zinc/11/43/81/846114381.db2.gz BIYRRCKPHMXMDT-FBIMIBRVSA-N -1 3 351.340 -0.396 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccc3ncsc3c2)no1)[C@@H](O)[C@@H](O)CO ZINC001247607133 846114693 /nfs/dbraw/zinc/11/46/93/846114693.db2.gz BIYRRCKPHMXMDT-INTQDDNPSA-N -1 3 351.340 -0.396 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccc3ncsc3c2)no1)[C@H](O)[C@@H](O)CO ZINC001247607134 846114506 /nfs/dbraw/zinc/11/45/06/846114506.db2.gz BIYRRCKPHMXMDT-JMJZKYOTSA-N -1 3 351.340 -0.396 20 0 FBADHM Cc1nc2cc(-c3noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n3)ccc2s1 ZINC001247608200 846114538 /nfs/dbraw/zinc/11/45/38/846114538.db2.gz DKWJXGNYQYEANE-ADEWGFFLSA-N -1 3 365.367 -0.088 20 0 FBADHM Cc1nc2cc(-c3noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n3)ccc2s1 ZINC001247608211 846114252 /nfs/dbraw/zinc/11/42/52/846114252.db2.gz DKWJXGNYQYEANE-MVWJERBFSA-N -1 3 365.367 -0.088 20 0 FBADHM Cc1nc2cc(-c3noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n3)ccc2s1 ZINC001247608214 846114525 /nfs/dbraw/zinc/11/45/25/846114525.db2.gz DKWJXGNYQYEANE-YUSALJHKSA-N -1 3 365.367 -0.088 20 0 FBADHM Cc1nc2cc(-c3noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n3)ccc2s1 ZINC001247608216 846114451 /nfs/dbraw/zinc/11/44/51/846114451.db2.gz DKWJXGNYQYEANE-ZMLRMANQSA-N -1 3 365.367 -0.088 20 0 FBADHM COc1ccc(Cl)c(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)c1 ZINC001247608228 846114620 /nfs/dbraw/zinc/11/46/20/846114620.db2.gz DLTZCTPVIGDOMI-GARJFASQSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(Cl)c(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c1 ZINC001247608231 846114888 /nfs/dbraw/zinc/11/48/88/846114888.db2.gz DLTZCTPVIGDOMI-GMTAPVOTSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(Cl)c(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)c1 ZINC001247608233 846114467 /nfs/dbraw/zinc/11/44/67/846114467.db2.gz DLTZCTPVIGDOMI-HBNTYKKESA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(Cl)c(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)c1 ZINC001247608236 846114715 /nfs/dbraw/zinc/11/47/15/846114715.db2.gz DLTZCTPVIGDOMI-OUAUKWLOSA-N -1 3 358.734 -0.344 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ncccc2Br)no1)[C@@H](O)[C@H](O)CO ZINC001247608612 846114672 /nfs/dbraw/zinc/11/46/72/846114672.db2.gz FWRHVKRBTFWUGF-BWVDBABLSA-N -1 3 374.147 -0.848 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ncccc2Br)no1)[C@@H](O)[C@@H](O)CO ZINC001247608648 846114420 /nfs/dbraw/zinc/11/44/20/846114420.db2.gz FWRHVKRBTFWUGF-CNUIFLNQSA-N -1 3 374.147 -0.848 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ncccc2Br)no1)[C@H](O)[C@H](O)CO ZINC001247608649 846114767 /nfs/dbraw/zinc/11/47/67/846114767.db2.gz FWRHVKRBTFWUGF-FTLITQJKSA-N -1 3 374.147 -0.848 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ncccc2Br)no1)[C@H](O)[C@@H](O)CO ZINC001247608650 846114549 /nfs/dbraw/zinc/11/45/49/846114549.db2.gz FWRHVKRBTFWUGF-NBEYISGCSA-N -1 3 374.147 -0.848 20 0 FBADHM COc1cccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)c1OC ZINC001247609195 846114491 /nfs/dbraw/zinc/11/44/91/846114491.db2.gz GJADIBPRKNMERH-DVVUODLYSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1cccc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c1OC ZINC001247609198 846114630 /nfs/dbraw/zinc/11/46/30/846114630.db2.gz GJADIBPRKNMERH-FBIMIBRVSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1cccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)c1OC ZINC001247609200 846115797 /nfs/dbraw/zinc/11/57/97/846115797.db2.gz GJADIBPRKNMERH-INTQDDNPSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1cccc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)c1OC ZINC001247609202 846115425 /nfs/dbraw/zinc/11/54/25/846115425.db2.gz GJADIBPRKNMERH-JMJZKYOTSA-N -1 3 354.315 -0.989 20 0 FBADHM CC(=O)c1ccc(F)c(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)c1 ZINC001247609315 846115850 /nfs/dbraw/zinc/11/58/50/846115850.db2.gz HDPNLJBJJLEPNA-GRYCIOLGSA-N -1 3 354.290 -0.664 20 0 FBADHM CC(=O)c1ccc(F)c(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c1 ZINC001247609324 846115765 /nfs/dbraw/zinc/11/57/65/846115765.db2.gz HDPNLJBJJLEPNA-IJLUTSLNSA-N -1 3 354.290 -0.664 20 0 FBADHM CC(=O)c1ccc(F)c(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)c1 ZINC001247609325 846115573 /nfs/dbraw/zinc/11/55/73/846115573.db2.gz HDPNLJBJJLEPNA-QJPTWQEYSA-N -1 3 354.290 -0.664 20 0 FBADHM CC(=O)c1ccc(F)c(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)c1 ZINC001247609327 846115366 /nfs/dbraw/zinc/11/53/66/846115366.db2.gz HDPNLJBJJLEPNA-SDDRHHMPSA-N -1 3 354.290 -0.664 20 0 FBADHM COc1cc(OC)cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)c1 ZINC001247609341 846115654 /nfs/dbraw/zinc/11/56/54/846115654.db2.gz HFTWYVVZJDZLKU-GRYCIOLGSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1cc(OC)cc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c1 ZINC001247609342 846115546 /nfs/dbraw/zinc/11/55/46/846115546.db2.gz HFTWYVVZJDZLKU-IJLUTSLNSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1cc(OC)cc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)c1 ZINC001247609344 846115672 /nfs/dbraw/zinc/11/56/72/846115672.db2.gz HFTWYVVZJDZLKU-QJPTWQEYSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1cc(OC)cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)c1 ZINC001247609345 846115606 /nfs/dbraw/zinc/11/56/06/846115606.db2.gz HFTWYVVZJDZLKU-SDDRHHMPSA-N -1 3 354.315 -0.989 20 0 FBADHM CC(C)Oc1cccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)c1 ZINC001247609989 846115447 /nfs/dbraw/zinc/11/54/47/846115447.db2.gz ICYWXJRWUGWHMK-FRRDWIJNSA-N -1 3 352.343 -0.219 20 0 FBADHM CC(C)Oc1cccc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c1 ZINC001247609991 846115873 /nfs/dbraw/zinc/11/58/73/846115873.db2.gz ICYWXJRWUGWHMK-JHJVBQTASA-N -1 3 352.343 -0.219 20 0 FBADHM CC(C)Oc1cccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)c1 ZINC001247609992 846115500 /nfs/dbraw/zinc/11/55/00/846115500.db2.gz ICYWXJRWUGWHMK-RWMBFGLXSA-N -1 3 352.343 -0.219 20 0 FBADHM CC(C)Oc1cccc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)c1 ZINC001247609993 846115786 /nfs/dbraw/zinc/11/57/86/846115786.db2.gz ICYWXJRWUGWHMK-YNEHKIRRSA-N -1 3 352.343 -0.219 20 0 FBADHM COc1cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)ccc1Cl ZINC001247610018 846115702 /nfs/dbraw/zinc/11/57/02/846115702.db2.gz IQZKWPMHXCQTEZ-DVVUODLYSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1cc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)ccc1Cl ZINC001247610019 846115832 /nfs/dbraw/zinc/11/58/32/846115832.db2.gz IQZKWPMHXCQTEZ-FBIMIBRVSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)ccc1Cl ZINC001247610020 846115486 /nfs/dbraw/zinc/11/54/86/846115486.db2.gz IQZKWPMHXCQTEZ-INTQDDNPSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1cc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)ccc1Cl ZINC001247610021 846115861 /nfs/dbraw/zinc/11/58/61/846115861.db2.gz IQZKWPMHXCQTEZ-JMJZKYOTSA-N -1 3 358.734 -0.344 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccc(OC3CC3)cc2)no1)[C@@H](O)[C@H](O)CO ZINC001247610756 846115593 /nfs/dbraw/zinc/11/55/93/846115593.db2.gz KRICJBBFGFVVSZ-FRRDWIJNSA-N -1 3 350.327 -0.465 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccc(OC3CC3)cc2)no1)[C@H](O)[C@H](O)CO ZINC001247610758 846115735 /nfs/dbraw/zinc/11/57/35/846115735.db2.gz KRICJBBFGFVVSZ-JHJVBQTASA-N -1 3 350.327 -0.465 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccc(OC3CC3)cc2)no1)[C@@H](O)[C@@H](O)CO ZINC001247610760 846115561 /nfs/dbraw/zinc/11/55/61/846115561.db2.gz KRICJBBFGFVVSZ-RWMBFGLXSA-N -1 3 350.327 -0.465 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccc(OC3CC3)cc2)no1)[C@H](O)[C@@H](O)CO ZINC001247610761 846115754 /nfs/dbraw/zinc/11/57/54/846115754.db2.gz KRICJBBFGFVVSZ-YNEHKIRRSA-N -1 3 350.327 -0.465 20 0 FBADHM COc1ccc(OC)c(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)c1 ZINC001247611846 846116494 /nfs/dbraw/zinc/11/64/94/846116494.db2.gz OFADFGFNQBFTRV-ADEWGFFLSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1ccc(OC)c(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)c1 ZINC001247611848 846116958 /nfs/dbraw/zinc/11/69/58/846116958.db2.gz OFADFGFNQBFTRV-MVWJERBFSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1ccc(OC)c(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c1 ZINC001247611849 846116429 /nfs/dbraw/zinc/11/64/29/846116429.db2.gz OFADFGFNQBFTRV-YUSALJHKSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1ccc(OC)c(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)c1 ZINC001247611850 846116677 /nfs/dbraw/zinc/11/66/77/846116677.db2.gz OFADFGFNQBFTRV-ZMLRMANQSA-N -1 3 354.315 -0.989 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccc3scnc3c2)no1)[C@@H](O)[C@H](O)CO ZINC001247612628 846116878 /nfs/dbraw/zinc/11/68/78/846116878.db2.gz PVRLDMGXOANQOU-DVVUODLYSA-N -1 3 351.340 -0.396 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccc3scnc3c2)no1)[C@H](O)[C@H](O)CO ZINC001247612632 846116918 /nfs/dbraw/zinc/11/69/18/846116918.db2.gz PVRLDMGXOANQOU-FBIMIBRVSA-N -1 3 351.340 -0.396 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccc3scnc3c2)no1)[C@@H](O)[C@@H](O)CO ZINC001247612634 846116624 /nfs/dbraw/zinc/11/66/24/846116624.db2.gz PVRLDMGXOANQOU-INTQDDNPSA-N -1 3 351.340 -0.396 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccc3scnc3c2)no1)[C@H](O)[C@@H](O)CO ZINC001247612638 846116810 /nfs/dbraw/zinc/11/68/10/846116810.db2.gz PVRLDMGXOANQOU-JMJZKYOTSA-N -1 3 351.340 -0.396 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)c(OC)c1 ZINC001247613666 846116522 /nfs/dbraw/zinc/11/65/22/846116522.db2.gz QSQZBHIZFKYHFZ-ADEWGFFLSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)c(OC)c1 ZINC001247613668 846116406 /nfs/dbraw/zinc/11/64/06/846116406.db2.gz QSQZBHIZFKYHFZ-MVWJERBFSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c(OC)c1 ZINC001247613670 846116752 /nfs/dbraw/zinc/11/67/52/846116752.db2.gz QSQZBHIZFKYHFZ-YUSALJHKSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)c(OC)c1 ZINC001247613671 846116891 /nfs/dbraw/zinc/11/68/91/846116891.db2.gz QSQZBHIZFKYHFZ-ZMLRMANQSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)c(Cl)c1 ZINC001247614254 846116314 /nfs/dbraw/zinc/11/63/14/846116314.db2.gz RKBWIOTYLALTDF-GARJFASQSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c(Cl)c1 ZINC001247614260 846116573 /nfs/dbraw/zinc/11/65/73/846116573.db2.gz RKBWIOTYLALTDF-GMTAPVOTSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)c(Cl)c1 ZINC001247614268 846116637 /nfs/dbraw/zinc/11/66/37/846116637.db2.gz RKBWIOTYLALTDF-HBNTYKKESA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)c(Cl)c1 ZINC001247614273 846116923 /nfs/dbraw/zinc/11/69/23/846116923.db2.gz RKBWIOTYLALTDF-OUAUKWLOSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(Cl)cc1-c1noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n1 ZINC001247614593 846116543 /nfs/dbraw/zinc/11/65/43/846116543.db2.gz SKWKZUQHYUDOIY-DVVUODLYSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(Cl)cc1-c1noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n1 ZINC001247614594 846116645 /nfs/dbraw/zinc/11/66/45/846116645.db2.gz SKWKZUQHYUDOIY-FBIMIBRVSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(Cl)cc1-c1noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n1 ZINC001247614596 846116913 /nfs/dbraw/zinc/11/69/13/846116913.db2.gz SKWKZUQHYUDOIY-INTQDDNPSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(Cl)cc1-c1noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n1 ZINC001247614598 846116688 /nfs/dbraw/zinc/11/66/88/846116688.db2.gz SKWKZUQHYUDOIY-JMJZKYOTSA-N -1 3 358.734 -0.344 20 0 FBADHM [O-]C(=C(O)c1nc(-c2cccc(OC3CC3)c2)no1)[C@@H](O)[C@H](O)CO ZINC001247614615 846116936 /nfs/dbraw/zinc/11/69/36/846116936.db2.gz SORNMQWSCPLLOO-FRRDWIJNSA-N -1 3 350.327 -0.465 20 0 FBADHM [O-]C(=C(O)c1nc(-c2cccc(OC3CC3)c2)no1)[C@H](O)[C@H](O)CO ZINC001247614616 846116732 /nfs/dbraw/zinc/11/67/32/846116732.db2.gz SORNMQWSCPLLOO-JHJVBQTASA-N -1 3 350.327 -0.465 20 0 FBADHM [O-]C(=C(O)c1nc(-c2cccc(OC3CC3)c2)no1)[C@@H](O)[C@@H](O)CO ZINC001247614618 846116470 /nfs/dbraw/zinc/11/64/70/846116470.db2.gz SORNMQWSCPLLOO-RWMBFGLXSA-N -1 3 350.327 -0.465 20 0 FBADHM [O-]C(=C(O)c1nc(-c2cccc(OC3CC3)c2)no1)[C@H](O)[C@@H](O)CO ZINC001247614620 846116554 /nfs/dbraw/zinc/11/65/54/846116554.db2.gz SORNMQWSCPLLOO-YNEHKIRRSA-N -1 3 350.327 -0.465 20 0 FBADHM [O-]C(=C(O)c1nc(-c2cncc(Br)c2)no1)[C@H](O)[C@@H](O)CO ZINC001247616340 846116531 /nfs/dbraw/zinc/11/65/31/846116531.db2.gz WGSUDJJFGXLHFH-DJLDLDEBSA-N -1 3 374.147 -0.848 20 0 FBADHM [O-]C(=C(O)c1nc(-c2cncc(Br)c2)no1)[C@@H](O)[C@H](O)CO ZINC001247616341 846116972 /nfs/dbraw/zinc/11/69/72/846116972.db2.gz WGSUDJJFGXLHFH-HRDYMLBCSA-N -1 3 374.147 -0.848 20 0 FBADHM [O-]C(=C(O)c1nc(-c2cncc(Br)c2)no1)[C@H](O)[C@H](O)CO ZINC001247616342 846116854 /nfs/dbraw/zinc/11/68/54/846116854.db2.gz WGSUDJJFGXLHFH-IWSPIJDZSA-N -1 3 374.147 -0.848 20 0 FBADHM [O-]C(=C(O)c1nc(-c2cncc(Br)c2)no1)[C@@H](O)[C@@H](O)CO ZINC001247616343 846116865 /nfs/dbraw/zinc/11/68/65/846116865.db2.gz WGSUDJJFGXLHFH-XHNCKOQMSA-N -1 3 374.147 -0.848 20 0 FBADHM CC(C)Oc1ccccc1-c1noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n1 ZINC001247616394 846116906 /nfs/dbraw/zinc/11/69/06/846116906.db2.gz WSBIWHKISNFTCN-CYZMBNFOSA-N -1 3 352.343 -0.219 20 0 FBADHM CC(C)Oc1ccccc1-c1noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n1 ZINC001247616395 846116643 /nfs/dbraw/zinc/11/66/43/846116643.db2.gz WSBIWHKISNFTCN-KGYLQXTDSA-N -1 3 352.343 -0.219 20 0 FBADHM CC(C)Oc1ccccc1-c1noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n1 ZINC001247616396 846116701 /nfs/dbraw/zinc/11/67/01/846116701.db2.gz WSBIWHKISNFTCN-RAIGVLPGSA-N -1 3 352.343 -0.219 20 0 FBADHM CC(C)Oc1ccccc1-c1noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n1 ZINC001247616397 846116724 /nfs/dbraw/zinc/11/67/24/846116724.db2.gz WSBIWHKISNFTCN-WCFLWFBJSA-N -1 3 352.343 -0.219 20 0 FBADHM CCCOc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)cc1 ZINC001247616450 846116483 /nfs/dbraw/zinc/11/64/83/846116483.db2.gz XCIYZCMMAQFLKS-FRRDWIJNSA-N -1 3 352.343 -0.217 20 0 FBADHM CCCOc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)cc1 ZINC001247616452 846116456 /nfs/dbraw/zinc/11/64/56/846116456.db2.gz XCIYZCMMAQFLKS-JHJVBQTASA-N -1 3 352.343 -0.217 20 0 FBADHM CCCOc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)cc1 ZINC001247616453 846116359 /nfs/dbraw/zinc/11/63/59/846116359.db2.gz XCIYZCMMAQFLKS-RWMBFGLXSA-N -1 3 352.343 -0.217 20 0 FBADHM CCCOc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)cc1 ZINC001247616454 846116609 /nfs/dbraw/zinc/11/66/09/846116609.db2.gz XCIYZCMMAQFLKS-YNEHKIRRSA-N -1 3 352.343 -0.217 20 0 FBADHM COc1cc(Cl)ccc1-c1noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n1 ZINC001247616752 846116710 /nfs/dbraw/zinc/11/67/10/846116710.db2.gz XMKNHVJAERMEAJ-DVVUODLYSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1cc(Cl)ccc1-c1noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n1 ZINC001247616753 846116948 /nfs/dbraw/zinc/11/69/48/846116948.db2.gz XMKNHVJAERMEAJ-FBIMIBRVSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1cc(Cl)ccc1-c1noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n1 ZINC001247616754 846116983 /nfs/dbraw/zinc/11/69/83/846116983.db2.gz XMKNHVJAERMEAJ-INTQDDNPSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1cc(Cl)ccc1-c1noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n1 ZINC001247616755 846116345 /nfs/dbraw/zinc/11/63/45/846116345.db2.gz XMKNHVJAERMEAJ-JMJZKYOTSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)cc1OC ZINC001247616809 846116764 /nfs/dbraw/zinc/11/67/64/846116764.db2.gz XVEODLQHGDWXKP-GGZOMVNGSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)cc1OC ZINC001247616811 846116441 /nfs/dbraw/zinc/11/64/41/846116441.db2.gz XVEODLQHGDWXKP-JFUSQASVSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)cc1OC ZINC001247616813 846116510 /nfs/dbraw/zinc/11/65/10/846116510.db2.gz XVEODLQHGDWXKP-KPXOXKRLSA-N -1 3 354.315 -0.989 20 0 FBADHM COc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)cc1OC ZINC001247616815 846116593 /nfs/dbraw/zinc/11/65/93/846116593.db2.gz XVEODLQHGDWXKP-XXILOJSOSA-N -1 3 354.315 -0.989 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccncc2Br)no1)[C@H](O)[C@@H](O)CO ZINC001247616849 846117759 /nfs/dbraw/zinc/11/77/59/846117759.db2.gz YCWJTXOMIDTOCF-DJLDLDEBSA-N -1 3 374.147 -0.848 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccncc2Br)no1)[C@@H](O)[C@H](O)CO ZINC001247616850 846117868 /nfs/dbraw/zinc/11/78/68/846117868.db2.gz YCWJTXOMIDTOCF-HRDYMLBCSA-N -1 3 374.147 -0.848 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccncc2Br)no1)[C@H](O)[C@H](O)CO ZINC001247616851 846117465 /nfs/dbraw/zinc/11/74/65/846117465.db2.gz YCWJTXOMIDTOCF-IWSPIJDZSA-N -1 3 374.147 -0.848 20 0 FBADHM [O-]C(=C(O)c1nc(-c2ccncc2Br)no1)[C@@H](O)[C@@H](O)CO ZINC001247616852 846117552 /nfs/dbraw/zinc/11/75/52/846117552.db2.gz YCWJTXOMIDTOCF-XHNCKOQMSA-N -1 3 374.147 -0.848 20 0 FBADHM COc1cc(Cl)cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)c1 ZINC001247617376 846117820 /nfs/dbraw/zinc/11/78/20/846117820.db2.gz ZAQJZPMXYQNDOL-GARJFASQSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1cc(Cl)cc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c1 ZINC001247617377 846117604 /nfs/dbraw/zinc/11/76/04/846117604.db2.gz ZAQJZPMXYQNDOL-GMTAPVOTSA-N -1 3 358.734 -0.344 20 0 FBADHM COc1cc(Cl)cc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)c1 ZINC001247617378 846117784 /nfs/dbraw/zinc/11/77/84/846117784.db2.gz ZAQJZPMXYQNDOL-HBNTYKKESA-N -1 3 358.734 -0.344 20 0 FBADHM 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0 FBADHM O=C(CCCNC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)NC1CC1 ZINC001347222406 851771440 /nfs/dbraw/zinc/77/14/40/851771440.db2.gz QQJJQHZCNJWBPV-UHFFFAOYSA-N -1 3 362.312 -0.385 20 0 FBADHM CC(C)C(=O)NCCNC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001347222879 851771799 /nfs/dbraw/zinc/77/17/99/851771799.db2.gz VDLGALKEXWTPPO-UHFFFAOYSA-N -1 3 350.301 -0.672 20 0 FBADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CCN(CC(F)F)CC1 ZINC001347222882 851771724 /nfs/dbraw/zinc/77/17/24/851771724.db2.gz LOVPPKDHKDKPRC-UHFFFAOYSA-N -1 3 370.282 -0.151 20 0 FBADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CCSC[C@H]1CCO ZINC001347223246 851771509 /nfs/dbraw/zinc/77/15/09/851771509.db2.gz MTAXODXAEYXABP-SSDOTTSWSA-N -1 3 367.353 -0.234 20 0 FBADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CCSC[C@@H]1CCO ZINC001347223250 851772022 /nfs/dbraw/zinc/77/20/22/851772022.db2.gz MTAXODXAEYXABP-ZETCQYMHSA-N -1 3 367.353 -0.234 20 0 FBADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC001347224575 851771532 /nfs/dbraw/zinc/77/15/32/851771532.db2.gz RPEYQTBXNZDUFY-GFCCVEGCSA-N -1 3 363.296 -0.542 20 0 FBADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC001347224576 851771742 /nfs/dbraw/zinc/77/17/42/851771742.db2.gz RPEYQTBXNZDUFY-LBPRGKRZSA-N -1 3 363.296 -0.542 20 0 FBADHM CCS(=O)(=O)CCN(C)C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001347232840 851771594 /nfs/dbraw/zinc/77/15/94/851771594.db2.gz BVOKSWQRGQNLTP-UHFFFAOYSA-N -1 3 371.341 -0.667 20 0 FBADHM CNC(=O)C(C)(C)CNC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001347235644 851772836 /nfs/dbraw/zinc/77/28/36/851772836.db2.gz RSIDZPMLGYTLKP-UHFFFAOYSA-N -1 3 350.301 -0.672 20 0 FBADHM CO[C@@H]1CN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@@H]1OC ZINC001347236382 851772763 /nfs/dbraw/zinc/77/27/63/851772763.db2.gz ZDJMMXWILJWUTM-KNVOCYPGSA-N -1 3 351.285 -0.688 20 0 FBADHM NC(=O)CCS(=O)(=O)CCN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001347336802 851781892 /nfs/dbraw/zinc/78/18/92/851781892.db2.gz WUWANAGTYASEDS-JTQLQIEISA-N -1 3 373.397 -0.333 20 0 FBADHM NC(=O)CCS(=O)(=O)CCN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001347336803 851781922 /nfs/dbraw/zinc/78/19/22/851781922.db2.gz WUWANAGTYASEDS-SNVBAGLBSA-N -1 3 373.397 -0.333 20 0 FBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C3CN(C)C3)CC2)c(C)o1 ZINC001347361752 851785055 /nfs/dbraw/zinc/78/50/55/851785055.db2.gz FQYBHDYYBMASEJ-UHFFFAOYSA-N -1 3 356.448 -0.432 20 0 FBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC2(COC(=O)N2)CC1 ZINC001347368953 851785932 /nfs/dbraw/zinc/78/59/32/851785932.db2.gz BZROTXSHKZTUDG-UHFFFAOYSA-N -1 3 372.403 -0.329 20 0 FBADHM NS(=O)(=O)C1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC001347421827 851789849 /nfs/dbraw/zinc/78/98/49/851789849.db2.gz HFPKHUSZJIODDF-UHFFFAOYSA-N -1 3 356.330 -0.214 20 0 FBADHM COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001347437624 851792414 /nfs/dbraw/zinc/79/24/14/851792414.db2.gz RDKDPDINTHESLV-LLVKDONJSA-N -1 3 357.388 -0.860 20 0 FBADHM COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001347437625 851792466 /nfs/dbraw/zinc/79/24/66/851792466.db2.gz RDKDPDINTHESLV-NSHDSACASA-N -1 3 357.388 -0.860 20 0 FBADHM CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001347527108 851800253 /nfs/dbraw/zinc/80/02/53/851800253.db2.gz MOCBWZQTXPKVPC-JTQLQIEISA-N -1 3 366.340 -0.844 20 0 FBADHM CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001347527110 851800512 /nfs/dbraw/zinc/80/05/12/851800512.db2.gz MOCBWZQTXPKVPC-SNVBAGLBSA-N -1 3 366.340 -0.844 20 0 FBADHM CS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001347668521 851814762 /nfs/dbraw/zinc/81/47/62/851814762.db2.gz WIIYJOARYCLUCI-JLLWLGSASA-N -1 3 368.415 -0.521 20 0 FBADHM CNC(=O)CN1CCC([N-]S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC001347758877 851823075 /nfs/dbraw/zinc/82/30/75/851823075.db2.gz IKVDAFYHSKYHBL-UHFFFAOYSA-N -1 3 352.482 -0.707 20 0 FBADHM CCN1CCN(C2CN(C(=O)c3ccc([N-]S(C)(=O)=O)nc3)C2)CC1 ZINC001347916212 851833080 /nfs/dbraw/zinc/83/30/80/851833080.db2.gz VYVZMLAOHVGEGD-UHFFFAOYSA-N -1 3 367.475 -0.085 20 0 FBADHM COCCN(CC(=O)OC(C)(C)C)Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC001347920215 851833043 /nfs/dbraw/zinc/83/30/43/851833043.db2.gz SHYXLQIIDGIUHD-UHFFFAOYSA-N -1 3 352.395 -0.210 20 0 FBADHM O=C(NCC(F)F)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cn[n-]n2)C1 ZINC001347978527 851836485 /nfs/dbraw/zinc/83/64/85/851836485.db2.gz ZSLWYGGDNCYTIP-RTHLEPHNSA-N -1 3 356.333 -0.703 20 0 FBADHM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 ZINC001348305961 851857139 /nfs/dbraw/zinc/85/71/39/851857139.db2.gz BLJJLBJWPCYLRC-GHMZBOCLSA-N -1 3 355.416 -0.679 20 0 FBADHM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 ZINC001348305962 851857220 /nfs/dbraw/zinc/85/72/20/851857220.db2.gz BLJJLBJWPCYLRC-MNOVXSKESA-N -1 3 355.416 -0.679 20 0 FBADHM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 ZINC001348305965 851857188 /nfs/dbraw/zinc/85/71/88/851857188.db2.gz BLJJLBJWPCYLRC-QWRGUYRKSA-N -1 3 355.416 -0.679 20 0 FBADHM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC001348305968 851857066 /nfs/dbraw/zinc/85/70/66/851857066.db2.gz BLJJLBJWPCYLRC-WDEREUQCSA-N -1 3 355.416 -0.679 20 0 FBADHM CCOC(=O)c1nc(NC(=O)C2CCN(S(=O)(=O)NC)CC2)c[n-]1 ZINC001348422136 851865951 /nfs/dbraw/zinc/86/59/51/851865951.db2.gz FHAYLFPDUTXYNI-UHFFFAOYSA-N -1 3 359.408 -0.299 20 0 FBADHM CCOC(=O)c1ncc(NC(=O)C2CCN(S(=O)(=O)NC)CC2)[n-]1 ZINC001348422136 851865948 /nfs/dbraw/zinc/86/59/48/851865948.db2.gz FHAYLFPDUTXYNI-UHFFFAOYSA-N -1 3 359.408 -0.299 20 0 FBADHM Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001348567106 851872532 /nfs/dbraw/zinc/87/25/32/851872532.db2.gz ORMQSFNPGGTASN-JTQLQIEISA-N -1 3 367.435 -0.257 20 0 FBADHM Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001348567107 851872401 /nfs/dbraw/zinc/87/24/01/851872401.db2.gz ORMQSFNPGGTASN-SNVBAGLBSA-N -1 3 367.435 -0.257 20 0 FBADHM CCS(=O)(=O)NC1CCN(c2nnc(-c3cnc[n-]c3=O)n2C)CC1 ZINC001348670769 851880789 /nfs/dbraw/zinc/88/07/89/851880789.db2.gz ZNLYQPAEXNCFBL-UHFFFAOYSA-N -1 3 367.435 -0.114 20 0 FBADHM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)[O-] ZINC001348942468 851895714 /nfs/dbraw/zinc/89/57/14/851895714.db2.gz GTRANYIQPITVBP-HZSPNIEDSA-N -1 3 355.435 -0.171 20 0 FBADHM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)[O-] ZINC001348942469 851895646 /nfs/dbraw/zinc/89/56/46/851895646.db2.gz GTRANYIQPITVBP-MCIONIFRSA-N -1 3 355.435 -0.171 20 0 FBADHM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)[O-] ZINC001348942470 851896020 /nfs/dbraw/zinc/89/60/20/851896020.db2.gz GTRANYIQPITVBP-MGPQQGTHSA-N -1 3 355.435 -0.171 20 0 FBADHM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(=O)[O-] ZINC001348942472 851895914 /nfs/dbraw/zinc/89/59/14/851895914.db2.gz GTRANYIQPITVBP-RDBSUJKOSA-N -1 3 355.435 -0.171 20 0 FBADHM Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c([O-])c1 ZINC001349130210 851908610 /nfs/dbraw/zinc/90/86/10/851908610.db2.gz CVATXEUFMYRNIM-UHFFFAOYSA-N -1 3 351.388 -0.156 20 0 FBADHM O=C(NCCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1cnc[n-]c1=O ZINC001349231727 851914507 /nfs/dbraw/zinc/91/45/07/851914507.db2.gz KNNXCLSNENMWPW-BDAKNGLRSA-N -1 3 364.280 -0.626 20 0 FBADHM CON(C)S(=O)(=O)c1cccc(C(=O)N(CCN(C)C)CC(=O)[O-])c1 ZINC001349295077 851918609 /nfs/dbraw/zinc/91/86/09/851918609.db2.gz JUGMSALBKDAGQF-UHFFFAOYSA-N -1 3 373.431 -0.043 20 0 FBADHM CC(C)N(CCc1noc([C@H]2CCS(=O)(=O)[N-]2)n1)S(C)(=O)=O ZINC001349509271 851933328 /nfs/dbraw/zinc/93/33/28/851933328.db2.gz FQVLWDSABWUKPS-SECBINFHSA-N -1 3 352.438 -0.354 20 0 FBADHM CC(C)N(CCc1noc([C@@H]2CCS(=O)(=O)[N-]2)n1)S(C)(=O)=O ZINC001349509276 851933305 /nfs/dbraw/zinc/93/33/05/851933305.db2.gz FQVLWDSABWUKPS-VIFPVBQESA-N -1 3 352.438 -0.354 20 0 FBADHM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001349682161 851946514 /nfs/dbraw/zinc/94/65/14/851946514.db2.gz WKLXAZGNLCELPN-AWEZNQCLSA-N -1 3 350.419 -0.541 20 0 FBADHM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC001349682163 851946161 /nfs/dbraw/zinc/94/61/61/851946161.db2.gz WKLXAZGNLCELPN-CQSZACIVSA-N -1 3 350.419 -0.541 20 0 FBADHM COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001349730512 851950451 /nfs/dbraw/zinc/95/04/51/851950451.db2.gz VIEXYEGANCWDDP-RNFRBKRXSA-N -1 3 351.285 -0.952 20 0 FBADHM COC(=O)c1sc2[n-]c(CN[C@@]3(C(N)=O)CCOC3)nc(=O)c2c1C ZINC001349771352 851953307 /nfs/dbraw/zinc/95/33/07/851953307.db2.gz SHMQBRLWAPDOJZ-HNNXBMFYSA-N -1 3 366.399 -0.186 20 0 FBADHM COC(=O)c1sc2[n-]c(CN[C@]3(C(N)=O)CCOC3)nc(=O)c2c1C ZINC001349771353 851953574 /nfs/dbraw/zinc/95/35/74/851953574.db2.gz SHMQBRLWAPDOJZ-OAHLLOKOSA-N -1 3 366.399 -0.186 20 0 FBADHM COC(=O)CCN(CC(=O)[O-])Cc1cnc(N2CCN(C)CC2)nc1 ZINC001349786132 851954444 /nfs/dbraw/zinc/95/44/44/851954444.db2.gz CIRWBGLPOCGBJD-UHFFFAOYSA-N -1 3 351.407 -0.322 20 0 FBADHM CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001349938142 851961501 /nfs/dbraw/zinc/96/15/01/851961501.db2.gz SFBZARMZUQQMJW-CXAGYDPISA-N -1 3 355.435 -0.073 20 0 FBADHM CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001349938147 851961472 /nfs/dbraw/zinc/96/14/72/851961472.db2.gz SFBZARMZUQQMJW-DYVFJYSZSA-N -1 3 355.435 -0.073 20 0 FBADHM CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001349938149 851961581 /nfs/dbraw/zinc/96/15/81/851961581.db2.gz SFBZARMZUQQMJW-GUYCJALGSA-N -1 3 355.435 -0.073 20 0 FBADHM CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001349938153 851962542 /nfs/dbraw/zinc/96/25/42/851962542.db2.gz SFBZARMZUQQMJW-SUMWQHHRSA-N -1 3 355.435 -0.073 20 0 FBADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001350542782 851994222 /nfs/dbraw/zinc/99/42/22/851994222.db2.gz ILOPQHLGMGJEAR-LLVKDONJSA-N -1 3 354.388 -0.140 20 0 FBADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cnn(C[C@H](O)CO)c1 ZINC001350542783 851994176 /nfs/dbraw/zinc/99/41/76/851994176.db2.gz ILOPQHLGMGJEAR-NSHDSACASA-N -1 3 354.388 -0.140 20 0 FBADHM CN1CC(N2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)nc3)CC2)C1 ZINC001350560996 851997186 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