314 SMILES Strings for Bromodomain-containing protein 4 [44-168]

Compound Name
SMILES String
CC1Nc2cc(ccc2N(Cc2ccccc2)C1=O)-c1c(C)noc1C
COc1ccc(CN2C(C)C(=O)Nc3ccc(cc23)-c2c(C)noc2C)cc1
C[C@H]1N(Cc2ccc(Cl)cc2)c2cc(ccc2NC1=O)-c1c(C)noc1C
C[C@H]1N(C2CCCC2)c2cc(ccc2NC1=O)-c1c(C)noc1C
COc1ccc(CN2[C@H](C)C(=O)N(C)c3ccc(cc23)-c2c(C)noc2C)cc1
Cc1noc(C)c1-c1ccc2NC(=O)C(CO)N(Cc3ccccc3)c2c1
CC[C@H]1N(Cc2ccccc2)c2cc(ccc2NC1=O)-c1c(C)noc1C
Cc1noc(C)c1-c1ccc2NC(=O)[C@@H](Cc3ccccc3)N(Cc3ccccc3)c2c1
Cc1noc(C)c1-c1ccc2NC(=O)CN(Cc3ccc(Cl)cc3)c2c1
Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,36|
Cc1sc-2c(c1C)C(=NC(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c3c(C)c(C)sc3-n3c(C)nnc13)c1ccc(Cl)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8,43|
COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,33|
COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,39|
COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,42|
COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,45|
COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,54|
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:34.34,7.7,c:36,(31.86,-.67,;30.53,.1,;29.2,.87,;27.86,.1,;26.53,.87,;25.19,.1,;24.72,-1.37,;25.72,-2.3,;27.26,-1.92,;25.28,-3.47,;23.74,-3.47,;22.97,-4.81,;23.74,-6.14,;25.28,-6.14,;26.05,-4.81,;23.18,-1.37,;22.41,-2.7,;22.7,.1,;21.37,.87,;20.28,-.22,;20.72,-2.31,;18.4,-.66,;17.02,.51,;15.69,-.26,;14.6,.83,;13.26,.06,;11.93,.83,;10.6,.06,;9.26,.83,;7.93,.06,;6.84,1.15,;5.75,.06,;5.75,-1.48,;4.66,1.15,;3.33,.38,;2.37,-.83,;.83,-.83,;-.13,.38,;-1.67,.38,;-2.76,-.71,;-2.15,1.84,;-3.48,2.61,;-.9,2.74,;.21,1.88,;1.6,2.54,;1.86,4.1,;.77,5.19,;3.38,4.34,;4.08,2.97,;2.99,1.88,;.06,-2.16,;-1.48,-2.16,;-2.25,-3.5,;-1.48,-4.83,;-2.25,-6.16,;.06,-4.83,;.83,-3.5,;23.86,.87,;23.86,2.41,;25.19,3.18,;26.53,2.41,;27.86,3.18,;29.2,2.41,;30.53,3.18,;31.86,2.41,;31.86,.87,;32.95,3.5,;32.25,4.87,;30.73,4.63,;29.64,5.72,)|
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:28.28,7.7,c:30,(24.05,-.34,;22.72,.43,;21.39,1.2,;20.05,.43,;18.72,1.2,;17.38,.43,;16.91,-1.04,;17.91,-1.97,;19.45,-1.59,;17.47,-3.14,;15.93,-3.14,;15.16,-4.48,;15.93,-5.81,;17.47,-5.81,;18.24,-4.48,;15.37,-1.04,;14.6,-2.37,;14.89,.43,;13.56,1.2,;12.47,.11,;12.47,-1.43,;11.14,.88,;9.91,-.11,;8.37,-.16,;6.84,1.15,;5.75,.06,;5.75,-1.48,;4.66,1.15,;3.33,.38,;2.37,-.83,;.83,-.83,;-.13,.38,;-1.67,.38,;-2.76,-.71,;-2.15,1.84,;-3.48,2.61,;-.9,2.74,;.21,1.88,;1.6,2.54,;1.86,4.1,;.77,5.19,;3.38,4.34,;4.08,2.97,;2.99,1.88,;.06,-2.16,;-1.48,-2.16,;-2.25,-3.5,;-1.48,-4.83,;-2.25,-6.16,;.06,-4.83,;.83,-3.5,;16.05,1.2,;16.05,2.74,;17.38,3.51,;18.72,2.74,;20.05,3.51,;21.39,2.74,;22.72,3.51,;24.05,2.74,;24.05,1.2,;25.14,3.83,;24.44,5.2,;22.92,4.96,;21.83,6.05,)|
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:31.31,7.7,c:33,(28.23,-.23,;26.9,.54,;25.57,1.31,;24.23,.54,;22.9,1.31,;21.56,.54,;21.09,-.93,;22.09,-1.86,;23.63,-1.48,;21.65,-3.03,;20.11,-3.03,;19.34,-4.37,;20.11,-5.7,;21.65,-5.7,;22.42,-4.37,;19.55,-.93,;18.78,-2.26,;19.07,.54,;17.74,1.31,;16.65,.22,;16.65,-1.32,;14.99,.99,;13.26,.06,;11.93,.83,;10.6,.06,;9.26,.83,;7.93,.06,;6.84,1.15,;5.75,.06,;5.75,-1.48,;4.66,1.15,;3.33,.38,;2.37,-.83,;.83,-.83,;-.13,.38,;-1.67,.38,;-2.76,-.71,;-2.15,1.84,;-3.48,2.61,;-.9,2.74,;.21,1.88,;1.6,2.54,;1.86,4.1,;.77,5.19,;3.38,4.34,;4.08,2.97,;2.99,1.88,;.06,-2.16,;-1.48,-2.16,;-2.25,-3.5,;-1.48,-4.83,;-2.25,-6.16,;.06,-4.83,;.83,-3.5,;20.23,1.31,;20.23,2.85,;21.56,3.62,;22.9,2.85,;24.23,3.62,;25.57,2.85,;26.9,3.62,;28.23,2.85,;28.23,1.31,;29.32,3.94,;28.62,5.31,;27.1,5.07,;26.01,6.16,)|
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:37.37,7.7,c:39,(35.71,-1.55,;34.38,-.78,;33.05,-.01,;31.71,-.78,;30.38,-.01,;29.04,-.78,;28.57,-2.25,;29.57,-3.18,;31.11,-2.8,;29.13,-4.35,;27.59,-4.35,;26.82,-5.69,;27.59,-7.02,;29.13,-7.02,;29.9,-5.69,;27.03,-2.25,;26.26,-3.58,;26.55,-.78,;25.22,-.01,;24.13,-1.1,;24.02,-3.19,;22.36,.11,;20.78,-.58,;19.44,.19,;18.11,-.58,;17.02,.51,;15.69,-.26,;14.6,.83,;13.26,.06,;11.93,.83,;10.6,.06,;9.26,.83,;7.93,.06,;6.84,1.15,;5.75,.06,;5.75,-1.48,;4.66,1.15,;3.33,.38,;2.37,-.83,;.83,-.83,;-.13,.38,;-1.67,.38,;-2.76,-.71,;-2.15,1.84,;-3.48,2.61,;-.9,2.74,;.21,1.88,;1.6,2.54,;1.86,4.1,;.77,5.19,;3.38,4.34,;4.08,2.97,;2.99,1.88,;.06,-2.16,;-1.48,-2.16,;-2.25,-3.5,;-1.48,-4.83,;-2.25,-6.16,;.06,-4.83,;.83,-3.5,;27.71,-.01,;27.71,1.53,;29.04,2.3,;30.38,1.53,;31.71,2.3,;33.05,1.53,;34.38,2.3,;35.71,1.53,;35.71,-.01,;36.8,2.62,;36.1,3.99,;34.58,3.75,;33.49,4.84,)|
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:40.40,7.7,c:42,(40.11,-1,;38.78,-.23,;37.45,.54,;36.11,-.23,;34.78,.54,;33.44,-.23,;32.97,-1.7,;33.97,-2.63,;35.51,-2.25,;33.53,-3.8,;31.99,-3.8,;31.22,-5.14,;31.99,-6.47,;33.53,-6.47,;34.3,-5.14,;31.43,-1.7,;30.66,-3.03,;30.95,-.23,;29.62,.54,;28.53,-.55,;28.42,-2.64,;27.2,.22,;24.75,.2,;23.97,-.57,;22.33,.52,;20.78,-.58,;19.77,.19,;18.11,-.58,;17.02,.51,;15.69,-.26,;14.6,.83,;13.26,.06,;11.93,.83,;10.6,.06,;9.26,.83,;7.93,.06,;6.84,1.15,;5.75,.06,;5.75,-1.48,;4.66,1.15,;3.33,.38,;2.37,-.83,;.83,-.83,;-.13,.38,;-1.67,.38,;-2.76,-.71,;-2.15,1.84,;-3.48,2.61,;-.9,2.74,;.21,1.88,;1.6,2.54,;1.86,4.1,;.77,5.19,;3.38,4.34,;4.08,2.97,;2.99,1.88,;.06,-2.16,;-1.48,-2.16,;-2.25,-3.5,;-1.48,-4.83,;-2.25,-6.16,;.06,-4.83,;.83,-3.5,;32.11,.54,;32.11,2.08,;33.44,2.85,;34.78,2.08,;36.11,2.85,;37.45,2.08,;38.78,2.85,;40.11,2.08,;40.11,.54,;41.2,3.17,;40.5,4.54,;38.98,4.3,;37.89,5.39,)|
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:49.49,7.7,c:51,(51.33,-.89,;50,-.12,;48.67,.65,;47.33,-.12,;46,.65,;44.66,-.12,;44.19,-1.59,;45.19,-2.52,;46.73,-2.14,;44.75,-3.69,;43.21,-3.69,;42.44,-5.03,;43.21,-6.36,;44.75,-6.36,;45.52,-5.03,;42.65,-1.59,;41.88,-2.92,;42.17,-.12,;40.84,.65,;39.75,-.44,;39.64,-2.53,;38.31,.33,;36.76,-.57,;35.42,.2,;34.09,-.57,;32.76,.2,;31.42,-.57,;30.09,.2,;28.75,-.57,;27.42,.2,;26.09,-.57,;24.75,.2,;23.97,-.57,;22.33,.52,;20.78,-.58,;19.77,.19,;18.11,-.58,;17.02,.51,;15.69,-.26,;14.6,.83,;13.26,.06,;11.93,.83,;10.6,.06,;9.26,.83,;7.93,.06,;6.84,1.15,;5.75,.06,;5.75,-1.48,;4.66,1.15,;3.33,.38,;2.37,-.83,;.83,-.83,;-.13,.38,;-1.67,.38,;-2.76,-.71,;-2.15,1.84,;-3.48,2.61,;-.9,2.74,;.21,1.88,;1.6,2.54,;1.86,4.1,;.77,5.19,;3.38,4.34,;4.08,2.97,;2.99,1.88,;.06,-2.16,;-1.48,-2.16,;-2.25,-3.5,;-1.48,-4.83,;-2.25,-6.16,;.06,-4.83,;.83,-3.5,;43.33,.65,;43.33,2.19,;44.66,2.96,;46,2.19,;47.33,2.96,;48.67,2.19,;50,2.96,;51.33,2.19,;51.33,.65,;52.42,3.28,;51.72,4.65,;50.2,4.41,;49.11,5.5,)|
COC(=O)CC1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCNC(=O)Cn1c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n([C@H](C)c2ccccn2)c1=O)c1ccc(Cl)cc1 |r,wD:50.56,c:6,(-5.91,-1.27,;-4.65,-.17,;-3.15,-.92,;-2.91,-2.46,;-2.3,.08,;-.81,-.32,;.15,-1.52,;1.69,-1.52,;2.65,-.32,;4.19,-.32,;4.86,-1.49,;4.66,1.15,;3.42,2.05,;2.3,1.18,;.92,1.85,;.66,3.4,;1.75,4.49,;-.86,3.64,;-1.56,2.27,;-.47,1.18,;5.83,.55,;6.25,-.99,;6.84,1.15,;8.37,-.16,;9.91,-.11,;11.14,.88,;12.47,.11,;12.47,-1.43,;13.56,1.2,;14.89,.43,;16.05,1.2,;16.05,2.74,;17.38,3.51,;18.72,2.74,;20.05,3.51,;21.39,2.74,;22.72,3.51,;24.05,2.74,;24.05,1.2,;25.14,3.83,;24.44,5.2,;22.92,4.96,;21.83,6.05,;21.39,1.2,;22.72,.43,;24.05,-.34,;20.05,.43,;18.72,1.2,;17.38,.43,;16.91,-1.04,;17.91,-1.97,;19.45,-1.59,;17.47,-3.14,;15.93,-3.14,;15.16,-4.48,;15.93,-5.81,;17.47,-5.81,;18.24,-4.48,;15.37,-1.04,;14.6,-2.37,;2.46,-2.86,;4,-2.86,;4.77,-4.19,;4,-5.52,;4.77,-6.86,;2.46,-5.52,;1.69,-4.19,)|
COC(=O)CC1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)Cn1c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n([C@H](C)c2ccccn2)c1=O)c1ccc(Cl)cc1 |r,wD:53.59,c:6,(-5.7,4.34,;-4.06,4.67,;-3.14,3.26,;-3.7,1.8,;-1.9,3.7,;-.81,2.61,;-.58,1.09,;.75,.32,;2.18,.88,;3.52,.11,;3.92,-1.37,;4.66,1.15,;4.04,2.55,;2.64,2.36,;1.77,3.63,;2.33,5.1,;3.81,5.5,;1.13,6.07,;-.16,5.23,;.24,3.74,;5.75,.22,;5.75,-1.07,;6.84,1.15,;7.93,.06,;9.26,.83,;10.6,.06,;11.93,.83,;13.26,.06,;14.99,.99,;16.65,.22,;16.65,-1.32,;17.74,1.31,;19.07,.54,;20.23,1.31,;20.23,2.85,;21.56,3.62,;22.9,2.85,;24.23,3.62,;25.57,2.85,;26.9,3.62,;28.23,2.85,;28.23,1.31,;29.32,3.94,;28.62,5.31,;27.1,5.07,;26.01,6.16,;25.57,1.31,;26.9,.54,;28.23,-.23,;24.23,.54,;22.9,1.31,;21.56,.54,;21.09,-.93,;22.09,-1.86,;23.63,-1.48,;21.65,-3.03,;20.11,-3.03,;19.34,-4.37,;20.11,-5.7,;21.65,-5.7,;22.42,-4.37,;19.55,-.93,;18.78,-2.26,;.75,-1.22,;2.08,-1.99,;2.08,-3.53,;.75,-4.3,;.75,-5.84,;-.58,-3.53,;-.58,-1.99,)|
COC(=O)CC1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCNC(=O)Cn1c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n([C@H](C)c2ccccn2)c1=O)c1ccc(Cl)cc1 |r,wD:59.65,c:6,(-7.04,.67,;-5.55,1.41,;-4.29,.29,;-4.45,-1.26,;-3.21,1.04,;-1.88,.27,;-1.26,-1.14,;.23,-1.54,;1.47,-.62,;2.95,-1.02,;3.72,-2.36,;3.79,.27,;2.82,1.46,;1.52,.91,;.36,1.92,;.51,3.48,;1.84,4.25,;-.9,4.11,;-1.93,2.97,;-1.16,1.63,;5.34,.14,;5.75,-1.4,;6.84,1.15,;7.93,.06,;9.26,.83,;10.6,.06,;11.93,.83,;13.26,.06,;14.6,.83,;15.69,-.26,;17.02,.51,;18.11,-.58,;19.44,.19,;20.78,-.58,;22.36,.11,;24.13,-1.1,;24.02,-3.19,;25.22,-.01,;26.55,-.78,;27.71,-.01,;27.71,1.53,;29.04,2.3,;30.38,1.53,;31.71,2.3,;33.05,1.53,;34.38,2.3,;35.71,1.53,;35.71,-.01,;36.8,2.62,;36.1,3.99,;34.58,3.75,;33.49,4.84,;33.05,-.01,;34.38,-.78,;35.71,-1.55,;31.71,-.78,;30.38,-.01,;29.04,-.78,;28.57,-2.25,;29.57,-3.18,;31.11,-2.8,;29.13,-4.35,;27.59,-4.35,;26.82,-5.69,;27.59,-7.02,;29.13,-7.02,;29.9,-5.69,;27.03,-2.25,;26.26,-3.58,;.63,-3.03,;2.11,-3.43,;2.51,-4.91,;1.42,-6,;1.82,-7.49,;-.06,-5.6,;-.46,-4.12,)|
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COc1cc2c3n([C@@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCNC(=O)Cn4c5cnc6cc(-c7c(C)noc7C)c(OC)cc6c5n([C@H](C)c5ccccn5)c4=O)c3cnc2cc1-c1c(C)noc1C |r,wD:58.62,7.7,(-6.47,-.67,;-5.13,.1,;-3.8,.87,;-2.47,.1,;-1.13,.87,;.2,.1,;.68,-1.36,;-.33,-2.3,;-1.87,-1.91,;.11,-3.47,;1.65,-3.47,;2.42,-4.8,;1.65,-6.14,;.11,-6.14,;-.66,-4.8,;2.22,-1.36,;2.99,-2.7,;2.69,.1,;4.03,.87,;5.34,.14,;5.75,-1.4,;6.84,1.15,;7.93,.06,;9.26,.83,;10.6,.06,;11.93,.83,;13.26,.06,;14.6,.83,;15.69,-.26,;17.02,.51,;18.11,-.58,;19.44,.19,;20.78,-.58,;22.36,.11,;24.13,-1.1,;24.02,-3.19,;25.22,-.01,;26.55,-.78,;27.71,-.01,;27.71,1.53,;29.04,2.3,;30.38,1.53,;31.71,2.3,;33.05,1.53,;34.38,2.3,;35.71,1.53,;35.71,-.01,;36.8,2.62,;36.1,3.99,;34.58,3.75,;33.49,4.84,;33.05,-.01,;34.38,-.78,;35.71,-1.55,;31.71,-.78,;30.38,-.01,;29.04,-.78,;28.57,-2.25,;29.57,-3.18,;31.11,-2.8,;29.13,-4.35,;27.59,-4.35,;26.82,-5.69,;27.59,-7.02,;29.13,-7.02,;29.9,-5.69,;27.03,-2.25,;26.26,-3.58,;1.53,.87,;1.53,2.41,;.2,3.18,;-1.13,2.41,;-2.47,3.18,;-3.8,2.41,;-5.13,3.18,;-6.47,2.41,;-6.47,.87,;-7.56,3.5,;-6.86,4.87,;-5.34,4.63,;-4.25,5.72,)|
COc1cc2c3n([C@@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCOCCNC(=O)Cn4c5cnc6cc(-c7c(C)noc7C)c(OC)cc6c5n([C@H](C)c5ccccn5)c4=O)c3cnc2cc1-c1c(C)noc1C |r,wD:61.65,7.7,(-5.92,-.12,;-4.58,.65,;-3.25,1.42,;-1.92,.65,;-.58,1.42,;.75,.65,;1.23,-.81,;.22,-1.75,;-1.32,-1.36,;.66,-2.92,;2.2,-2.92,;2.97,-4.25,;2.2,-5.59,;.66,-5.59,;-.11,-4.25,;2.77,-.81,;3.54,-2.15,;3.24,.65,;4.58,1.42,;5.67,.63,;5.67,-.66,;6.84,1.15,;7.93,.06,;9.26,.83,;10.6,.06,;11.93,.83,;13.26,.06,;14.6,.83,;15.69,-.26,;17.02,.51,;18.11,-.58,;19.77,.19,;20.78,-.58,;22.33,.52,;23.97,-.57,;24.75,.2,;27.2,.22,;28.53,-.55,;28.42,-2.64,;29.62,.54,;30.95,-.23,;32.11,.54,;32.11,2.08,;33.44,2.85,;34.78,2.08,;36.11,2.85,;37.45,2.08,;38.78,2.85,;40.11,2.08,;40.11,.54,;41.2,3.17,;40.5,4.54,;38.98,4.3,;37.89,5.39,;37.45,.54,;38.78,-.23,;40.11,-1,;36.11,-.23,;34.78,.54,;33.44,-.23,;32.97,-1.7,;33.97,-2.63,;35.51,-2.25,;33.53,-3.8,;31.99,-3.8,;31.22,-5.14,;31.99,-6.47,;33.53,-6.47,;34.3,-5.14,;31.43,-1.7,;30.66,-3.03,;2.08,1.42,;2.08,2.96,;.75,3.73,;-.58,2.96,;-1.92,3.73,;-3.25,2.96,;-4.58,3.73,;-5.92,2.96,;-5.92,1.42,;-7.01,4.05,;-6.31,5.42,;-4.79,5.18,;-3.7,6.27,)|
COc1cc2c3n([C@@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)Cn4c5cnc6cc(-c7c(C)noc7C)c(OC)cc6c5n([C@H](C)c5ccccn5)c4=O)c3cnc2cc1-c1c(C)noc1C |r,wD:70.74,7.7,(-6.8,-1.11,;-5.46,-.34,;-4.13,.43,;-2.8,-.34,;-1.46,.43,;-.13,-.34,;.35,-1.8,;-.66,-2.74,;-2.2,-2.35,;-.22,-3.91,;1.32,-3.91,;2.09,-5.24,;1.32,-6.58,;-.22,-6.58,;-.99,-5.24,;1.89,-1.8,;2.66,-3.14,;2.36,-.34,;3.7,.43,;5.45,-.22,;5.94,-1.68,;6.84,1.15,;8.15,.06,;9.26,.83,;10.6,.06,;11.93,.83,;13.26,.06,;14.6,.83,;15.69,-.26,;17.02,.51,;18.11,-.58,;19.77,.19,;20.78,-.58,;22.33,.52,;23.97,-.57,;24.75,.2,;26.09,-.57,;27.42,.2,;28.75,-.57,;30.09,.2,;31.42,-.57,;32.76,.2,;34.09,-.57,;35.42,.2,;36.76,-.57,;38.31,.33,;39.75,-.44,;39.64,-2.53,;40.84,.65,;42.17,-.12,;43.33,.65,;43.33,2.19,;44.66,2.96,;46,2.19,;47.33,2.96,;48.67,2.19,;50,2.96,;51.33,2.19,;51.33,.65,;52.42,3.28,;51.72,4.65,;50.2,4.41,;49.11,5.5,;48.67,.65,;50,-.12,;51.33,-.89,;47.33,-.12,;46,.65,;44.66,-.12,;44.19,-1.59,;45.19,-2.52,;46.73,-2.14,;44.75,-3.69,;43.21,-3.69,;42.44,-5.03,;43.21,-6.36,;44.75,-6.36,;45.52,-5.03,;42.65,-1.59,;41.88,-2.92,;1.2,.43,;1.2,1.97,;-.13,2.74,;-1.46,1.97,;-2.8,2.74,;-4.13,1.97,;-5.46,2.74,;-6.8,1.97,;-6.8,.43,;-7.89,3.06,;-7.19,4.43,;-5.67,4.19,;-4.58,5.28,)|
Cc1sc-2c(c1C)C(=N[C@H](CC(=O)NCCOCCNC(=O)C[C@@H]1N=C(c3c(C)c(C)sc3-n3c(C)nnc13)c1ccc(Cl)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8,25|
COC(=O)C[C@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)c1sc-2c(c1C)C(=N[C@@H](CC(=O)OC)c1nnc(C)n-21)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,41|
Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
CN1CCN(CC1)c1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(Cc3ccccc3)c2c1
Cc1cc(c[nH]c1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
CN1CCN(CC1)c1ccc2nc(-c3ccc(=O)n(C)c3)n(Cc3ccccc3)c2c1
CN1CCN(CC1)c1ccc2nc(-c3c[nH]c(=O)c(C)c3)n(Cc3ccccc3)c2c1
Cc1cc(cn(C)c1=O)-c1nc2ccc(N)cc2n1Cc1ccccc1
CN1CCN(CC1)c1ccc2nc(-c3cc(C)c(=O)n(C)n3)n(Cc3ccccc3)c2c1
Cc1cc(cn(C)c1=O)-c1nc2ccccc2n1Cc1ccccc1
Cn1nc(ccc1=O)-c1nc2ccccc2n1Cc1ccccc1
Cn1nc(ccc1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
Cn1cc(ncc1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
Cc1nc(cn(C)c1=O)-c1nc2ccccc2n1Cc1ccccc1
Cc1cc(cn(C)c1=O)-c1nc2ccc(cc2n1Cc1ccccc1)C#N
Cc1cc(cn(C)c1=O)-c1nc2ccc(cc2n1Cc1ccccn1)C1CCOCC1
C[C@@H](c1ccccn1)n1c(nc2ccc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
CC(C)c1ccc2nc(-c3cc(C)c(=O)n(C)c3)n([C@@H](C)c3ccccn3)c2c1 |r|
COC[C@H](C)n1c(nc2ccc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1 |r|
C[C@@H](c1ccccc1)n1c(nc2ccc(cc12)C1CN(C)CCO1)-c1cc(C)c(=O)n(C)n1 |r|
C[C@@H](c1ccccc1)n1c(nc2ccc(cc12)C1CCN(C)C(=O)C1)-c1cc(C)c(=O)n(C)c1 |r|
C[C@@H](c1ccccc1)n1c(nc2ccc(cc12)C1(CC1)C(F)(F)F)-c1cc(C)c(=O)n(C)c1 |r|
C[C@@H](c1ccccc1)n1c(nc2ccc(cc12)C1CN(C)CCO1)-c1cc(C)c(=O)n(C)c1 |r|
CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1
Cc1cc(cn(C)c1=O)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCOCC1
CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cc(C)c(=O)n(C)n1
Cc1cc(cn(C)c1=O)-c1nc2cnc(Cl)cc2n1Cc1ccccc1
CN(C)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1
COC[C@H](C)n1c(nc2cnc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1 |r|
Cc1cc(cn(C)c1=O)-c1nc2cnc(cc2n1Cc1ccccc1)-n1ccnc1
C[C@H]1COCCN1c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1 |r|
C[C@H]1COCCN1c1cc2n(Cc3ccccn3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1 |r|
C[C@@H](c1ccccc1)n1c(nc2cnc(cc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
CC(c1cccnc1)n1c(nc2cnc(OCC3CC3)cc12)-c1cc(C)c(=O)n(C)c1
Cc1cc(cn(C)c1=O)-c1nc2cnccc2n1Cc1ccc(Cl)cc1
CC1=CC(=NN(C1=O)C)c2nc3cnc(cc3n2[C@@H](C)c4ccccc4)C5CCOCC5
Cc1cc(cn(C)c1=O)-c1nc2cnccc2n1Cc1ccc(F)c(F)c1
C[C@@H](c1ccccn1)n1c(nc2cnc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1 |r|
C[C@@H](c1ccccc1)n1c(nc2cnc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1 |r|
CC(C)c1cc2n([C@@H](C)c3ccccn3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1 |r|
CC(c1ccccn1)n1c(nc2cnc(cc12)C1=CCOCC1)-c1cc(C)c(=O)n(C)c1 |t:20|
CC(c1ccccn1)n1c(nc2cnc(cc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1
C[C@@H](c1ccccn1)n1c(nc2cnc(OC3CCOC3)cc12)-c1cc(C)c(=O)n(C)c1 |r|
CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cn(C)c(=O)c(C)c1C
CC(CC1CC1)n1c(nc2cnc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1 |r|
C[C@H](c1ccccc1)n1c(nc2cnc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
CN1CCN(CC1)c1ccc2nc(-c3ccc(=O)n(C)c3)n(Cc3ccccc3)c2n1
Cc1cc(cn(C)c1=O)-c1nc2cccnc2n1Cc1ccccc1
CC(C)Oc1ccc2nc(-c3cc(C)c(=O)n(C)n3)n([C@@H](C)c3ccccc3)c2n1 |r|
CC(C)Oc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(C(C)c3ccccn3)c2n1
CC(c1ccccn1)n1c(nc2ccc(OC3CCN(C)CC3)nc12)-c1cc(C)c(=O)n(C)c1
Cc1cc(cn(C)c1=O)-c1nc2ncccc2n1Cc1ccccc1
Cc1cc(cn(C)c1=O)-c1nc2cc(Cl)cnc2n1Cc1ccccc1
Cc1cc(cn(C)c1=O)-c1nc2cc(cnc2n1Cc1ccccc1)N1CCOCC1
Cc1cc(cn(C)c1=O)-c1nc2cc(cnc2n1Cc1ccccc1)C1CCOCC1
CN(C)S(=O)(=O)c1cnc2n(Cc3ccccc3)c(nc2c1)-c1cc(C)c(=O)n(C)c1
C[C@@H](c1ccccc1)n1c(nc2cnc(nc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1 |r|
Cc1cc(cn(C)c1=O)-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1
C[C@@H](c1ccccc1)n1c(nc2cnc(nc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
CC1CC(=O)NN=C1c1ccc2n(Cc3ccccc3)c(nc2c1)-c1cc(N)c(=O)n(C)c1 |c:6|
CN1CCN(CC1)c1ccc2nc(-c3cc(N)c(=O)n(C)c3)n(Cc3ccccc3)c2c1
CNc1cc(cn(C)c1=O)-c1nc2ccccc2n1Cc1ccccc1
Cn1cc(ccc1=O)-c1nc2ccccc2n1Cc1ccccc1
Cn1cc(ccc1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
Cc1cc(cn(C)c1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
Cc1cc(c[nH]c1=O)-c1nc2ccccc2n1Cc1ccccc1
CCn1cc(cc(C)c1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCN(C)CC1
Cc1cc(cn(C)c1=O)-c1nc2ccc(F)cc2n1Cc1ccccc1
CN1CCN(CC1)c1ccc2nc(-c3cn(C)c(=O)c(C)n3)n(Cc3ccccc3)c2c1
CN1CCN(CC1)c1ccc2nc(-c3ccc(=O)n(C)n3)n(Cc3ccccc3)c2c1
Cn1cc(ncc1=O)-c1nc2ccccc2n1Cc1ccccc1
CN1CCN(CC1)c1ccc2nc(-c3cn(C)c(=O)cn3)n(Cc3ccccc3)c2c1
COc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(Cc3ccccc3)c2c1
CN(C)C(=O)c1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(Cc3ccccc3)c2c1
COC[C@H](C)n1c(nc2ccc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
COC[C@H](C)n1c(nc2ccc(cc12)C(C)C)-c1cc(C)c(=O)n(C)c1 |r|
Cc1cc(cn(C)c1=O)-c1nc2ccc(cc2n1Cc1ccccn1)C1(CC1)C(F)(F)F
COC[C@H](C)n1c(nc2ccc(N)cc12)-c1cc(C)c(=O)n(C)c1 |r|
COC[C@H](C)n1c(nc2ccc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)n1 |r|
C[C@@H](c1ccccc1)n1c(nc2ccc(cc12)C1CCN(C)C(=O)C1)-c1cc(C)c(=O)n(C)n1 |r|
Cc1cc(cn(C)c1=O)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1
CCn1cc(cc(C)c1=O)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1
CCn1cc(cc(C)c1=O)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCOCC1
Cc1cc(cn(C)c1=O)-c1nc2cnccc2n1Cc1ccccc1
CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cn(C)c(=O)c(C)n1
Cc1nc(cn(C)c1=O)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCOCC1
Cc1cc(cn(C)c1=O)-c1nc2cnc(cc2n1Cc1ccncc1)N1CCOCC1
Cc1cc(cn(C)c1=O)-c1nc2cnc(N)cc2n1Cc1ccccc1
C[C@H](c1ccccc1)n1c(nc2cnc(cc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
Cc1cc(cn(C)c1=O)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCOCC1
CC(c1ccccn1)n1c(nc2cnc(cc12)N1CCN(C)CC1)-c1cc(C)c(=O)n(C)c1
CC(C)c1cc2n([C@@H](C)c3ccccc3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1 |r|
C[C@@H](c1ccccc1)n1c(nc2cnc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
Cc1cc(cn(C)c1=O)-c1nc2cnccc2n1Cc1ccccc1F
COC[C@H](C)n1c(nc2cnc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)n1 |r|
Cn1cc(cc(Cl)c1=O)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCOCC1
C[C@@H](c1ccccn1)n1c(nc2cnc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
CC(c1ccccn1)n1c(nc2cnc(Cl)cc12)-c1cc(C)c(=O)n(C)c1
CC(C)Oc1cc2n([C@@H](C)c3ccccn3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1 |r|
CC(c1ccccn1)n1c(nc2cnc(cc12)C1=CCCCO1)-c1cc(C)c(=O)n(C)c1 |t:20|
C[C@@H](c1ccccc1)n1c(nc2cnc(N)cc12)-c1cc(C)c(=O)n(C)c1 |r|
CCOc1cc(=O)n(C)cc1-c1nc2cnc(cc2n1[C@@H](C)c1ccccc1)C1CCOCC1 |r|
Cn1cc(ccc1=O)-c1nc2cccnc2n1Cc1ccccc1
CC(C)Oc1ccc2nc(-c3cc(C)c(=O)n(C)n3)n([C@@H](C)c3ccccn3)c2n1 |r|
CCCOc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n([C@@H](C)c3ccccc3)c2n1 |r|
CC(c1ccccn1)n1c(nc2ccc(OC3CCCC3)nc12)-c1cc(C)c(=O)n(C)c1
CC1CC(=O)NN=C1c1ccc2n(Cc3ccccc3)c(nc2c1)-c1ccc(=O)n(C)c1 |c:6|
Cc1cc(cn(C)c1=O)-c1nc2ccncc2n1Cc1ccccc1
CN1CCN(CC1)c1cnc2n(Cc3ccccc3)c(nc2c1)-c1cc(C)c(=O)n(C)c1
Cc1cnc2n(Cc3ccccc3)c(nc2c1)-c1cc(C)c(=O)n(C)c1
Cc1cccc2nc(-c3cc(C)c(=O)n(C)c3)n(Cc3ccccn3)c12
Cc1cc(cn(C)c1=O)-c1nc2cc(N)cnc2n1Cc1ccccc1
Cc1cc(cn(C)c1=O)-c1nc2cnc(nc2n1Cc1ccccc1)N1CCOCC1
Cn1cc(cc(N)c1=O)-c1nc2ccccc2n1Cc1ccccc1
Cn1cc(cc(N)c1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
CN(Cc1ccccc1)c1cc(NC2CCN(C)CC2)c2nnc(C)n2n1
CN(Cc1ccccc1)c1cc(NC2CCOCC2)c2nnc(C)n2n1
CN(Cc1ccccc1)c1cc(N[C@H]2CCOC2)c2nnc(C)n2n1 |r|
CN(Cc1ccccc1)c1cc(N[C@@H]2CCOC2)c2nnc(C)n2n1 |r|
CNc1cc(nn2c(C)nnc12)N(C)Cc1ccccc1
CNc1cc(nn2c(C)nnc12)N(C)Cc1ccc(F)cc1
CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cnn(C)c1Cc1ccccc1
CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1ccnn1Cc1ccccc1
CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1[nH]c2ccccc2c1Cc1ccccc1
CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1c(Cc2ccccc2)c2ccccc2n1C
CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cc2ccccc2n1Cc1ccccc1
COCCN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cnn(C)c1Oc1ccccc1
CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cnn(C)c1Oc1ccccc1
COCCN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cn(C)nc1Cc1ccccc1
CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cn(C)nc1Cc1ccccc1
CNc1cc(nn2c(C)nnc12)-c1cn(C)nc1Cc1ccccc1
Cc1nnc2c(C)cc(nn12)-c1cn(C)nc1Cc1ccccc1
Cc1nnc2c(Cl)cc(nn12)-c1cn(C)nc1Cc1ccccc1
CSc1cc(nn2c(C)nnc12)-c1cn(C)nc1Cc1ccccc1
CNc1cc(nn2c(C)nnc12)-c1cnn(C)c1Oc1ccccc1
CNc1cc(nn2c(C)nnc12)-c1cn(C)nc1Oc1ccccc1
CC(C)Nc1cc(nn2c(C)nnc12)-c1cn(nc1Cc1ccccc1)C(C)C
CC(C)Nc1cc(nn2c(C)nnc12)-c1cnn(C)c1Oc1ccccc1
CC(C)Nc1cc(nn2c(C)nnc12)-c1cn(C)nc1Oc1ccccc1
CC(C)Nc1cc(nn2c(C)nnc12)-c1cn(C)nc1Cc1ccccc1
CC(C)Nc1cc(nn2c(C)nnc12)-c1cn(C)nc1Oc1ccccn1
CNc1cc(nn2c(C)nnc12)-c1cn(C)nc1Oc1ccccn1
CN(Cc1ccccc1)c1cc(NC2CCN(CC2)C(C)=O)c2nnc(C)n2n1
CCN1CCC(CC1)Nc1cc(nn2c(C)nnc12)N(C)Cc1ccccc1
COCCN1CCC(CC1)Nc1cc(nn2c(C)nnc12)N(C)Cc1ccccc1
CN(Cc1ccccc1)c1cc(NC2CCN(CC2)C=O)c2nnc(C)n2n1
CN(C)CCCS(=O)(=O)N1CCC(CC1)Nc1cc(nn2c(C)nnc12)N(C)Cc1ccccc1
CN(Cc1ccccc1)c1cc(NC2CCN(CC2)S(=O)(=O)C2CCNC2)c2nnc(C)n2n1
CN(Cc1ccccc1)c1cc(NC2CCN(CC2)S(=O)(=O)C2CCNCC2)c2nnc(C)n2n1
CN(Cc1ccccc1)c1cc(NC2CCN(CC2)S(=O)(=O)CCN)c2nnc(C)n2n1
CN(Cc1ccccc1)c1cc(NC2CCN(CC2)S(=O)(=O)C2CCN(C)CC2)c2nnc(C)n2n1
COCCn1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1
COC[C@@H](C)n1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
COC[C@H](C)n1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1CCOC(C)C)N1CCOCC1
CCOCCn1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@@H](C)COC)N1CCOCC1 |r|
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C[C@@H]1CCCO1)N1CCOCC1 |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C[C@@H]1CCCO1)N1CCOCC1 |r|
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1CC1CCCO1)N1CCOCC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C[C@H]1CCCO1)N1CCOCC1 |r|
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@H](C)COC)N1CCOCC1 |r|
COC[C@H](C)n1c(nc2cnc(cc12)N1CCOC[C@@H]1C)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@@H](C)COC)N1CCOC[C@@H]1C |r|
COC[C@H](C)n1c(nc2ccc(cc12)C1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
COC[C@H](C)n1c(nc2ccc(cc12)C(C)C)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
COC[C@H](C)n1c(nc2cc3c(cc12)N(C)C(=O)C3(C)C)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
COC[C@H](C)n1c(nc2cc3c(cc12)N(C(C)C)C(=O)C3(C)C)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
COC[C@H](C)n1c(nc2cnc(N)cc12)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
COC[C@H](C)n1c(nc2ccc(cc12)N1CCOC[C@@H]1C)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
COC[C@H](C)n1c(nc2ccc(N)cc12)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
COC[C@H](C)n1c(nc2cc3c(cc12)N(C(C)C)S(=O)(=O)C3(C)C)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
CC(C)OCCn1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC2CCN(C)CC2)n1
CC(C)OCCn1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC2CCN(CC2)S(C)(=O)=O)n1
COC[C@H](C)n1c(nc2ccc(cc12)C1CN(C)CCO1)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C(C)CC1CC1)N1CCOC[C@@H]1C |r|
COC[C@H](C)n1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(N)n1 |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C(C)CC(F)(F)F)N1CCOC[C@@H]1C |r|
COC[C@H](C)n1c(nc2ccc(nc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
COCCn1c(nc2nc(ccc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1
CNc1nc(cn2c(C)nnc12)-c1cn(C)nc1Cc1ccccc1
CNc1nc(cn2c(C)nnc12)-c1cnn(C)c1Oc1ccccc1
Cc1nnc2c(C)nc(cn12)-c1cnn(C)c1Oc1ccccc1
CNc1nc(cn2c(C)nnc12)-c1nn(C)c(C)c1Oc1ccccc1
CNc1nc(cn2c(C)nnc12)-c1nc(c(C)n1Cc1ccccc1)-c1ccccc1
CNc1nc(cn2c(C)nnc12)-c1nc(C)c(C)n1Cc1ccccc1
Cc1nc(-c2cn3c(C)nnc3c(C)n2)n(Cc2ccccc2)c1C
CN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1[C@@H](C)c1ccccc1 |r|
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1[C@H](C)c1ccccc1 |r|
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccc(F)cc1
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccc(F)c(F)c1
CNc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1
CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cn2c(C)nnc2c(C)n1
CNc1nc(cn2c(C)nnc12)-c1nc2cccnc2n1Cc1ccccc1
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(nc2n1Cc1ccccc1)N1CCN(C)CC1
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCN(C)CC1
CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccc1)C1=NNC(=O)CC1C |t:43|
CNc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccc1)C1=NNC(=O)CC1C |t:33|
CCNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@@H](C)c1ccccc1)N1CCOC[C@@H]1C |r|
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCN(C)CC1
CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N1CCN(C)CC1
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1
CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N1CCOCC1
Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 |r|
CNc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccn1)C1CCOCC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N1CCOCC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccc(F)cn1)N1CCOCC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOC[C@H]1C |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOC[C@@H]1C |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N(C)C
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N(C)C
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccn1
COc1ccc2nc(-c3cn4c(C)nnc4c(NC(C)C)n3)n(Cc3ccccn3)c2c1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(C)cc2n1Cc1ccccn1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(C)cc2n1Cc1ccccn1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnccc2n1Cc1ccccn1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1cccc(C)n1)N1CCOCC1
COc1cc2n(Cc3ccccn3)c(nc2cn1)-c1cn2c(C)nnc2c(NC(C)C)n1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)C(C)C
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@@H](C)c1ccccn1)N1CCOC[C@@H]1C |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@@H](C)c1ccccn1)C(C)C |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)C1CCOCC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)C1CCOCC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1[C@@H](C)c1ccccn1)C1CCOCC1 |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1[C@@H](C)c1ccccn1)C(C)C |r|
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCN(C)CC1
CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1cccnc1)N1CCN(C)CC1
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCOCC1
CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1cccnc1)N1CCOCC1
Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCOCC1 |r|
Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(C)cc2n1Cc1cccnc1 |r|
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccncc1)N1CCN(C)CC1
CCOC(=O)CC1OC(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
CCOC(=O)CC1OC(C2CCCCC2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
CCNC(=O)C[C@H]1O[C@H](c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
CCNC(=O)CC1OC(c2ccc(C)cn2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
CCOC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7|
CCOC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)C(F)(F)F |c:7|
CCOC(=O)CC1N=C(C)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7|
CCOC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)c1c(F)cccc1F |c:7|
CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7|
CCNC(=O)CC1N=C(C2CCCCC2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7|
CCNC(=O)CC1N=C(c2ccccn2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7|
COc1ccc2-c3cn(C)c(=O)cc3C(CC(N)=O)N=C(c3ccc(Cl)cc3)c2c1 |t:20|
CCNC(=O)CC1N=C(CC2CC2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7|
CCNC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)C(F)(F)F |c:7|
CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(ccc2-c2cn(C)c(=O)cc12)C(F)(F)F |t:7|
CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(F)ccc2-c2cn(C)c(=O)cc12 |t:7|
CCNC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)c1c(F)cccc1F |c:7|
CCNC(=O)CC1N=C(c2ccc(Cl)cc2C)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7|
CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1ccc(cc1)S(C)(=O)=O)N=S(C)(C)=O
Cn1cc(-c2cc(ccc2Oc2ccc(cc2F)C#N)N=S(C)(C)=O)c2cc[nH]c2c1=O
Cn1cc(-c2cc(ccc2Oc2ccc(cc2)S(C)(=O)=O)N=S(C)(C)=O)c2cc[nH]c2c1=O
Cn1cc(-c2cc(cnc2Oc2ccc(F)cc2F)N=S(C)(C)=O)c2cc[nH]c2c1=O
Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)N=S(C)(C)=O)c2cc[nH]c2c1=O
Cc1cccc(Cl)c1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]ccc12)N=S(C)(C)=O
CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1Cl)N=S(C)(C)=O
Cn1cc(-c2cc(ccc2Nc2ccc(F)cc2F)N=S(C)(C)=O)c2cc[nH]c2c1=O
Cc1ncccc1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]ccc12)N=S(C)(C)=O
CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)N=S(C)(C)=O
Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]ccc12)N=S(C)(C)=O
Cn1cc(-c2cc(ccc2OCC2CCOC2)N=S(C)(C)=O)c2cc[nH]c2c1=O
CCOC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)N=S(C)(C)=O
Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)N=S2(=O)CCCC2)c2cc[nH]c2c1=O
CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1Oc1c(C)cc(F)cc1C)N=S(C)(C)=O
Cc1cn(ccc1=O)-c1ccc(cc1-c1cn(C)c(=O)c2[nH]ccc12)N=S(C)(C)=O
Cn1cc(-c2nc(ccc2Oc2ccc(F)cc2F)N=S(C)(C)=O)c2cc[nH]c2c1=O
Cn1cc(-c2cc(N=S(C)(C)=O)ncc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Cc1cccc(Cl)c1Oc1ncc(cc1-c1cn(C)c(=O)c2[nH]ccc12)N=S(C)(C)=O
CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1Oc1c(C)cccc1Cl)N=S(C)(C)=O
Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)NCC(F)(F)F)N=S(C)(C)=O