SMILES for Serine/threonine-protein kinase Chk1 [2-280]

CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc3OCOc3c2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;8.88,2.85,;9.8,4.08,;9.21,5.5,;9.86,6.89,;8.74,7.94,;7.39,7.2,;7.68,5.69,;6.75,4.46,;.89,2.24,)|

BDBM225336

CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2cc(C)cc(C)c2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;6.75,4.46,;7.68,5.69,;7.08,7.11,;9.21,5.5,;9.8,4.08,;11.33,3.89,;8.88,2.85,;.89,2.24,)|

BDBM225337

CCN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4cccc(OC)c4)-c3c2)CC1

BDBM91882

CC(C)(C)OC(=O)N1CCC(C1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM91883

Clc1ccc(OC2CCNC2)c(NC(=O)Nc2cnc(cn2)C#N)c1

BDBM225338

CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)C(O)=O)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;6.75,4.46,;7.68,5.69,;9.21,5.5,;9.8,4.08,;8.88,2.85,;10.14,6.73,;9.54,8.14,;11.66,6.53,;.89,2.24,)|

BDBM91886

COc1cc(ccc1O)-c1ccc2c(Nc3c(O)cccc3NC2=O)c1

BDBM91887

COC(=O)C1CCCN1C(=O)c1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(O)c(OC)c1

BDBM225339

CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc3cc(ccc3c2)C(O)=O)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;6.75,4.46,;7.68,5.69,;9.21,5.5,;10.14,6.73,;11.66,6.53,;12.26,5.12,;11.33,3.89,;9.8,4.08,;8.88,2.85,;12.59,7.76,;12,9.18,;14.12,7.57,;.89,2.24,)|

BDBM225340

CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc3cc(O)ccc3c2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;6.75,4.46,;7.68,5.69,;9.21,5.5,;10.14,6.73,;11.66,6.53,;12.59,7.76,;12.26,5.12,;11.33,3.89,;9.8,4.08,;8.88,2.85,;.89,2.24,)|

BDBM225341

CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)-c2ccc(O)cc2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;6.75,4.46,;7.68,5.69,;9.21,5.5,;9.8,4.08,;8.88,2.85,;10.14,6.73,;9.54,8.14,;10.47,9.37,;12,9.18,;12.92,10.41,;12.59,7.76,;11.66,6.53,;.89,2.24,)|

BDBM91891

CCCN(CC)c1ccc(cc1NC(=O)Nc1cnc(cn1)C#N)C#N

BDBM91892

Clc1ccc(OCCCN2C(=O)c3ccccc3C2=O)c(NC(=O)Nc2cnc(cn2)C#N)c1

BDBM91893

CCCN(CC)c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM91894

Clc1ccc(C#N)c(NC(=O)Nc2cnc(cn2)C#N)c1

BDBM91896

COc1ccc(Br)cc1COc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM91897

CC(C)c1ccc(COc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)cc1

BDBM91898

Clc1ccc(OC2Cc3ccccc3C2)c(NC(=O)Nc2cnc(cn2)C#N)c1

BDBM91899

c1cc2c(cc1CC(=O)O)NC(=O)c3ccc(cc3N2)Cl

BDBM91900

COc1ccc(Cl)cc1NC(=O)Nc1cc(C(O)=O)c(cn1)C#N

BDBM91901

OC(=O)c1ccc(Cl)cc1Nc1ccc2c(Nc3ccccc3NC2=O)c1

BDBM91902

COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)NCCCN2CCOCC2)c1

BDBM91903

COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)N2CCCC2C(O)=O)c1

BDBM91904

Brc1ccc(N2CCCCC2)c(NC(=O)Nc2cnc(cn2)C#N)c1

BDBM91905

CCC1CCCCN1c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM91906

OC1CCCN(C1)c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM91907

CN(CC(O)c1ccccc1)c1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM91908

OC1CCN(C1)c1ccc(cc1NC(=O)Nc1cnc(cn1)C#N)C#N

BDBM91909

OC(=O)c1ccccc1-c1ccc2c(Nc3ccccc3NC2=O)c1

BDBM225342

OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(O)cc2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;6.75,4.46,;7.68,5.69,;9.21,5.5,;10.14,6.73,;9.8,4.08,;8.88,2.85,;.89,2.24,)|

BDBM91911

COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)N2CCCC2CO)c1

BDBM225344

CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccccc2F)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;8.88,2.85,;9.8,4.08,;9.21,5.5,;7.68,5.69,;6.75,4.46,;5.22,4.65,;.89,2.24,)|

BDBM91914

OC1CC(CC1O)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM91915

OC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM91917

CCOC(=O)CCCCCOc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM225345

ON1CC(Cl)=CC2=C1Nc1ccccc1C(=O)N2 |c:4,6|

BDBM91919

Cc1ccc(s1)-c1[nH]nc-2c1Cc1cc(CNC3CCC(O)CC3)ccc-21 |(-7.04,-6.31,;-5.56,-5.86,;-4.34,-6.79,;-3.07,-5.91,;-3.52,-4.44,;-5.06,-4.41,;-2.59,-3.21,;-3.04,-1.74,;-1.77,-.86,;-.55,-1.78,;-1.05,-3.24,;.18,-4.17,;1.44,-3.29,;2.94,-3.64,;3.99,-2.51,;5.49,-2.86,;6.55,-1.74,;8.05,-2.09,;9.1,-.97,;10.6,-1.32,;11.05,-2.79,;12.54,-3.14,;9.99,-3.91,;8.49,-3.56,;3.55,-1.04,;2.05,-.69,;.99,-1.82,)|

BDBM225346

OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc[nH]2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;8.89,3.01,;9.39,4.47,;8.16,5.4,;6.9,4.52,;.89,2.24,)|

BDBM225347

CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2cccc(CC(O)=O)c2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;8.88,2.85,;9.8,4.08,;9.21,5.5,;7.68,5.69,;7.08,7.11,;8.01,8.34,;7.41,9.75,;9.54,8.14,;6.75,4.46,;.89,2.24,)|

BDBM225348

CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccccc2N)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;8.88,2.85,;9.8,4.08,;9.21,5.5,;7.68,5.69,;6.75,4.46,;5.22,4.65,;.89,2.24,)|

BDBM225349

OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2cccc(CC(O)=O)c2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;8.88,2.85,;9.8,4.08,;9.21,5.5,;7.68,5.69,;7.08,7.11,;8.01,8.34,;7.41,9.75,;9.54,8.14,;6.75,4.46,;.89,2.24,)|

BDBM91924

NNC(=O)c1ccc(s1)-c1[nH]nc-2c1Cc1cc(CNC3CCC(O)CC3)ccc-21 |(-8.86,-8.26,;-7.39,-7.81,;-7.04,-6.31,;-8.16,-5.26,;-5.56,-5.86,;-4.34,-6.79,;-3.07,-5.91,;-3.52,-4.44,;-5.06,-4.41,;-2.59,-3.21,;-3.04,-1.74,;-1.77,-.86,;-.55,-1.78,;-1.05,-3.24,;.18,-4.17,;1.44,-3.29,;2.94,-3.64,;3.99,-2.51,;5.49,-2.86,;6.55,-1.74,;8.05,-2.09,;9.1,-.97,;10.6,-1.32,;11.05,-2.79,;12.54,-3.14,;9.99,-3.91,;8.49,-3.56,;3.55,-1.04,;2.05,-.69,;.99,-1.82,)|

BDBM91925

Nc1cccc(c1)-c1ccc2c(Nc3ccc(CC(O)=O)cc3NC2=O)c1

BDBM91926

Clc1ccc(OCC2CCCCC2)c(NC(=O)Nc2cnc(cn2)C#N)c1

BDBM91928

CN(C)CCN(C)c1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM91929

COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cccc(c1)C#N

BDBM225350

COC(=O)c1ccc(o1)-c1[nH]nc-2c1Cc1cc(CNC3CCC(O)CC3)ccc-21 |(-5.75,-10.61,;-5.72,-9.07,;-4.37,-8.33,;-3.05,-9.13,;-4.34,-6.79,;-5.56,-5.86,;-5.06,-4.41,;-3.52,-4.44,;-3.07,-5.91,;-2.59,-3.21,;-3.04,-1.74,;-1.77,-.86,;-.55,-1.78,;-1.05,-3.24,;.18,-4.17,;1.44,-3.29,;2.94,-3.64,;3.99,-2.51,;5.49,-2.86,;6.55,-1.74,;8.05,-2.09,;9.1,-.97,;10.6,-1.32,;11.05,-2.79,;12.54,-3.14,;9.99,-3.91,;8.49,-3.56,;3.55,-1.04,;2.05,-.69,;.99,-1.82,)|

BDBM91931

OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(s2)-c2ccc(C=O)s2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;8.89,3.01,;9.39,4.47,;8.16,5.4,;6.9,4.52,;8.19,6.94,;9.46,7.82,;9.01,9.29,;7.47,9.32,;6.59,10.58,;5.06,10.45,;6.97,7.87,;.89,2.24,)|

BDBM91932

OC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cccc(c1)[N+]([O-])=O

BDBM91933

COc1cc(ccn1)-c1ccc2c(Nc3ccc(CC(O)=O)cc3NC2=O)c1

BDBM225351

OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(o2)C(O)=O)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;6.9,4.52,;8.16,5.4,;9.39,4.47,;8.89,3.01,;10.87,4.91,;11.21,6.41,;11.99,3.86,;.89,2.24,)|

BDBM225352

OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccoc2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;6.9,4.52,;8.16,5.4,;9.39,4.47,;8.89,3.01,;.89,2.24,)|

BDBM225353

OCC(O)CNC(=O)c1ccc(o1)-c1[nH]nc-2c1Cc1cc(CNC3CCC(O)CC3)ccc-21 |(-8.47,-13.64,;-7.12,-12.9,;-7.09,-11.36,;-8.41,-10.56,;-5.75,-10.61,;-5.72,-9.07,;-4.37,-8.33,;-3.05,-9.13,;-4.34,-6.79,;-5.56,-5.86,;-5.06,-4.41,;-3.52,-4.44,;-3.07,-5.91,;-2.59,-3.21,;-3.04,-1.74,;-1.77,-.86,;-.55,-1.78,;-1.05,-3.24,;.18,-4.17,;1.44,-3.29,;2.94,-3.64,;3.99,-2.51,;5.49,-2.86,;6.55,-1.74,;8.05,-2.09,;9.1,-.97,;10.6,-1.32,;11.05,-2.79,;12.54,-3.14,;9.99,-3.91,;8.49,-3.56,;3.55,-1.04,;2.05,-.69,;.99,-1.82,)|

BDBM91937

COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(OC)cc1

BDBM91939

COc1cc(ccc1C(O)=O)-c1ccc2c(Nc3ccccc3NC2=O)c1

BDBM91940

Brc1nc(NC(=O)Nc2cnc(cn2)C#N)cc2ccccc12

BDBM91941

c1ccc2cnc(cc2c1)NC(=O)Nc3cnc(cn3)C#N

BDBM91942

OC(=O)c1ccc(NC(=O)Nc2cnc(cn2)C#N)c(OC(F)(F)F)c1

BDBM225354

ONC(=O)c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(CNC3CCC(O)CC3)ccc-21 |(-6.64,-10.77,;-5.71,-9.54,;-6.31,-8.12,;-7.84,-7.93,;-5.38,-6.89,;-5.98,-5.47,;-5.05,-4.25,;-3.52,-4.44,;-2.92,-5.86,;-3.85,-7.08,;-2.59,-3.21,;-3.04,-1.74,;-1.77,-.86,;-.55,-1.78,;-1.05,-3.24,;.18,-4.17,;1.44,-3.29,;2.94,-3.64,;3.99,-2.51,;5.49,-2.86,;6.55,-1.74,;8.05,-2.09,;9.1,-.97,;10.6,-1.32,;11.05,-2.79,;12.54,-3.14,;9.99,-3.91,;8.49,-3.56,;3.55,-1.04,;2.05,-.69,;.99,-1.82,)|

BDBM91944

CC(C)(C)c1ccc(NC(=O)Nc2cnc(cn2)C#N)cc1

BDBM14605

COc1cc(N)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM91945

CC(C)(C)OC(=O)N1CCC(C1)Oc1ccc(cc1NC(=O)Nc1cnc(cn1)C#N)C#N

BDBM225355

COc1cc(ccc1O)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(CNC3CCC(O)CC3)ccc-21 |(-6.97,-13.41,;-6.04,-12.19,;-6.64,-10.77,;-5.71,-9.54,;-6.31,-8.12,;-7.84,-7.93,;-8.77,-9.16,;-8.17,-10.58,;-9.1,-11.8,;-5.38,-6.89,;-5.98,-5.47,;-5.05,-4.25,;-3.52,-4.44,;-2.92,-5.86,;-3.85,-7.08,;-2.59,-3.21,;-3.04,-1.74,;-1.77,-.86,;-.55,-1.78,;-1.05,-3.24,;.18,-4.17,;1.44,-3.29,;2.94,-3.64,;3.99,-2.51,;5.49,-2.86,;6.55,-1.74,;8.05,-2.09,;9.1,-.97,;10.6,-1.32,;11.05,-2.79,;12.54,-3.14,;9.99,-3.91,;8.49,-3.56,;3.55,-1.04,;2.05,-.69,;.99,-1.82,)|

BDBM91947

COc1ccc(Cl)cc1NC(=O)Nc1ccc(I)cn1

BDBM91948

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)N(C)C)cc3NC2=O)c1

BDBM91949

CC(C)(C)OC(=O)NCCCCOc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM91950

COc1ccc(Nc2[nH]nc-3c2Cc2ccccc-32)cc1

BDBM91951

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(cc3NC2=O)-c2cccc(N)c2)c1

BDBM91952

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ncccc3NC2=O)c1

BDBM91953

OC1CCCC(Oc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)C1O

BDBM91954

COc1cc(ccc1O)-c1ccc(cc1)-c1[nH]nc2-c3ccccc3C(=O)c12

BDBM91955

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)NC(CO)c4ccccc4)cc3NC2=O)c1

BDBM91956

Oc1cccc2cc(NC(=O)Nc3cnc(cn3)C#N)ccc12

BDBM91957

c1cc(cc2c1cc(cc2)NC(=O)Nc3cnc(cn3)C#N)C(=O)O

BDBM225356

O=C(Nc1cc([nH]n1)-c1ccccc1)Nc1cnc(cn1)C#N

BDBM91960

O=C(Nc1cnc(cn1)C#N)Nc1cnc2ccccc2n1

BDBM91961

OC(C(O)=O)c1ccc2Nc3cc(Cl)ccc3C(=O)Nc2c1

BDBM225357

Oc1cc(NC(=O)Nc2cnc(cn2)C#N)n[nH]1

BDBM225358

OCc1ccc(cc1)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(O)ccc-21

BDBM225359

Oc1ccc(cc1)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(O)ccc-21

BDBM91965

COc1cc(ccc1C(=O)N1CCCC1CO)-c1ccc2c(Nc3ccccc3NC2=O)c1

BDBM91966

COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc(OC)ncc1C

BDBM91967

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(c1)N(C)c1ccccc1NC2=O

BDBM91968

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(N)cc3NC2=O)c1

BDBM91826

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(N)=O)cc3NC2=O)c1

BDBM225360

OCc1ccc2Cc3c(n[nH]c3-c3ccc(cc3)-c3ccc(O)cc3)-c2c1

BDBM91828

COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cncn1C

BDBM225361

CC(=O)Nc1cccc(c1)-c1[nH]nc-2c1Cc1cc(ccc-21)C(N)=O

BDBM225362

OC1CCC(CC1)NC(=O)c1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)-c2ccc(O)cc2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-2.11,2.94,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;6.75,4.46,;7.68,5.69,;9.21,5.5,;9.8,4.08,;8.88,2.85,;10.14,6.73,;9.54,8.14,;10.47,9.37,;12,9.18,;12.92,10.41,;12.59,7.76,;11.66,6.53,;.89,2.24,)|

BDBM91831

COc1cc(NC(=O)CCCCCCC(O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM225363

Oc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)-c2cc[nH]c(=O)c2)c1

BDBM91833

COc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

BDBM91834

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(=O)Cc4cnc[nH]4)cc3NC2=O)c1

BDBM225364

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(=O)c4cc[nH]n4)cc3NC2=O)c1

BDBM91837

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(=O)c4cn[nH]c4)cc3NC2=O)c1

BDBM91838

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(=O)CCS(=O)(=O)c4ccccc4)cc3NC2=O)c1

BDBM91839

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(=O)c4ccccn4)cc3NC2=O)c1

BDBM91840

COc1cc(ccc1Cl)-c1ccc2c(Nc3ccc(CC(=O)N4CCCC(O)C4)cc3NC2=O)c1

BDBM225365

CNC(=O)c1ccc2Cc3c(n[nH]c3-c3ccc(cc3)C(O)=O)-c2c1

BDBM225366

COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)-c3ccc(O)cc3)-c2cc1OC

BDBM225368

COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)-c3cccc(N)c3)-c2cc1OC

BDBM91842

COC(=O)Cc1ccc2Nc3cc(c(C)cc3C(=O)Nc2c1)-c1ccc(c(OC)c1)[N+]([O-])=O

BDBM225369

COc1cc(ccc1O)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(ccc-21)C(=O)NC1CCC(O)CC1 |(-6.97,-13.41,;-6.04,-12.19,;-6.64,-10.77,;-5.71,-9.54,;-6.31,-8.12,;-7.84,-7.93,;-8.77,-9.16,;-8.17,-10.58,;-9.1,-11.8,;-5.38,-6.89,;-5.98,-5.47,;-5.05,-4.25,;-3.52,-4.44,;-2.92,-5.86,;-3.85,-7.08,;-2.59,-3.21,;-3.04,-1.74,;-1.77,-.86,;-.55,-1.78,;-1.05,-3.24,;.18,-4.17,;1.44,-3.29,;2.94,-3.64,;3.99,-2.51,;3.55,-1.04,;2.05,-.69,;.99,-1.82,;5.49,-2.86,;5.94,-4.34,;6.55,-1.74,;8.05,-2.09,;9.1,-.97,;10.6,-1.32,;11.05,-2.79,;12.54,-3.14,;9.99,-3.91,;8.49,-3.56,)|

BDBM91844

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(OCCN4CCOCC4)cc3NC2=O)c1

BDBM91845

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)N4CCOCC4)cc3NC2=O)c1

BDBM91846

COc1cc(ccc1[N+]([O-])=O)-c1cc2Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC(=O)c2cc1C

BDBM91847

COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1

BDBM225370

COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)-c3nn[nH]n3)-c2cc1OC

BDBM91848

COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cccc2ccccc12