605 SMILES Strings for Polycomb protein EED

Compound Name
SMILES String
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26|
CN(C)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O |r|
Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4ccccc4OC
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2ccccc12 |r|
Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)[C@H]4CCc5c4c(ccc5)F
Cc1cc(-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)n(C)n1
Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CC(C)n1cc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
COc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C1CC1
OCc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1nc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C1CC1
CC(C)Oc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
[O-][n+]5cccc(c3cnc(NCc2c(F)ccc1OCCc12)n4cnnc34)c5
CN(C)Cc1ccc(cc1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
C(Nc1ncc(-c2ccccc2)c2nncn12)c1cccc2OCCc12
CC(N1CCCC1)c1ccc(cc1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN(C)S(=O)(=O)c1ccc(cc1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
C(Nc1ncc(-c2cccnc2)c2nncn12)c1cccc2OCCc12
C(Nc1ncc(-c2ccncc2)c2nncn12)c1cccc2OCCc12
CN1CCN(CC1)c1cc(ccn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CS(=O)(=O)Nc1ccc(cc1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN1CCN(CC1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
COc1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CC1Cc2c(O1)cccc2CNc1ncc(-c2ccc(CN(C)C)cc2)c2nncn12
CN(C)Cc1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1nn(C)c(C)c1-c1cnc(NCc2cccc3OCCc23)n2cnnc12 |(-5.91,-1.21,;-5.14,-2.54,;-5.62,-4.01,;-4.37,-4.91,;-4.37,-6.45,;-3.12,-4.01,;-1.79,-4.78,;-3.6,-2.54,;-2.51,-1.45,;-1.02,-1.85,;.07,-.76,;-.33,.72,;.76,1.81,;2.24,1.41,;3.33,2.5,;4.82,2.11,;5.91,3.19,;5.51,4.68,;4.02,5.08,;3.32,6.45,;1.8,6.21,;1.56,4.69,;2.93,3.99,;-1.82,1.12,;-2.52,2.5,;-4.04,2.25,;-4.28,.73,;-2.91,.03,)|
Cn1cc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CS(=O)(=O)c1ccc(c(F)c1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CS(=O)(=O)c1cccc(c1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CS(=O)(=O)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
O=S(=O)(C1CCNCC1)c1ccc(cc1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Cc1nn(C)cc1-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Fc1ccccc1-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Clc1ccccc1-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CS(=O)(=O)Nc1ccc(cc1F)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
OCCn1cc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN(C)CCc1ccc(cc1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN1CCN(CC1)c1ncc(cc1C)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
OCCOc1ccc(cc1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CS(=O)(=O)Nc1ccc(cc1F)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
OCCNS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
O=C(N1CCNCC1)c1ccc(cc1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN(C)C(=O)c1ccc(cc1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN(C)C(=O)c1cccc(c1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(-c2cccnc2)c2nncn12
Fc1ccc2OCCc2c1CNc1ncc(-c2ccncc2)c2nncn12
CC(N1CCCC1)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(-c2cnccc2F)c2nncn12
Nc1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN(C)C(=O)c1ccc(cc1C)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Clc1ccncc1-c1cnc(NCc2cccc3OCCc23)n2cnnc12
C(Nc1ncc(-c2cncnc2)c2nncn12)c1cccc2OCCc12
Cc1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN(C)CCc1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
COc1ncc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN(C)C(=O)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CS(=O)(=O)c1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Nc1cc(F)c(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Cc1noc(C)c1-c1cnc(NCc2cccc3OCCc23)n2cnnc12 |(-5.91,-1.98,;-5.14,-3.31,;-5.62,-4.78,;-4.37,-5.68,;-3.12,-4.78,;-1.79,-5.55,;-3.6,-3.31,;-2.51,-2.22,;-1.02,-2.62,;.07,-1.53,;-.33,-.05,;.76,1.04,;2.24,.64,;3.33,1.73,;4.82,1.34,;5.91,2.42,;5.51,3.91,;4.02,4.31,;3.32,5.68,;1.8,5.44,;1.56,3.92,;2.93,3.22,;-1.82,.35,;-2.52,1.73,;-4.04,1.48,;-4.28,-.04,;-2.91,-.74,)|
Cc1ncc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN(C)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
N#Cc1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CCOc1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Cc1c(cnn1C)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
C(Nc1ncc(-c2ccc(nc2)C2CC2)c2nncn12)c1cccc2OCCc12
COCCn1nc(C)c(c1C)-c1cnc(NCc2cccc3OCCc23)n2cnnc12 |(-8.34,-3.4,;-7.25,-4.49,;-5.76,-4.09,;-4.67,-5.18,;-3.19,-4.78,;-1.94,-5.68,;-.69,-4.78,;.64,-5.55,;-1.17,-3.31,;-2.71,-3.31,;-3.48,-1.98,;-.08,-2.22,;1.41,-2.62,;2.5,-1.53,;2.1,-.05,;3.19,1.04,;4.67,.64,;5.76,1.73,;7.25,1.34,;8.34,2.42,;7.94,3.91,;6.45,4.31,;5.75,5.68,;4.23,5.44,;3.99,3.92,;5.36,3.22,;.61,.35,;-.09,1.73,;-1.61,1.48,;-1.85,-.04,;-.48,-.74,)|
Cc1nn(CCO)c(C)c1-c1cnc(NCc2cccc3OCCc23)n2cnnc12 |(-5.54,-.29,;-4.77,-1.63,;-5.24,-3.09,;-4,-4,;-4.4,-5.48,;-5.88,-5.88,;-6.28,-7.37,;-2.75,-3.09,;-1.42,-3.86,;-3.23,-1.63,;-2.14,-.54,;-.65,-.94,;.44,.15,;.04,1.64,;1.13,2.73,;2.62,2.33,;3.71,3.42,;5.19,3.02,;6.28,4.11,;5.88,5.6,;4.4,6,;3.7,7.37,;2.18,7.13,;1.93,5.61,;3.31,4.91,;-1.45,2.04,;-2.15,3.41,;-3.67,3.17,;-3.91,1.65,;-2.54,.95,)|
O=C(N1CCOCC1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
C(Nc1ncc(-c2ccc(nc2)N2CCOCC2)c2nncn12)c1cccc2OCCc12
Cc1cc(cnc1S(C)(=O)=O)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Cc1noc(C)c1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |(-5.91,-1.98,;-5.14,-3.31,;-5.62,-4.78,;-4.37,-5.68,;-3.12,-4.78,;-1.79,-5.55,;-3.6,-3.31,;-2.51,-2.22,;-1.02,-2.62,;.07,-1.53,;-.33,-.05,;.76,1.04,;2.24,.64,;3.33,1.73,;2.93,3.22,;1.56,3.92,;1.8,5.44,;3.32,5.68,;4.02,4.31,;5.51,3.91,;5.91,2.42,;4.82,1.34,;5.22,-.15,;-1.82,.35,;-2.52,1.73,;-4.04,1.48,;-4.28,-.04,;-2.91,-.74,)|
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1cc(cnc1N1CCOCC1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CC1CN(CC(C)O1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CS(=O)(=O)CCOc1ccc(cc1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Nc1ccncc1-c1cnc(NCc2cccc3OCCc23)n2cnnc12
C(Nc1ncc(-c2cncc(c2)N2CCNCC2)c2nncn12)c1cccc2OCCc12
FC(F)Oc1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CNC(=O)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
O=C(N1CCCC1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
C(Nc1ncc(-c2ccc(nc2)N2CCSCC2)c2nncn12)c1cccc2OCCc12
CC(C)n1cc(c(C)n1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
COCc1ncc(cc1C)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CC(O)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Fc1ccncc1-c1cnc(NCc2cccc3OCCc23)n2cnnc12
COCCc1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
O=C1CCCN1c1cncc(c1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN(C)c1ncc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN(C)CCc1cccc(c1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CC1(C)COC(=N1)c1cncc(c1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12 |c:5|
Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)N2CCSCC2)c2nncn12
Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)N2CCOCC2)c2nncn12
Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)C#N)c2nncn12
Fc1ccc2OCCc2c1CNc1ncc(-c2ccccc2F)c2nncn12
CN(C)C(=O)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CC1CCCN1c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
COC(=O)N1CCN(CC1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CS(=O)(=O)CCCOc1cncc(c1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CC(C)(O)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
FC1(F)CCN(CCc2ccc(cn2)-c2cnc(NCc3cccc4OCCc34)n3cnnc23)C1
CC1(C)COC(=N1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12 |c:5|
CN(C)CCN(C)C(=O)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Cc1cc(cnc1N1CCCC1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
O=C1CN(CCN1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Cc1cc(cnc1N1CCNC(=O)C1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CS(=O)(=O)CCOc1cncc(c1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
O=CN1CCN(CCc2ccc(cn2)-c2cnc(NCc3cccc4OCCc34)n3cnnc23)CC1
CC(=O)N1CCN(CCc2ccc(cn2)-c2cnc(NCc3cccc4OCCc34)n3cnnc23)CC1
O=C1CN(CCc2ccc(cn2)-c2cnc(NCc3cccc4OCCc34)n3cnnc23)CCN1
OCCC1CCN(CCc2ccc(cn2)-c2cnc(NCc3cccc4OCCc34)n3cnnc23)CC1
CNc1cc(F)c(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN(C)c1cc(F)c(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
O=CN1CCCN(CC1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CCNC(=O)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(-c2cccnc2F)c2nncn12
Cc1cc(ccn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
O=C1OCCN1c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Cc1ccncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)C2CC2)c2nncn12
Fc1ccc2OCCc2c1CNc1ncc(-c2ccnc(c2)N2CCOCC2)c2nncn12
Fc1ccc2OCCc2c1CNc1ncc(-c2ccccc2C#N)c2nncn12
NC(=O)c1ccccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1ncccc1-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(-c2cnccc2Cl)c2nncn12
O=C1CNCCN1c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
OC1CN(C1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Cc1cc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
Cc1cc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)C(=O)N2CCCC2)c2nncn12
Cc1cc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C(=O)N1CCCC1
CN(C)C(=O)c1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1nn(C)c(C)c1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |(-5.91,-1.21,;-5.14,-2.54,;-5.62,-4.01,;-4.37,-4.91,;-4.37,-6.45,;-3.12,-4.01,;-1.79,-4.78,;-3.6,-2.54,;-2.51,-1.45,;-1.02,-1.85,;.07,-.76,;-.33,.72,;.76,1.81,;2.24,1.41,;3.33,2.5,;2.93,3.99,;1.56,4.69,;1.8,6.21,;3.32,6.45,;4.02,5.08,;5.51,4.68,;5.91,3.19,;4.82,2.11,;5.22,.62,;-1.82,1.12,;-2.52,2.5,;-4.04,2.25,;-4.28,.73,;-2.91,.03,)|
O=C1CN(Cc2ccc(cn2)-c2cnc(NCc3cccc4OCCc34)n3cnnc23)CCN1
O=CN1CCN(CC1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CN(C)C(=O)CCc1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(-c2cnccc2C(F)(F)F)c2nncn12
COCc1cc(cnc1C)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
COc1cc(Cl)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
CN(C)C(=O)c1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
COc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
COc1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CCn1nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CC(C)n1nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
COc1cc(ccn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(Cl)cc2Cl)c2nncn12
Cn1cc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CC(C)n1cc(c(n1)C(F)(F)F)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
C(Nc1ncc(-c2cnn(c2)C2CC2)c2nncn12)c1cccc2OCCc12
Fc1ccc2OCCc2c1CNc1ncc(-c2cnn(c2)C2CC2)c2nncn12
CC(C)n1nc(C)c(c1C)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |(-7.05,-3.6,;-5.96,-4.69,;-6.36,-6.17,;-4.47,-4.29,;-3.23,-5.19,;-1.98,-4.29,;-.65,-5.06,;-2.46,-2.82,;-4,-2.82,;-4.77,-1.49,;-1.37,-1.73,;.12,-2.13,;1.21,-1.04,;.81,.44,;1.9,1.53,;3.39,1.14,;4.47,2.22,;4.08,3.71,;2.7,4.41,;2.94,5.93,;4.47,6.17,;5.16,4.8,;6.65,4.4,;7.05,2.91,;5.96,1.83,;6.36,.34,;-.68,.84,;-1.38,2.22,;-2.9,1.97,;-3.14,.45,;-1.77,-.25,)|
Cn1nccc1-c1cnc(NCc2cccc3OCCc23)n2cnnc12
CC(C)n1nc(C)c(c1C)-c1cnc(NCc2cccc3OCCc23)n2cnnc12 |(-7.05,-3.6,;-5.96,-4.69,;-6.36,-6.17,;-4.47,-4.29,;-3.23,-5.19,;-1.98,-4.29,;-.65,-5.06,;-2.46,-2.82,;-4,-2.82,;-4.77,-1.49,;-1.37,-1.73,;.12,-2.13,;1.21,-1.04,;.81,.44,;1.9,1.53,;3.39,1.14,;4.47,2.22,;5.96,1.83,;7.05,2.91,;6.65,4.4,;5.16,4.8,;4.47,6.17,;2.94,5.93,;2.7,4.41,;4.08,3.71,;-.68,.84,;-1.38,2.22,;-2.9,1.97,;-3.14,.45,;-1.77,-.25,)|
FC(F)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
COc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1nc(N)ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc(c(Cl)c1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1nn(CCO)c(C)c1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |(-5.54,-.29,;-4.77,-1.63,;-5.24,-3.09,;-4,-4,;-4.4,-5.48,;-5.88,-5.88,;-6.28,-7.37,;-2.75,-3.09,;-1.42,-3.86,;-3.23,-1.63,;-2.14,-.54,;-.65,-.94,;.44,.15,;.04,1.64,;1.13,2.73,;2.62,2.33,;3.71,3.42,;3.31,4.91,;1.93,5.61,;2.18,7.13,;3.7,7.37,;4.4,6,;5.88,5.6,;6.28,4.11,;5.19,3.02,;5.59,1.53,;-1.45,2.04,;-2.15,3.41,;-3.67,3.17,;-3.91,1.65,;-2.54,.95,)|
COCCn1nc(C)c(c1C)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |(-8.52,-2.73,;-7.43,-3.82,;-5.94,-3.42,;-4.85,-4.51,;-3.36,-4.11,;-2.46,-5.36,;-.99,-4.88,;.34,-5.65,;-.99,-3.34,;-2.46,-2.87,;-3.23,-1.53,;.1,-2.25,;1.58,-2.65,;2.67,-1.56,;2.27,-.08,;3.36,1.01,;4.85,.61,;5.94,1.7,;5.54,3.19,;4.17,3.89,;4.41,5.41,;5.93,5.65,;6.63,4.28,;8.12,3.88,;8.52,2.39,;7.43,1.31,;7.83,-.18,;.79,.32,;.09,1.69,;-1.43,1.45,;-1.67,-.07,;-.3,-.77,)|
Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)C(F)(F)F)c2nncn12
COc1cc(F)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(-c2ccncc2Cl)c2nncn12
Cc1cnccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1nc(F)ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1cc(F)ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
FC(F)c1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cn1nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cn1cc(c(n1)C(F)(F)F)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CC(=O)NCc1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1c(cnn1C)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1cc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C1CC1
COc1ncc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
COc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1ncncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1nccc(c1C)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1cc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C#N
Cc1nn(C2CC2)c(C)c1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |(-5.91,-.54,;-5.14,-1.88,;-5.62,-3.34,;-4.37,-4.25,;-4.37,-5.79,;-5.14,-7.12,;-3.6,-7.12,;-3.12,-3.34,;-1.79,-4.11,;-3.6,-1.88,;-2.51,-.79,;-1.02,-1.19,;.07,-.1,;-.33,1.39,;.76,2.48,;2.24,2.08,;3.33,3.17,;2.93,4.66,;1.56,5.36,;1.8,6.88,;3.32,7.12,;4.02,5.75,;5.51,5.35,;5.91,3.86,;4.82,2.77,;5.22,1.28,;-1.82,1.79,;-2.52,3.16,;-4.04,2.92,;-4.28,1.4,;-2.91,.7,)|
Cc1c(F)nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1c(ccnc1C(F)F)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1c(CF)nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1cnc(F)cc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1cnc(cc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C(F)(F)F
Fc1ccc2OCCc2c1CNc1ncc(-c2ccnc(c2)C(F)(F)F)c2nncn12
C[C@@H](O)Cn1nc(C)c(c1C)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |r,wD:1.1,(-5.91,-2.6,;-6.31,-4.09,;-7.79,-4.49,;-5.22,-5.18,;-3.73,-4.78,;-2.48,-5.68,;-1.24,-4.78,;.1,-5.55,;-1.71,-3.31,;-3.25,-3.31,;-4.02,-1.98,;-.63,-2.22,;.86,-2.62,;1.95,-1.53,;1.55,-.05,;2.64,1.04,;4.13,.64,;5.22,1.73,;4.82,3.22,;3.45,3.92,;3.69,5.44,;5.21,5.68,;5.91,4.31,;7.4,3.91,;7.79,2.42,;6.71,1.34,;7.1,-.15,;.06,.35,;-.63,1.73,;-2.16,1.48,;-2.4,-.04,;-1.02,-.74,)|
C[C@H](O)Cn1nc(C)c(c1C)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |r,wU:1.1,(-5.91,-2.6,;-6.31,-4.09,;-7.79,-4.49,;-5.22,-5.18,;-3.73,-4.78,;-2.48,-5.68,;-1.24,-4.78,;.1,-5.55,;-1.71,-3.31,;-3.25,-3.31,;-4.02,-1.98,;-.63,-2.22,;.86,-2.62,;1.95,-1.53,;1.55,-.05,;2.64,1.04,;4.13,.64,;5.22,1.73,;4.82,3.22,;3.45,3.92,;3.69,5.44,;5.21,5.68,;5.91,4.31,;7.4,3.91,;7.79,2.42,;6.71,1.34,;7.1,-.15,;.06,.35,;-.63,1.73,;-2.16,1.48,;-2.4,-.04,;-1.02,-.74,)|
CC(C)n1ncc(c1C)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1c(cnn1CCO)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1nn(CCO)cc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
FC(F)c1ncncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(-c2ccnn2C2CC2)c2nncn12
FCc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1cc(c(C)cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1nn(C)cc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CCOc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1cc(OC(F)F)ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1cnc(cc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C(F)F
CN(C)C(=O)c1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cn1cc(c(n1)C(F)F)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1ccc(-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)c(n1)C(F)F
Fc1ccc2OCCc2c1CNc1ncc(-c2ccnnc2)c2nncn12
Cc1ncccc1-c1c(C)nc(NCc2c3CCOc3ccc2F)n2cnnc12 |(-5.35,-1.32,;-4.95,-2.81,;-6.04,-3.9,;-5.64,-5.39,;-4.16,-5.79,;-3.07,-4.7,;-3.47,-3.21,;-2.38,-2.12,;-.89,-2.52,;-.49,-4.01,;.2,-1.43,;-.2,.06,;.89,1.15,;2.38,.75,;3.47,1.84,;3.07,3.32,;1.7,4.02,;1.94,5.54,;3.46,5.79,;4.16,4.41,;5.64,4.01,;6.04,2.53,;4.95,1.44,;5.35,-.05,;-1.69,.46,;-2.39,1.83,;-3.91,1.59,;-4.15,.07,;-2.78,-.63,)|
Cc1nc(NCc2c3CCOc3ccc2F)n2cnnc2c1-c1ccc[n+]([O-])c1C |(-.49,-3.26,;-.89,-1.78,;.2,-.69,;-.2,.8,;.89,1.89,;2.38,1.49,;3.47,2.58,;3.07,4.07,;1.7,4.77,;1.94,6.29,;3.46,6.53,;4.16,5.16,;5.64,4.76,;6.04,3.27,;4.95,2.18,;5.35,.69,;-1.69,1.2,;-2.39,2.57,;-3.91,2.33,;-4.15,.81,;-2.78,.11,;-2.38,-1.38,;-3.47,-2.47,;-4.95,-2.07,;-6.04,-3.16,;-5.64,-4.64,;-4.16,-5.04,;-3.76,-6.53,;-3.07,-3.95,;-1.58,-4.35,)|
Fc1ccc2OCCc2c1CNc1ncc(-c2cnccn2)c2nncn12
Fc1ccc2OCCc2c1CNc1ncc(-c2cncnc2)c2nncn12
Cc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cnc(NCc2cccc3occc23)n2cnnc12
CN1CCN(CC1)c1ccc(cc1)-c1cnc(NCc2cccc3occc23)n2cnnc12
CC(N1CCCC1)c1ccc(cc1)-c1cnc(NCc2cccc3occc23)n2cnnc12
CN1CCN(CC1)c1ccc(cn1)-c1cnc(NCc2cccc3occc23)n2cnnc12
CN1CCN(CC1)c1cc(ccn1)-c1cnc(NCc2cccc3occc23)n2cnnc12
C(Nc1ncc(-c2cccnc2)c2nncn12)c1cccc2occc12
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2cccc3occc23)n2cnnc12
CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(NCc2cccc3occc23)n2cnnc12
O=C(N1CCCC1)c1ccc(cc1)-c1cnc(NCc2cccc3occc23)n2cnnc12
C(Nc1ncc(-c2ccccc2)c2nncn12)c1cccc2occc12
C(Nc1ncc(-c2ccncc2)c2nncn12)c1cccc2occc12
CN(C)Cc1ccc(cc1)-c1cnc(NCc2c(F)ccc3occc23)n2cnnc12
CN1CCC(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(NCc2cccc3occc23)n2cnnc12
Cc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CN(C)Cc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1nc(OC2CC2)ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CCOc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cn1ncc(c1CO)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1cnc(Cl)cc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CCc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
COc1nccc(c1C)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(-c2ccccn2)c2nncn12
Cc1cncc(c1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1cn(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
OCc1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(F)c2nncn12
Cc1cn(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(-n2cccn2)c2nncn12
Cc1ncn(n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cc1cnn(c1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(-n2ccnc2)c2nncn12
Fc1ccc2OCCc2c1CNc1ncc(-n2cncn2)c2nncn12
Cc1ncccc1-c1cnc(NCc2c3C(O)COc3ccc2F)n2cnnc12
OCc1ncccc1-c1cnc(NCc2c3C(O)COc3ccc2F)n2cnnc12
Cc1c(ccc[n+]1[O-])-c1cnc(NCc2c3C(O)COc3ccc2F)n2cnnc12
Cc1ncc(-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)n1C
CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1ccccc1 |r|
COc1ccc(cc1OC)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1N(C)C |r|
COc1ccc(cc1OC)[C@H]1CN(C[C@@H]1N(C)C)C1CCc2cccc(F)c12 |r|
CN(C)[C@@H]1CN(Cc2c(F)cccc2Br)C[C@H]1c1cn(C)c2ccccc12 |r|
Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4c(cccc4Br)F
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)S(C)(=O)=O |r|
CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1ccccn1 |r|
CN(C)[C@H]1CN(Cc2c(F)cc(O)cc2Br)C[C@@H]1c1cn(C)c2ccccc12 |r|
COc1ccccc1N1CCN(CC1)C(=O)c1ccccc1S(C)(=O)=O
CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)C1CCc2cccc(F)c12 |r|
CN(C)[C@@H]1CN(Cc2c(C)cccc2F)C[C@H]1c1ccc(cc1)S(C)(=O)=O |r|
C1Cc2ccccc2CN1c1ccncc1
CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@@H]1CCc2cccc(F)c12 |r|
CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@H]1CCc2cccc(F)c12 |r|
CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@@H]1CCc2cccc(F)c12 |r|
CN(C)c1cc(ccn1)N1CCc2ccccc2C1
COc1ccc(cc1OC)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1N(C)C |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O |r|
CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@H]1CCc2cccc(F)c12 |r|
CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1ccc(O)cc1 |r|
CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r|
COc1cccc(CC2CCCNC2)c1
NC(=N)N1CCCC(Cc2cccc3occc23)C1
NC(=N)N1CCCC(Cc2cccc3OCOc23)C1
Nc1ncc2CCC(Cc3cccc4OCOc34)Cn12
NC(=N)N1CCCC(Cc2cccc3ccoc23)C1
Nc1ncc2CCC(Cc3cccc4occc34)Cn12
C(C1CCCNC1)c1ccccc1
COc1ccccc1CC1CCCNC1
COc1ccc(CC2CCCNC2)cc1
C(C1CCCNC1)c1cccc2ccoc12
C(C1CCCNC1)c1cccc2occc12
C(C1CCCNC1)c1cccc2OCOc12
CC(C)c1nc(N)n2CCCC(Cc3cccc4OCOc34)c12
CC(C)c1nc(N)n2CC(Cc3ccccc3F)CCc12
NC(=O)N1CCCC(Cc2cccc3ccoc23)C1
CN1C[C@H](C[C@@H]2[C@@H]1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC
COc1ccc(F)c(CC2CCc3c(nc(N)n3C2)C(C)C)c1
COc1cc(CC2CCCNC2)ccc1F
COc1cccc(CC2CCCN(C2)C(N)=N)c1
CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
[H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCCN(C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(N)=O |r|
[H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCCN(C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O |r|
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CO)NC(=O)C1CCCCC1)C(N)=O |r|
C(Nc1ncc(-c2ccccc2)c2cncn12)c1ccco1
CCOC(=O)c1ncn2c(NCc3ccco3)ncc(-c3ccccc3)c12
CNC(=O)c1ncn2c(NCc3ccco3)ncc(-c3ccccc3)c12
CCOC(=O)c1ncn2c(NCc3ccccc3)ncc(-c3ccccc3)c12
CCOC(=O)c1ncn2c(NCc3ccccc3OC)ncc(-c3ccccc3)c12
CCOC(=O)c1ncn2c(NCc3c(F)cccc3OC)ncc(-c3ccccc3)c12
CCOC(=O)c1ncn2c(NCc3cc(OC)ccc3F)ncc(-c3ccccc3)c12
CCOC(=O)c1ncn2c(NCc3ccc(OC)cc3F)ncc(-c3ccccc3)c12
CCOC(=O)c1ncn2c(NCc3cccc4OCOc34)ncc(-c3ccccc3)c12
CCOC(=O)c1ncn2c(NCc3cccc4CCOc34)ncc(-c3ccccc3)c12
CCOC(=O)c1ncn2c(NCc3cccc4OCCc34)ncc(-c3ccccc3)c12
CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccccc3)c12
CNC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccccc3)c12
Fc1ccc2OCCc2c1CNc1ncc(-c2ccccc2)c2c(ncn12)C(F)(F)F
CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccccc3)c12
CP(C)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccccc3)c12
CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(cc3)S(C)(=O)=O)c12
CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(F)cc3)c12
Cc1cc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O)S(C)(=O)=O
Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
Cc1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(nc3)C3CC3)c12
CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(nc3)C(F)F)c12
CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(nc3)C(F)(F)F)c12
CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(nc3)S(C)(=O)=O)c12
Cc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O)C(F)(F)F
Cn1cc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(C3CCOCC3)c12
CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(C3CCS(=O)(=O)CC3)c12
CS(=O)(=O)N1CCC(CC1)c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
CCN1CCC(CC1)c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
CC(=O)N1CCC(CC1)c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(C3CCN(CC3)S(=O)(=O)C3CC3)c12
CN(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O |r|
CN(C)[C@H]1CN(Cc2ccccc2F)C[C@@H]1c1cn(C)c2ccccc12 |r|
CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)C1CCc2cccc(F)c12 |r|
COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)CCc2ccc(c(C)n2)-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)C(C)(C)C)cc1 |r|
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COc2ccc(OCCNC(=O)CCc3ccc(c(C)n3)-c3cnc(NCc4c5CCOc5ccc4F)n4cnnc34)cc2)C(C)(C)C)cc1 |r|
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)c2ccc(cc2)-c2cnc(NCc3ccco3)n3cnnc23)C(C)(C)C)cc1 |r|
Cc1ncccc1-c1cnc(NCc2c3CCOc3c(F)cc2F)n2cnnc12
Cc1ncccc1-c1cnc(NCc2c3CCOc3c(Cl)cc2F)n2cnnc12
Cc1ncccc1-c1cnc(NCc2c3CCOc3c(cc2F)C#N)n2cnnc12
Cc1ncccc1-c1cnc(NCc2c3CCOc3c(N)cc2F)n2cnnc12
COc1cc(F)c(CNc2ncc(-c3cccnc3C)c3nncn23)c2CCOc12
NC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccccc3)c12
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)Nc1ccccc21 |c:16,20,t:14|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1ccccc21 |c:16,20,t:14|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCCc1ccccc21 |c:16,20,t:14|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1ncccc21 |c:16,20,t:14|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1c(F)cccc21 |c:16,20,t:14|
Fc1ccc2C3=CN=C(NCc4c5CCOc5ccc4F)N4C=NC(C34)C(=O)NCc2c1 |c:24,t:5,7|
Fc1ccc2CNC(=O)C3N=CN4C3C(=CN=C4NCc3c4CCOc4ccc3F)c2c1 |c:10,15,17|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1cc(ccc21)C(F)(F)F |c:16,20,t:14|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1ccc(cc21)C(F)(F)F |c:16,20,t:14|
Cc1ccc2C3=CN=C(NCc4c5CCOc5ccc4F)N4C=NC(C34)C(=O)NCc2n1 |c:24,t:5,7|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1nc(ccc21)C(F)(F)F |c:16,20,t:14|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1cc(ncc21)C(F)(F)F |c:16,20,t:14|
Cn1ncc2c1CNC(=O)C1N=CN3C1C2=CN=C3NCc1c2CCOc2ccc1F |c:12,20,t:18|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1sccc21 |c:16,20,t:14|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1ccsc21 |c:16,20,t:14|
CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:29,t:10,12|
CCN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:30,t:11,13|
CC(C)N1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:31,t:12,14|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)N(Cc1cc(ncc21)C(F)(F)F)C1CC1 |c:16,20,t:14|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)N(Cc1cc(ncc21)C(F)(F)F)C1CCC1 |c:16,20,t:14|
FC(F)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:32,t:13,15|
CC(F)(F)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:33,t:14,16|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)N(CC(F)(F)F)Cc1cc(ncc21)C(F)(F)F |c:16,20,t:14|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)N(Cc1cc(ncc21)C(F)(F)F)C1CC(F)(F)C1 |c:16,20,t:14|
CC(C)(O)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:33,t:14,16|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)N(Cc1cc(ncc21)C(F)(F)F)C1CCOCC1 |c:16,20,t:14|
CC1CC(CC(C)O1)N1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:37,t:18,20|
OC1(CN2Cc3cc(ncc3C3=CN=C(NCc4c5CCOc5ccc4F)N4C=NC(C34)C2=O)C(F)(F)F)CC1 |c:31,t:12,14|
CC1(O)CC(CN2Cc3cc(ncc3C3=CN=C(NCc4c5CCOc5ccc4F)N4C=NC(C34)C2=O)C(F)(F)F)C1 |c:34,t:15,17,(22.35,-61.15,;23.84,-61.56,;22.74,-62.65,;24.41,-60.13,;25.83,-60.7,;27.25,-60.09,;27.42,-58.56,;26.06,-57.8,;25.64,-56.32,;24.08,-56.36,;23.27,-55.03,;24.02,-53.66,;25.58,-53.62,;26.39,-54.96,;27.88,-54.53,;27.74,-53.07,;29.03,-52.21,;30.42,-52.89,;31.7,-52.04,;33.08,-52.72,;34.36,-51.87,;35.74,-52.54,;36.15,-54.02,;37.68,-54.08,;38.22,-52.65,;37.02,-51.7,;36.92,-50.16,;35.53,-49.48,;34.25,-50.33,;32.87,-49.66,;30.52,-54.44,;31.73,-55.39,;31.2,-56.83,;29.66,-56.77,;29.24,-55.29,;28.91,-58.13,;29.87,-59.34,;21.73,-55.07,;21.72,-56.61,;20.39,-55.83,;20.93,-53.75,;25.27,-62.13,)|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)N(CC1CCOCC1)Cc1cc(ncc21)C(F)(F)F |c:16,20,t:14|
CN1CCC(CN2Cc3cc(ncc3C3=CN=C(NCc4c5CCOc5ccc4F)N4C=NC(C34)C2=O)C(F)(F)F)CC1 |c:34,t:15,17|
Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)N(CC1COCCO1)Cc1cc(ncc21)C(F)(F)F |c:16,20,t:14|
Fc1ccc2OCCc2c1CNc1ncc(Oc2ccccc2)c2nncn12
Fc1ccc2OCCc2c1CNc1ncc(Nc2ccccc2)c2nncn12
c1ccc(cc1)C(=O)Nc2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F
Fc1ccc2OCCc2c1CNc1ncc(C(=O)Nc2ccccc2)c2nncn12
CN(C(=O)c1ccccc1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
COc1ccccc1C(=O)Nc1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CN(C)Cc1ccc(cc1)C(=O)Nc1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(NC(=O)c2cccnc2)c2nncn12
Fc1ccc2OCCc2c1CNc1ncc(N2Cc3ccccc3C2=O)c2nncn12
Fc1ccc2OCCc2c1CNc1ncc(N2Cc3ccccc3CC2=O)c2nncn12
Fc1ccc2OCCc2c1CNc1ncc(N2Cc3ccccc3OC2=O)c2nncn12
Fc1ccc2OCCc2c1CNc1ncc(N2Cc3ccncc3C2=O)c2nncn12
CN(C)Cc1ccc2C(=O)N(Cc2c1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(N2Cc3cc(OCCN4CCCC4)ccc3C2=O)c2nncn12
COCCC(=O)Nc1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(N2CCCC2=O)c2nncn12
C[C@H]1CN(C(=O)C1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |r|
C[C@@H]1CN(C(=O)C1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |r|
CC1(C)CN(C(=O)C1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Fc1ccc2OCCc2c1CNc1ncc(N2CC3(CC3)CC2=O)c2nncn12
CN(c1ccccc1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CN(c1cccnc1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CN(c1ccncc1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CN(c1cn(C)cn1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CN(c1ncco1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CN(c1cnn(C)c1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cn1ccc(n1)N(C)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F
Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)c2n[nH]c(=O)n12
Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2c1n[nH]c2=O
Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)c2nn(CC#N)c(=O)n12
Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)c2ncc(=O)[nH]c12
Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)c2cn[nH]c(=O)c12
Fc1ccc2OCCc2c1CNc1ncc(N2CCCC2=O)c2c1cn[nH]c2=O
CN(c1ccn(C)n1)c1cnc(NCc2c3CCOc3ccc2F)c2cn[nH]c(=O)c12
CN(C)Cc1ccc2C(=O)N(Cc2c1)c1cnc(NCc2c3CCOc3ccc2F)c2cn[nH]c(=O)c12
CN(C)Cc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)c2cn[nH]c(=O)c12
CN(C)C(=O)c1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)c2cn[nH]c(=O)c12
Cc1nc(CO)ccc1-c1cnc(NCc2c3CCOc3ccc2F)c2cn[nH]c(=O)c12
Cn1nccc1-c1cnc(NCc2c3CCOc3ccc2F)c2cn[nH]c(=O)c12
Cc1ncc(-c2cnc(NCc3c4CCOc4ccc3F)c3cn[nH]c(=O)c23)n1C
Cc1nccn1-c1cnc(NCc2c3CCOc3ccc2F)c2cn[nH]c(=O)c12
Cc1nn(C)cc1-c1cnc(NCc2c3CCOc3ccc2F)c2cn[nH]c(=O)c12
Cn1cc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)c2cn[nH]c(=O)c12
Cc1cc(-c2cnc(NCc3c4CCOc4ccc3F)c3cn[nH]c(=O)c23)n(C)n1
CC(=O)N1CCC(CC1)c1cnc(NCc2c3CCOc3ccc2F)c2cn[nH]c(=O)c12
CN(C)C(=O)c1cc(-c2cnc(NCc3c4CCOc4ccc3F)c3cn[nH]c(=O)c23)n(C)n1
CNC(=O)c1cc(-c2cnc(NCc3c4CCOc4ccc3F)c3cn[nH]c(=O)c23)n(C)n1
CNC(=O)c1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)c2cn[nH]c(=O)c12
CNC(=O)c1ncc(-c2cnc(NCc3c4CCOc4ccc3F)c3cn[nH]c(=O)c23)n1C
COc1ccc(CCN2CCC(C2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
c1ccc(cc1)CN2CCc3c(c4nncn4c(c3C#N)NCc5ccco5)C2
c1cc(oc1)CNc2c(ccc3n2cnn3)C#N
CS(=O)(=O)N1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:7|
CCS(=O)(=O)N1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:8|
CN1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:4|
CC(=O)N1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:6|
Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)c2cncnc12
CN1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)c2cncnc12 |c:4|
Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)c2nncn12
CN1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)c2nncn12 |c:4|
Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)n2cc(nc12)C#N
Cc1cc(-c2cnc(NCC3Cc4cc(F)ccc4O3)n3cc(nc23)C#N)n(C)n1
[2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)n1C)c1c2CCOc2ccc1F
Cc1nc(NCc2c3CCOc3ccc2F)sc1-c1ccnn1C
Cc1nc(NCc2c3CCOc3ccc2F)sc1-c1cccnc1C
Cc1nc(NCc2cccc3OCOc23)sc1-c1ccn(C)n1
[H][C@]12COc3ccc(F)c(CNc4c(OC1)cc(-c1cccnc1C)c1nncn41)c23 |r|
CCOP(=O)(OCC)C(NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)\C=C\c1ccc(cc1)-c1ccccc1)P(=O)(OCC)OCC |r|
CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r|
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COc2ccc(OCCNC(=O)CCc3ccc(c(N)n3)-c3cnc(NCc4c5CCOc5ccc4F)n4cnnc34)cc2)C(C)(C)C)cc1 |r|
COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(C)=C |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CO)NC(=O)C1CCCN1)C(N)=O |r|
[H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCCN(C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
N#Cc1c2CCN(Cc3ccccc3)Cc2c2cccn2c1NCc1ccco1
Cc1cc(C)n(n1)-c1cc(ccc1[N+]([O-])=O)N1CCc2ccccc2C1
[H]/N=C\1/C(=C(C=C2N1CCc3c2cc4c(c3)OCO4)c5ccc(c(c5)OC)OC(C)C)C#N
[2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)n1C)c1cc(F)cc2OCCc12
CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|
[2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)[nH]1)c1c2CCOc2ccc1F
Cc1cc(C)n(n1)-c1cc(ccc1[N+]([O-])=O)N1CCCc2ccccc12
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NC([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,t:131|
CS(=O)(=O)c1cnc(NCc2ccco2)n2cnnc12
C(Nc1ncc(-c2ccc3[nH]ccc3c2)c2nccn12)c1ccco1
C(Nc1ncc(-c2ccc3[nH]ccc3c2)c2nncn12)c1ccco1
Cn1ccc2cc(ccc12)-c1cnc(NCc2ccco2)n2cnnc12
CCn1ccc2cc(ccc12)-c1cnc(NCc2ccco2)n2cnnc12
CC(C)n1ccc2cc(ccc12)-c1cnc(NCc2ccco2)n2cnnc12
C(Nc1ncc(-c2ccc3n(ccc3c2)C2CC2)c2nncn12)c1ccco1
Cc1ccc(cc1)S(=O)(=O)n1ccc2cc(ccc12)-c1cnc(NCc2ccco2)n2cnnc12
C(Nc1ncc(-c2ccc3n(Cc4ccccc4)ccc3c2)c2nncn12)c1ccco1
Cc1cccc(Cn2ccc3cc(ccc23)-c2cnc(NCc3ccco3)n3cnnc23)c1
FC(F)(F)c1cccc(Cn2ccc3cc(ccc23)-c2cnc(NCc3ccco3)n3cnnc23)c1
Fc1ccc(Cn2ccc3cc(ccc23)-c2cnc(NCc3ccco3)n3cnnc23)cc1F
Fc1cccc(Cn2ccc3cc(ccc23)-c2cnc(NCc3ccco3)n3cnnc23)c1
C(Nc1ncc(-c2ccc3n(ccc3c2)-c2ccccc2)c2nncn12)c1ccco1
C(Nc1ncc(-c2ccc3n(ccc3c2)C2CCCCC2)c2nncn12)c1ccco1
Cc1c[nH]c2ccc(cc12)-c1cnc(NCc2ccco2)n2cnnc12
N#Cc1c[nH]c2ccc(cc12)-c1cnc(NCc2ccco2)n2cnnc12
C(Nc1ncc(-c2c[nH]c3ccccc23)c2nncn12)c1ccco1
Cn1cc(-c2cnc(NCc3ccco3)n3cnnc23)c2ccccc12
Cc1c(-c2cnc(NCc3ccco3)n3cnnc23)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1 |(-.73,3.19,;.73,3.65,;1.97,2.81,;1.97,1.26,;.66,.49,;.66,-1.05,;1.97,-1.83,;1.97,-3.29,;.66,-4.07,;.66,-5.61,;1.89,-6.54,;1.43,-8,;-.12,-8,;-.58,-6.54,;3.28,-1.05,;4.75,-1.52,;5.67,-.28,;4.75,.95,;3.28,.49,;3.2,3.65,;4.67,3.35,;5.75,4.5,;5.21,5.97,;3.74,6.28,;2.74,5.12,;1.2,5.12,;.42,6.46,;1.76,7.23,;.42,8,;-1.12,6.46,;-1.89,5.12,;-3.43,5.12,;-4.21,6.46,;-5.75,6.46,;-3.44,7.79,;-1.9,7.8,)|
Cc1ccc(cc1)S(=O)(=O)n1cc(-c2cnc(NCc3ccco3)n3cnnc23)c2cc(F)ccc12
COc1ccc2n(cc(-c3cnc(NCc4ccco4)n4cnnc34)c2c1)S(=O)(=O)c1ccc(C)cc1
Cc1ccc(cc1)S(=O)(=O)n1cc(-c2cnc(NCc3ccco3)n3cnnc23)c2cc(C)ccc12
CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1cnc(NCc2ccco2)n2cnnc12
C(Nc1ncc(-c2cc3ccccc3[nH]2)c2nncn12)c1ccco1
C(Nc1ncc(-c2cccc3[nH]ccc23)c2nncn12)c1ccco1
C(Nc1ncc(-c2ccc3cc[nH]c3c2)c2nncn12)c1ccco1
C(Nc1ncc(-c2cccc3cc[nH]c23)c2nncn12)c1ccco1
CC(C)n1ccc2cccc(-c3cnc(NCc4ccco4)n4cnnc34)c12
c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F
CC(C)(Cc1ccccc1)C1=Cc2ccccc2C2=NCCN12 |t:11,20|
Clc1ccc(cc1)C1(CC1)C1=Cc2ccccc2C2=NCCN12 |t:12,21|
O=C(CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCN1CCN(c2ccc(-c3cnc(NCc4ccco4)n4cnnc34)cc2)CC1
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CCCCN2CCN(c3ccc(-c4cnc(NCc5ccco5)n5cnnc45)cc3)CC2)C(C)(C)C)cc1
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)[C@]2(C)O |r|
COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(F)c1 |r|
CNC(=O)C1CCN(CC1)c1ccc(cc1)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1N(C)C |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CC[C@@H](C1)NC(C)=O |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCC(CC1)NC(C)=O |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)c1ccccc1 |r|
CC1CCN(CC1)c1ccc(cc1)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1N(C)C |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)c1ccncc1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCC(CC1)N1CCCC1=O |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCC(CC1)C#N |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)c1ccc(C)cc1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(=O)N1CCCC1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCn2ccnc2C1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CC2CCCCN2C(=O)C1 |r|
CCN1CCN(CC1=O)c1ccc(cc1)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1N(C)C |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)N(C)C)c(C)c1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)N2CCN(CCO)CC2)c(C)c1 |r|
CCN1CCN(CC1)C(=O)c1ccc(cc1C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1N(C)C |r|
CCN(CC)C(=O)c1ccc(cc1C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1N(C)C |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)N2CCN(C)CC2)c(C)c1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)N2CCCN(C)CC2)c(C)c1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)N2CCN(CC2)C(=O)C2CC2)c(C)c1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)NCCC2CCCN2C)c(C)c1 |r|
CN(C)CCNC(=O)c1ccc(cc1C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1N(C)C |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)Nc2ccncc2)c(C)c1 |r|
COCCN(C)C(=O)c1ccc(cc1C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1N(C)C |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)Nc2cccnc2)c(C)c1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)NCc2cccnc2)c(C)c1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)NCc2ccncc2)c(C)c1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCn2cnnc2C1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)N(C)C |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCC2(CNC(=O)O2)CC1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCC(CC1)N1CCOCC1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)c1nccs1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)c1ncccn1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCC(CC1)C(=O)N(C)C |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cl)cc1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)NCc2ccccn2)c(C)c1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)NCCN2CCN(C)CC2)c(C)c1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCC(CC1)N(C)C |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)N2CCCC2)c(C)c1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)N2CCN(CC2)C(C)=O)c(C)c1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(C(=O)N(C)CC2CCCO2)c(C)c1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCCN(CC1)C(C)=O |r|
COC(=O)N1CCN(CC1)c1ccc(cc1)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1N(C)C |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CC[C@H](C1)NC(C)=O |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N(C)C1CCN(C)CC1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)c1ccccc1S(C)(=O)=O |r|
CN(C)[C@H]1CN(Cc2c(F)cccc2Cl)C[C@@H]1c1cn(C)c2ccccc12 |r|
CN(C)[C@H]1CN(Cc2c(C)nc3ncccn23)C[C@@H]1c1cn(C)c2ccccc12 |r|
CN(C)[C@H]1CN(Cc2nccn2C)C[C@@H]1c1cn(C)c2ccccc12 |r|
CN(C)[C@H]1CC(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2c(cccc12)C(=O)N1CC(F)C1 |r|
CN(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cn(C)c2ccccc12 |r|
CCn1cc(CN2C[C@@H]([C@H](C2)c2cn(C)c3ccccc23)N(C)C)c(C)n1 |r|
CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1C1CCCCC1 |r|
CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1C1CCOCC1 |r|
CN(C)[C@H]1CN(Cc2cc(C)ccc2F)C[C@@H]1c1cn(C)c2ccccc12 |r|
CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2ccc(F)cc12 |r|
CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCCc2ccccc12 |r|
CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2ncccc12 |r|
CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1cn(C)c2c(cccc12)C(=O)N(C)C |r|
CN(C)[C@H]1CN(C[C@@H]1C1CCN(CC1)c1ccc(cn1)C(N)=O)C1CCc2cccc(F)c12 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2c(cccc12)N1CCN(C)C(=O)C1 |r|
CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1COc2cccc(F)c12 |r|
CN(C)[C@H]1CN(Cc2ccn3ccnc3c2)C[C@@H]1c1cn(C)c2ccccc12 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)-c1cnn(CC(N)=O)c1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)c1ccccn1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccccc1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)C(=O)N(C)C |r|
CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@@H]1CCc2cccc(F)c12 |r|
CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2ccccc12 |r|
CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1C1CC1 |r|
C[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1N(C)C |r|
CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1ccncc1 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1C1CCN(CC1)c1cnc(cn1)C(N)=O |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(CC(=O)N(C)C)c2ncccc12 |r|
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(nc1)C1=CCN(CC1)C(=O)CS(C)(=O)=O |r,t:26|
C(Nc1ncc(-c2ccccc2)c2nccn12)c1ccco1
C(Nc1ncc(-c2ccc(CN3CCCC3)cc2)c2nncn12)c1ccco1
N#Cc1cc(-c2ccccc2)c2nncn2c1NCc1ccco1
CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccco2)n2cnnc12
C(Nc1ncc(-c2ccccc2)c2nncn12)c1ccco1
CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccc(C)s2)n2cnnc12
Fc1ccccc1-c1cc(C#N)c(NCc2ccco2)n2cnnc12
Clc1c(C#N)c2CCN(Cc3ccccc3)Cc2c2nncn12
CN(C)Cc1ccc(cc1)-c1cnc(NCc2cccs2)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccoc2)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccoc2)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2cnco2)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cnc(NCc2cnco2)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccon2)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccon2)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccno2)n2cnnc12
C(Nc1ccc(-c2ccccc2)c2cncn12)c1ccco1
CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccc(F)s2)n2cnnc12
COc1ccccc1CNc1ncc(-c2ccc(CN(C)C)cc2)c2nncn12
CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2sccc2Cl)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cnc(NCc2sccc2Cl)n2cnnc12
CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccc(C)s2)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2cccs2)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccccc2)n2cnnc12
C(Nc1ncc(-c2ccccc2)n2cncc12)c1ccco1
CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccno2)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cnc(NCc2sccc2C)n2cnnc12
COc1ccccc1CNc1c(cc(-c2ccc(CN(C)C)cc2)c2nncn12)C#N
C(Nc1cnc(-c2ccccc2)c2nncn12)c1ccco1
CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccc(F)s2)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2sccc2C)n2cnnc12
CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccccc2)n2cnnc12