13470 SMILES Strings for Tyrosine-protein kinase JAK1

Compound Name
SMILES String
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
C[C@@H]1CCC(CC1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
CC(C)(O)C(=O)N1CCN(CC1)c1ccc(c(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)C(F)(F)F |t:20|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccc(Cl)cn1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2cc(cnc2[nH]1)C(=O)c1ccc(Oc2ccccc2F)cc1OCC(C)NN
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2cc(Cc3ccc(nc3)N3CC=CC=C3)cnc2[nH]1 |c:37,39|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2cc(Cc3ccc4C=CCNc4n3)cnc2[nH]1 |c:32|
Oc1cc(CC(F)(F)F)c(cc1F)-c1ccc2c(n[nH]c2c1)-c1nc2cc(cnc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1
C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(NS(C)(=O)=O)cc23)C(N)=O)C1(C)C |r|
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@@H]2CCCC[C@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r|
CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r|
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3cccc(CN4CCOCC4)c3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(nc3)N3CCOCC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)N3CCOCC3)n2n1)C1CC1
CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
O=C(Nc1nc2cccc(-c3ccc(CN4CCCCC4)cc3)n2n1)C1CC1
NC(=O)C1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
CC(=O)N1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCS(=O)(=O)CC3)n2n1)C1CC1
FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
CN(C)CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
O=C(CN1CCCC1)Nc1cccc(c1)-c1cnc2ccccc2n1
Clc1ccc(cc1)N1CCN(CC(=O)Nc2cccc(c2)-c2cnc3ccccc3n2)CC1
ClCCCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
CCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
O=C(Cn1cncn1)Nc1cccc(c1)-c1cnc2ccccc2n1
O=C(CC#N)Nc1cccc(c1)-c1cnc2ccccc2n1
O=C(CN1CCCCC1)Nc1cccc(c1)-c1cnc2ccccc2n1
COc1ccc(NC(=O)Nc2cccc(c2)-c2cnc3ccccc3n2)cc1
CNC(=S)Nc1cccc(c1)-c1cnc2ccccc2n1
O=C(Nc1cccc(c1)-c1cnc2ccccc2n1)c1ccco1
O=S(=O)(Nc1cccc(c1)-c1cnc2ccccc2n1)c1cccs1
O=C(Nc1cccc(c1)-c1cnc2ccccc2n1)C1CC1
CS(=O)(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
O=C(CN1CCN(CC1)c1ccccc1)Nc1cccc(c1)-c1cnc2ccccc2n1
CN1CCN(CC(=O)Nc2cccc(c2)-c2cnc3ccccc3n2)CC1
ClC(Cl)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
ClCCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
O=C(CN1CCOCC1)Nc1cccc(c1)-c1cnc2ccccc2n1
CC(Cl)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
C=CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
C=CCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
BrCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
CSCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
FC(F)(F)C(=O)CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
CS(=O)(=O)OCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
CC(=O)OCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
OCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
CC(=O)SCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
CC(Nc1cccc(c1)-c1cnc2ccccc2n1)=C1CCOC1=O |w:1.0|
CCOC(=O)CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
O=C(CN1CCN(CC1)c1ccncc1)Nc1cccc(c1)-c1cnc2ccccc2n1
OC1CCN(CC(=O)Nc2cccc(c2)-c2cnc3ccccc3n2)CC1
O=C(CN1CCNCC1)Nc1cccc(c1)-c1cnc2ccccc2n1
NS(=O)(=O)CCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
CN(C1CC[C@H](CS(=O)(=O)N2CC[C@@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:13.13,wD:5.5,(-6.62,.53,;-5.29,-.24,;-3.96,.53,;-3.96,2.07,;-2.62,2.84,;-1.29,2.07,;.05,2.84,;1.38,2.07,;.61,.74,;2.15,.74,;2.71,2.84,;2.71,4.38,;4.18,4.86,;5.08,3.61,;6.62,3.61,;4.18,2.37,;-1.29,.53,;-2.62,-.24,;-5.29,-1.78,;-6.62,-2.55,;-6.62,-4.09,;-5.29,-4.86,;-3.96,-4.09,;-2.49,-4.56,;-1.59,-3.32,;-2.49,-2.07,;-3.96,-2.55,)|
CN(C1CC[C@H](CS(=O)(=O)N2CCC(CO)CC2)CC1)c1ncnc2[nH]ccc12 |r,wD:5.5,(-7.34,.38,;-6,-.39,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-.67,2.69,;.67,1.93,;-.1,.59,;1.44,.59,;2,2.69,;3.33,1.93,;4.67,2.69,;4.67,4.23,;6,5,;7.34,4.23,;3.33,5.01,;2,4.23,;-2,.38,;-3.33,-.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)|
CCOC1CCCN(C1)S(=O)(=O)CC1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |(7.34,-.38,;6,.39,;6,1.93,;4.67,2.7,;4.67,4.24,;3.33,5.01,;2,4.24,;2,2.7,;3.33,1.93,;.67,1.93,;-.1,.59,;1.44,.59,;-.67,2.7,;-2,1.92,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-6,-.39,;-7.34,.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)|
CCC1(CCCN(C1)S(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]ccc12)NC(=O)OCc1ccccc1 |r,wD:12.12,(6.19,5.28,;5.79,3.79,;4.3,3.39,;4.3,4.93,;2.97,5.7,;1.63,4.93,;1.63,3.39,;2.97,2.62,;.3,2.62,;-.47,1.29,;1.07,1.29,;-1.03,3.39,;-2.37,2.62,;-3.7,3.39,;-5.03,2.62,;-5.03,1.08,;-3.7,.31,;-2.37,1.08,;-6.37,.31,;-7.7,1.08,;-6.37,-1.23,;-7.7,-2,;-7.7,-3.54,;-6.37,-4.31,;-5.03,-3.54,;-3.57,-4.02,;-2.66,-2.77,;-3.57,-1.52,;-5.03,-2,;5.39,2.3,;4.62,.97,;3.08,.97,;5.39,-.37,;4.62,-1.7,;5.39,-3.03,;4.62,-4.37,;5.39,-5.7,;6.93,-5.7,;7.7,-4.37,;6.93,-3.03,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)C(C)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.34,.38,;-6,-.39,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-.67,2.7,;.67,1.93,;-.1,.59,;1.44,.59,;2,2.7,;2,4.24,;3.33,5.01,;4.67,4.24,;4.67,2.7,;3.33,1.93,;6,1.93,;6,.39,;7.34,2.7,;-2,.38,;-3.33,-.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)C(F)(F)F)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.34,.38,;-6,-.39,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-.67,2.7,;.67,1.93,;-.1,.59,;1.44,.59,;2,2.7,;2,4.24,;3.33,5.01,;4.67,4.24,;4.67,2.7,;3.33,1.93,;6,1.93,;7.34,2.7,;6,.39,;7.34,1.16,;-2,.38,;-3.33,-.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)OCC(N)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8,.38,;-6.67,-.39,;-5.33,.38,;-5.33,1.92,;-4,2.69,;-2.67,1.92,;-1.33,2.7,;,1.93,;-.77,.59,;.77,.59,;1.33,2.7,;1.33,4.24,;2.67,5.01,;4,4.24,;4,2.7,;2.67,1.93,;5.33,1.93,;5.33,.39,;6.67,-.38,;6.67,-1.92,;8,.39,;-2.67,.38,;-4,-.38,;-6.67,-1.93,;-8,-2.7,;-8,-4.24,;-6.67,-5.01,;-5.33,-4.24,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(CN3CCCC3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.29,.38,;-5.96,-.39,;-4.62,.38,;-4.62,1.92,;-3.29,2.69,;-1.96,1.92,;-.62,2.7,;.71,1.93,;-.06,.59,;1.48,.59,;2.04,2.7,;2.04,4.24,;3.38,5.01,;4.71,4.24,;4.71,2.7,;6.05,1.93,;6.05,.39,;4.8,-.52,;5.28,-1.98,;6.82,-1.98,;7.29,-.52,;3.38,1.93,;-1.96,.38,;-3.29,-.38,;-5.96,-1.93,;-7.29,-2.7,;-7.29,-4.24,;-5.96,-5.01,;-4.62,-4.24,;-3.16,-4.71,;-2.25,-3.47,;-3.16,-2.22,;-4.62,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(O)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(-6.31,.03,;-4.98,-.74,;-3.64,.03,;-2.31,-.74,;-.97,.03,;-.97,1.57,;.36,2.34,;.36,3.88,;-1.13,4.27,;.76,5.36,;1.85,3.48,;2.25,1.99,;3.73,1.59,;4.82,2.68,;6.31,2.28,;4.42,4.17,;2.94,4.57,;-2.31,2.34,;-3.64,1.57,;-4.98,-2.28,;-6.31,-3.05,;-6.31,-4.59,;-4.98,-5.36,;-3.64,-4.59,;-2.18,-5.07,;-1.27,-3.82,;-2.18,-2.58,;-3.64,-3.05,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(F)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.7,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;2.67,4.24,;4,5.01,;5.33,4.24,;5.33,2.7,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(N)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;4,1.93,;5.33,2.7,;5.33,4.24,;6.67,5.01,;4,5,;2.67,4.24,;-1.33,.38,;-2.67,-.39,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](O)[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,13.13,wD:5.5,15.15,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;2.67,4.24,;4,5,;5.33,4.24,;6.67,5.01,;5.33,2.7,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.39,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,13.13,15.15,wD:5.5,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;2.67,4.24,;4,5,;5.33,4.24,;6.67,5.01,;5.33,2.7,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.39,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,14.14,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.7,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;2.67,4.24,;4,5.01,;5.33,4.24,;5.33,2.7,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(COc3ccc(F)cc3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-10,.38,;-8.67,-.39,;-7.34,.38,;-7.34,1.92,;-6,2.69,;-4.67,1.92,;-3.33,2.7,;-2,1.93,;-2.77,.59,;-1.23,.59,;-.67,2.7,;-.67,4.24,;.67,5.01,;2,4.24,;2,2.7,;3.33,1.93,;4.67,2.7,;6,1.93,;6,.39,;7.34,-.38,;8.67,.39,;10,-.38,;8.67,1.93,;7.34,2.7,;.67,1.93,;-4.67,.38,;-6,-.38,;-8.67,-1.93,;-10,-2.7,;-10,-4.24,;-8.67,-5.01,;-7.34,-4.24,;-5.87,-4.71,;-4.97,-3.47,;-5.87,-2.22,;-7.34,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)C(O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.34,.38,;-6,-.39,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-.67,2.7,;.67,1.93,;-.1,.59,;1.44,.59,;2,2.7,;2,4.24,;3.33,5.01,;4.67,4.24,;4.67,2.7,;3.33,1.93,;6,1.93,;6,.39,;7.34,2.7,;-2,.38,;-3.33,-.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)|
CCCS(=O)(=O)CC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:20.24,wD:17.17,(8.63,-1.48,;7.14,-1.08,;6.75,.41,;5.26,.81,;3.72,.81,;5.26,-.73,;4.86,2.3,;3.37,2.7,;3.37,4.24,;2.04,5.01,;.7,4.24,;.7,2.7,;2.04,1.93,;-.63,1.93,;-1.4,.59,;.14,.59,;-1.96,2.7,;-3.3,1.92,;-4.63,2.69,;-5.96,1.92,;-5.96,.38,;-4.63,-.38,;-3.3,.38,;-7.3,-.39,;-8.63,.38,;-7.3,-1.93,;-8.63,-2.7,;-8.63,-4.24,;-7.3,-5.01,;-5.96,-4.24,;-4.5,-4.71,;-3.59,-3.47,;-4.5,-2.22,;-5.96,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)c2nnc(C)o2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8.62,.38,;-7.29,-.39,;-5.96,.38,;-5.96,1.92,;-4.62,2.69,;-3.29,1.92,;-1.95,2.7,;-.62,1.93,;-1.39,.59,;.15,.59,;.71,2.7,;.71,4.24,;2.05,5.01,;3.38,4.24,;3.38,2.7,;2.05,1.93,;4.71,1.93,;4.71,.39,;6.18,-.09,;7.08,1.16,;8.62,1.16,;6.18,2.4,;-3.29,.38,;-4.62,-.38,;-7.29,-1.93,;-8.62,-2.7,;-8.62,-4.24,;-7.29,-5.01,;-5.96,-4.24,;-4.49,-4.71,;-3.59,-3.47,;-4.49,-2.22,;-5.96,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(O)(COc3cccc(F)c3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-9.65,.38,;-8.31,-.39,;-6.98,.38,;-6.98,1.92,;-5.64,2.69,;-4.31,1.92,;-2.98,2.7,;-1.64,1.93,;-2.41,.59,;-.87,.59,;-.31,2.7,;-.31,4.24,;1.02,5.01,;2.36,4.24,;2.36,2.7,;2.36,1.16,;3.69,1.93,;5.03,2.7,;6.57,2.7,;7.34,4.03,;8.88,4.03,;9.65,2.7,;8.88,1.36,;9.65,.03,;7.34,1.36,;1.02,1.93,;-4.31,.38,;-5.64,-.38,;-8.31,-1.93,;-9.65,-2.7,;-9.65,-4.24,;-8.31,-5.01,;-6.98,-4.24,;-5.51,-4.71,;-4.61,-3.47,;-5.51,-2.22,;-6.98,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(CNC(C)=O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8,.38,;-6.67,-.39,;-5.33,.38,;-5.33,1.92,;-4,2.69,;-2.67,1.92,;-1.33,2.7,;,1.93,;-.77,.59,;.77,.59,;1.33,2.7,;1.33,4.24,;2.67,5.01,;4,4.24,;4,2.7,;5.33,1.93,;5.33,.39,;6.67,-.38,;8,.39,;6.67,-1.92,;2.67,1.93,;-2.67,.38,;-4,-.38,;-6.67,-1.93,;-8,-2.7,;-8,-4.24,;-6.67,-5.01,;-5.33,-4.24,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(Cc3ccccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8.67,.38,;-7.34,-.39,;-6,.38,;-6,1.92,;-4.67,2.69,;-3.33,1.92,;-2,2.69,;-.67,1.93,;-1.44,.59,;.1,.59,;.67,2.7,;.67,4.24,;2,5,;3.33,4.24,;3.33,2.7,;4.67,1.93,;6,2.7,;6,4.24,;7.34,5.01,;8.67,4.24,;8.67,2.7,;7.34,1.93,;2,1.93,;-3.33,.38,;-4.67,-.39,;-7.34,-1.93,;-8.67,-2.7,;-8.67,-4.24,;-7.34,-5.01,;-6,-4.24,;-4.54,-4.71,;-3.63,-3.47,;-4.54,-2.22,;-6,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](O)[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,15.15,13.13,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;2.67,4.24,;4,5,;5.33,4.24,;6.67,5.01,;5.33,2.7,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.39,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(C)(O)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.77,.1,;-5.44,-.67,;-4.1,.1,;-4.1,1.64,;-2.77,2.41,;-1.44,1.64,;-.1,2.41,;1.23,1.64,;.46,.31,;2,.31,;2.56,2.41,;3.9,1.64,;5.23,2.41,;5.23,3.95,;6,5.29,;6.77,3.95,;3.9,4.72,;2.56,3.95,;-1.44,.1,;-2.77,-.67,;-5.44,-2.21,;-6.77,-2.98,;-6.77,-4.52,;-5.44,-5.29,;-4.1,-4.52,;-2.64,-4.99,;-1.73,-3.75,;-2.64,-2.5,;-4.1,-2.98,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(O)(CC2)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8.23,.03,;-6.9,-.74,;-5.57,.03,;-5.57,1.57,;-4.23,2.34,;-2.9,1.57,;-1.56,2.34,;-.23,1.57,;-1,.23,;.54,.23,;1.1,2.34,;2.44,1.57,;3.77,2.34,;3.77,3.88,;4.17,5.36,;2.44,4.65,;1.1,3.88,;5.26,3.48,;5.66,1.99,;7.14,1.59,;8.23,2.68,;7.83,4.17,;6.35,4.57,;-2.9,.03,;-4.23,-.74,;-6.9,-2.28,;-8.23,-3.05,;-8.23,-4.59,;-6.9,-5.36,;-5.57,-4.59,;-4.1,-5.07,;-3.2,-3.82,;-4.1,-2.58,;-5.57,-3.05,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,13.13,(-6.66,.81,;-5.32,.04,;-3.99,.81,;-3.99,2.35,;-2.66,3.12,;-1.32,2.35,;.01,3.12,;1.34,2.35,;.57,1.01,;2.11,1.01,;2.68,3.12,;3.15,4.58,;4.69,4.58,;5.17,3.12,;6.66,2.72,;3.92,2.21,;-1.32,.81,;-2.66,.04,;-5.32,-1.5,;-6.66,-2.27,;-6.66,-3.81,;-5.32,-4.58,;-3.99,-3.81,;-2.53,-4.29,;-1.62,-3.04,;-2.53,-1.8,;-3.99,-2.27,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)NC(=O)OC(C)(C)C)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,13.15,(-9.1,.53,;-7.76,-.24,;-6.43,.53,;-6.43,2.07,;-5.1,2.84,;-3.76,2.07,;-2.43,2.84,;-1.09,2.07,;-1.86,.74,;-.32,.74,;.24,2.84,;.24,4.38,;1.7,4.86,;2.61,3.61,;1.7,2.37,;4.1,4.01,;5.19,2.92,;4.79,1.43,;6.67,3.32,;7.76,2.23,;7.76,.69,;9.1,3,;9.1,1.46,;-3.76,.53,;-5.1,-.24,;-7.76,-1.78,;-9.1,-2.55,;-9.1,-4.09,;-7.76,-4.86,;-6.43,-4.09,;-4.96,-4.56,;-4.06,-3.32,;-4.96,-2.07,;-6.43,-2.55,)|
CCN[C@@H](C)[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:5.4,3.3,wD:14.14,(7.85,1.3,;7.85,2.84,;6.52,3.61,;5.19,2.84,;5.19,1.3,;3.85,3.61,;2.95,4.86,;1.48,4.38,;1.48,2.84,;2.95,2.37,;.15,2.07,;-.62,.74,;.92,.74,;-1.18,2.84,;-2.52,2.07,;-3.85,2.84,;-5.19,2.07,;-5.19,.53,;-3.85,-.24,;-2.52,.53,;-6.52,-.24,;-7.85,.53,;-6.52,-1.78,;-7.85,-2.55,;-7.85,-4.09,;-6.52,-4.86,;-5.19,-4.09,;-3.72,-4.56,;-2.82,-3.32,;-3.72,-2.07,;-5.19,-2.55,)|
CCOCCO[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:6.5,wD:15.15,(8.08,-2.2,;8.08,-.66,;6.6,-.27,;6.6,1.27,;5.11,1.67,;5.11,3.21,;3.62,3.61,;2.72,4.86,;1.25,4.38,;1.25,2.84,;2.72,2.37,;-.08,2.07,;-.85,.74,;.69,.74,;-1.42,2.84,;-2.75,2.07,;-4.08,2.84,;-5.42,2.07,;-5.42,.53,;-4.08,-.24,;-2.75,.53,;-6.75,-.24,;-8.08,.53,;-6.75,-1.78,;-8.08,-2.55,;-8.08,-4.09,;-6.75,-4.86,;-5.42,-4.09,;-3.95,-4.56,;-3.05,-3.32,;-3.95,-2.07,;-5.42,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@@H](O)[C@@H](C2)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,12.12,(-6.94,-1.47,;-5.61,-2.24,;-4.27,-1.47,;-4.27,.07,;-2.94,.84,;-1.61,.07,;-.27,.84,;1.06,.07,;.29,-1.26,;1.83,-1.26,;2.4,.84,;3.86,.37,;4.77,1.61,;6.25,1.21,;3.86,2.86,;2.4,2.38,;4.63,4.19,;6.17,4.19,;6.94,5.52,;6.17,6.86,;4.63,6.86,;3.86,5.52,;-1.61,-1.47,;-2.94,-2.24,;-5.61,-3.78,;-6.94,-4.55,;-6.94,-6.09,;-5.61,-6.86,;-4.27,-6.09,;-2.81,-6.56,;-1.9,-5.32,;-2.81,-4.07,;-4.27,-4.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(-7.01,.49,;-5.67,-.28,;-4.34,.49,;-3.01,-.28,;-1.67,.49,;-1.67,2.03,;-.34,2.8,;.99,2.03,;.22,.69,;1.76,.69,;2.33,2.8,;2.33,4.34,;3.79,4.81,;4.7,3.57,;6.24,3.57,;7.01,4.9,;3.79,2.32,;-3.01,2.8,;-4.34,2.03,;-5.67,-1.82,;-7.01,-2.59,;-7.01,-4.13,;-5.67,-4.9,;-4.34,-4.13,;-2.88,-4.61,;-1.97,-3.36,;-2.88,-2.12,;-4.34,-2.59,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,13.13,(-7.01,.49,;-5.67,-.28,;-4.34,.49,;-3.01,-.28,;-1.67,.49,;-1.67,2.03,;-.34,2.8,;.99,2.03,;.22,.69,;1.76,.69,;2.33,2.8,;2.33,4.34,;3.79,4.81,;4.7,3.57,;6.24,3.57,;7.01,4.9,;3.79,2.32,;-3.01,2.8,;-4.34,2.03,;-5.67,-1.82,;-7.01,-2.59,;-7.01,-4.13,;-5.67,-4.9,;-4.34,-4.13,;-2.88,-4.61,;-1.97,-3.36,;-2.88,-2.12,;-4.34,-2.59,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](CC#N)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,13.13,(-7.39,.53,;-6.06,-.24,;-4.73,.53,;-3.39,-.24,;-2.06,.53,;-2.06,2.07,;-.72,2.84,;.61,2.07,;-.16,.74,;1.38,.74,;1.94,2.84,;1.94,4.38,;3.41,4.86,;4.31,3.61,;5.85,3.61,;6.62,2.28,;7.39,.94,;3.41,2.37,;-3.39,2.84,;-4.73,2.07,;-6.06,-1.78,;-7.39,-2.55,;-7.39,-4.09,;-6.06,-4.86,;-4.73,-4.09,;-3.26,-4.56,;-2.36,-3.32,;-3.26,-2.07,;-4.73,-2.55,)|
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CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](F)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,13.13,wD:5.5,(-6.62,.53,;-5.29,-.24,;-3.96,.53,;-3.96,2.07,;-2.62,2.84,;-1.29,2.07,;.05,2.84,;1.38,2.07,;.61,.74,;2.15,.74,;2.71,2.84,;2.71,4.38,;4.18,4.86,;5.08,3.61,;6.62,3.61,;4.18,2.37,;-1.29,.53,;-2.62,-.24,;-5.29,-1.78,;-6.62,-2.55,;-6.62,-4.09,;-5.29,-4.86,;-3.96,-4.09,;-2.49,-4.56,;-1.59,-3.32,;-2.49,-2.07,;-3.96,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](CC#N)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(-7.39,.53,;-6.06,-.24,;-4.73,.53,;-3.39,-.24,;-2.06,.53,;-2.06,2.07,;-.72,2.84,;.61,2.07,;-.16,.74,;1.38,.74,;1.94,2.84,;1.94,4.38,;3.41,4.86,;4.31,3.61,;5.85,3.61,;6.62,2.28,;7.39,.94,;3.41,2.37,;-3.39,2.84,;-4.73,2.07,;-6.06,-1.78,;-7.39,-2.55,;-7.39,-4.09,;-6.06,-4.86,;-4.73,-4.09,;-3.26,-4.56,;-2.36,-3.32,;-3.26,-2.07,;-4.73,-2.55,)|
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CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(=O)(=O)Cc2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.83,.53,;6.5,-.24,;5.17,.53,;5.17,2.07,;3.83,2.84,;2.5,2.07,;1.17,2.84,;-.17,2.07,;-.17,.53,;1.17,1.3,;-1.5,2.84,;-1.49,4.38,;-2.95,4.86,;-3.86,3.61,;-2.95,2.37,;-5.34,3.21,;-6.43,4.3,;-6.83,2.81,;-5.74,1.73,;-7.23,1.33,;-8.32,2.42,;-9.81,2.02,;-10.2,.53,;-9.11,-.56,;-7.63,-.16,;2.5,.53,;3.83,-.24,;6.5,-1.78,;5.17,-2.55,;5.17,-4.09,;6.5,-4.86,;7.83,-4.09,;9.3,-4.56,;10.2,-3.32,;9.3,-2.07,;7.83,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(=O)(=O)CCc2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(8.52,-.82,;7.19,-1.59,;5.86,-.82,;5.86,.72,;4.52,1.49,;3.19,.72,;1.86,1.49,;.52,.72,;.52,-.82,;1.86,-.05,;-.81,1.49,;-.79,3.03,;-2.26,3.5,;-3.16,2.26,;-2.26,1.01,;-4.65,1.86,;-5.05,.37,;-6.14,1.46,;-5.74,2.95,;-7.23,2.55,;-8.32,3.64,;-7.92,5.12,;-9.01,6.21,;-10.5,5.82,;-10.89,4.33,;-9.81,3.24,;3.19,-.82,;4.52,-1.59,;7.19,-3.13,;5.86,-3.9,;5.86,-5.44,;7.19,-6.21,;8.52,-5.44,;9.99,-5.92,;10.89,-4.67,;9.99,-3.43,;8.52,-3.9,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(COc3cccc(F)c3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(6.84,-2.71,;5.5,-3.48,;4.17,-2.71,;4.17,-1.17,;2.84,-.4,;1.5,-1.17,;.17,-.4,;-1.16,-1.17,;-1.16,-2.71,;.17,-1.94,;-2.5,-.4,;-2.48,1.14,;-3.95,1.62,;-4.85,.37,;-5.62,-.96,;-5.94,1.46,;-5.54,2.95,;-6.63,4.04,;-8.12,3.64,;-9.21,4.73,;-8.81,6.21,;-7.32,6.61,;-6.92,8.1,;-6.23,5.52,;-3.95,-.88,;1.5,-2.71,;2.84,-3.48,;5.5,-5.02,;4.17,-5.79,;4.17,-7.33,;5.5,-8.1,;6.84,-7.33,;8.3,-7.81,;9.21,-6.56,;8.3,-5.31,;6.84,-5.79,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(CCc3cc(C)no3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(6.05,-2.8,;4.72,-3.57,;3.39,-2.8,;3.39,-1.26,;2.05,-.49,;.72,-1.26,;-.62,-.49,;-1.95,-1.26,;-1.95,-2.8,;-.62,-2.03,;-3.28,-.49,;-3.27,1.05,;-4.73,1.53,;-5.64,.28,;-6.41,-1.05,;-6.41,1.61,;-5.64,2.95,;-6.41,4.28,;-5.93,5.75,;-7.18,6.65,;-7.18,8.19,;-8.42,5.75,;-7.95,4.28,;-4.73,-.97,;.72,-2.8,;2.05,-3.57,;4.72,-5.11,;3.39,-5.88,;3.39,-7.42,;4.72,-8.19,;6.05,-7.42,;7.52,-7.9,;8.42,-6.65,;7.52,-5.4,;6.05,-5.88,)|
C[C@H]1CCCN1S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:10.10,1.0,wD:13.17,(-6.89,1.03,;-6.12,2.37,;-7.03,3.61,;-6.12,4.86,;-4.66,4.38,;-4.68,2.84,;-3.34,2.07,;-3.34,.53,;-2.01,1.3,;-2.01,2.84,;-.68,2.07,;.66,2.84,;1.99,2.07,;1.99,.53,;.66,-.24,;-.68,.53,;3.33,-.24,;4.66,.53,;3.33,-1.78,;1.99,-2.55,;1.99,-4.09,;3.33,-4.86,;4.66,-4.09,;6.12,-4.56,;7.03,-3.32,;6.12,-2.07,;4.66,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)c2ncccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.89,.53,;5.56,-.24,;4.22,.53,;4.22,2.07,;2.89,2.84,;1.56,2.07,;.22,2.84,;-1.11,2.07,;-1.11,.53,;.22,1.3,;-2.44,2.84,;-2.43,4.38,;-3.89,4.86,;-4.8,3.61,;-3.89,2.37,;-6.29,3.21,;-7.37,4.3,;-8.86,3.9,;-9.26,2.42,;-8.17,1.33,;-6.68,1.73,;1.56,.53,;2.89,-.24,;5.56,-1.78,;4.22,-2.55,;4.22,-4.09,;5.56,-4.86,;6.89,-4.09,;8.36,-4.56,;9.26,-3.32,;8.36,-2.07,;6.89,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)Oc2ccccc2C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,13.15,(6.64,-2.24,;5.3,-3.01,;3.97,-2.24,;3.97,-.7,;2.64,.07,;1.3,-.7,;-.03,.07,;-1.36,-.7,;-1.36,-2.24,;-.03,-1.47,;-2.7,.07,;-4.15,-.41,;-5.05,.84,;-4.15,2.08,;-2.68,1.61,;-4.54,3.57,;-6.03,3.97,;-7.12,2.88,;-8.61,3.28,;-9.01,4.77,;-7.92,5.85,;-6.43,5.46,;-5.34,6.54,;-4.25,7.63,;1.3,-2.24,;2.64,-3.01,;5.3,-4.55,;3.97,-5.32,;3.97,-6.86,;5.3,-7.63,;6.64,-6.86,;8.1,-7.34,;9.01,-6.09,;8.1,-4.85,;6.64,-5.32,)|
COc1ccccc1CS(=O)(=O)[C@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:21.22,12.12,wD:24.29,(-6.94,-2.74,;-6.54,-1.25,;-7.63,-.16,;-9.11,-.56,;-10.2,.53,;-9.81,2.02,;-8.32,2.42,;-7.23,1.33,;-5.74,1.73,;-5.34,3.21,;-6.43,4.3,;-6.83,2.81,;-3.86,3.61,;-2.95,4.86,;-1.49,4.38,;-1.5,2.84,;-2.95,2.37,;-.17,2.07,;-.17,.53,;1.17,1.3,;1.17,2.84,;2.5,2.07,;3.83,2.84,;5.17,2.07,;5.17,.53,;3.83,-.24,;2.5,.53,;6.5,-.24,;7.83,.53,;6.5,-1.78,;5.17,-2.55,;5.17,-4.09,;6.5,-4.86,;7.83,-4.09,;9.3,-4.56,;10.2,-3.32,;9.3,-2.07,;7.83,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(Cn3cccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(5.04,-1.36,;3.71,-2.13,;2.38,-1.36,;2.38,.18,;1.04,.95,;-.29,.18,;-1.62,.95,;-2.96,.18,;-2.96,-1.36,;-1.62,-.59,;-4.29,.95,;-4.27,2.49,;-5.74,2.96,;-6.64,1.72,;-7.41,.38,;-7.41,3.05,;-6.64,4.38,;-7.12,5.85,;-5.87,6.75,;-4.63,5.85,;-5.1,4.38,;-5.74,.47,;-.29,-1.36,;1.04,-2.13,;3.71,-3.67,;2.38,-4.44,;2.38,-5.98,;3.71,-6.75,;5.04,-5.98,;6.51,-6.46,;7.41,-5.21,;6.51,-3.97,;5.04,-4.44,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@](O)(C2)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(6.49,-.68,;5.16,-1.45,;3.82,-.68,;3.82,.86,;2.49,1.63,;1.16,.86,;-.18,1.63,;-1.51,.86,;-1.51,-.68,;-.18,.09,;-2.84,1.63,;-2.83,3.17,;-4.29,3.65,;-5.2,2.4,;-5.97,1.07,;-4.29,1.16,;-6.29,3.49,;-5.89,4.98,;-6.98,6.07,;-8.46,5.67,;-8.86,4.18,;-7.77,3.09,;1.16,-.68,;2.49,-1.45,;5.16,-2.99,;3.82,-3.76,;3.82,-5.3,;5.16,-6.07,;6.49,-5.3,;7.96,-5.77,;8.86,-4.53,;7.96,-3.28,;6.49,-3.76,)|
CN([C@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12)C(=O)OC(C)(C)C |r,wU:11.11,wD:14.18,2.1,(-3.26,4.8,;-4.35,3.72,;-3.95,2.23,;-4.85,.98,;-3.95,-.26,;-2.5,.21,;-2.48,1.75,;-1.17,-.56,;-1.17,-2.1,;.17,-1.33,;.17,.21,;1.5,-.56,;2.84,.21,;4.17,-.56,;4.17,-2.1,;2.84,-2.87,;1.5,-2.1,;5.5,-2.87,;6.84,-2.1,;5.5,-4.41,;4.17,-5.18,;4.17,-6.72,;5.5,-7.49,;6.84,-6.72,;8.3,-7.19,;9.21,-5.95,;8.3,-4.7,;6.84,-5.18,;-5.83,4.11,;-6.92,3.03,;-6.23,5.6,;-7.72,6,;-8.12,7.49,;-8.81,4.91,;-9.21,6.4,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)c2ccccc2F)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.89,.53,;5.56,-.24,;4.22,.53,;4.22,2.07,;2.89,2.84,;1.56,2.07,;.22,2.84,;-1.11,2.07,;-1.11,.53,;.22,1.3,;-2.44,2.84,;-2.43,4.38,;-3.89,4.86,;-4.8,3.61,;-3.89,2.37,;-6.29,3.21,;-7.37,4.3,;-8.86,3.9,;-9.26,2.42,;-8.17,1.33,;-6.68,1.73,;-5.6,.64,;1.56,.53,;2.89,-.24,;5.56,-1.78,;4.22,-2.55,;4.22,-4.09,;5.56,-4.86,;6.89,-4.09,;8.36,-4.56,;9.26,-3.32,;8.36,-2.07,;6.89,-2.55,)|
CCc1ccc(COC[C@H]2CCN(C2)S(=O)(=O)C[C@H]2CC[C@@H](CC2)N(C)c2ncnc3[nH]ccc23)nc1 |r,wU:18.18,9.8,wD:21.25,(-8.08,-5.28,;-9.17,-4.2,;-8.77,-2.71,;-9.86,-1.62,;-9.46,-.13,;-7.97,.27,;-7.57,1.75,;-6.09,2.15,;-5.69,3.64,;-4.2,4.04,;-3.3,5.28,;-1.83,4.81,;-1.85,3.27,;-3.3,2.79,;-.51,2.5,;-.51,.96,;.82,1.73,;.82,3.27,;2.15,2.5,;3.49,3.27,;4.82,2.5,;4.82,.96,;3.49,.19,;2.15,.96,;6.15,.19,;7.49,.96,;6.15,-1.35,;4.82,-2.12,;4.82,-3.66,;6.15,-4.43,;7.49,-3.66,;8.95,-4.14,;9.86,-2.89,;8.95,-1.65,;7.49,-2.12,;-6.88,-.82,;-7.28,-2.31,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@](CO)(CCO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,13.13,(5.95,.53,;4.61,-.24,;3.28,.53,;3.28,2.07,;1.95,2.84,;.61,2.07,;-.72,2.84,;-2.05,2.07,;-2.05,.53,;-.72,1.3,;-3.39,2.84,;-3.37,4.38,;-4.84,4.86,;-5.74,3.61,;-6.83,4.7,;-8.32,4.3,;-6.51,2.28,;-5.74,.94,;-6.51,-.39,;-4.84,2.37,;.61,.53,;1.95,-.24,;4.61,-1.78,;3.28,-2.55,;3.28,-4.09,;4.61,-4.86,;5.95,-4.09,;7.41,-4.56,;8.32,-3.32,;7.41,-2.07,;5.95,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](COCc3cccnc3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(7.49,.53,;6.15,-.24,;4.82,.53,;4.82,2.07,;3.49,2.84,;2.15,2.07,;.82,2.84,;-.51,2.07,;-.51,.53,;.82,1.3,;-1.85,2.84,;-1.83,4.38,;-3.3,4.86,;-4.2,3.61,;-5.69,3.21,;-6.09,1.73,;-7.57,1.33,;-7.97,-.16,;-9.46,-.56,;-9.86,-2.05,;-8.77,-3.14,;-7.28,-2.74,;-6.88,-1.25,;-3.3,2.37,;2.15,.53,;3.49,-.24,;6.15,-1.78,;4.82,-2.55,;4.82,-4.09,;6.15,-4.86,;7.49,-4.09,;8.95,-4.56,;9.86,-3.32,;8.95,-2.07,;7.49,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(CSc3ccccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(6.84,-1.97,;5.5,-2.74,;4.17,-1.97,;4.17,-.43,;2.84,.34,;1.5,-.43,;.17,.34,;-1.16,-.43,;-1.16,-1.97,;.17,-1.2,;-2.5,.34,;-2.48,1.88,;-3.95,2.36,;-4.85,1.11,;-5.62,-.22,;-5.94,2.2,;-5.54,3.69,;-6.63,4.78,;-6.23,6.27,;-7.32,7.36,;-8.81,6.96,;-9.21,5.47,;-8.12,4.38,;-3.95,-.13,;1.5,-1.97,;2.84,-2.74,;5.5,-4.28,;4.17,-5.05,;4.17,-6.59,;5.5,-7.36,;6.84,-6.59,;8.3,-7.06,;9.21,-5.82,;8.3,-4.57,;6.84,-5.05,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)OCC(=O)N2CCCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.28,.53,;5.94,-.24,;4.61,.53,;4.61,2.07,;3.28,2.84,;1.94,2.07,;.61,2.84,;-.72,2.07,;-.72,.53,;.61,1.3,;-2.06,2.84,;-2.04,4.38,;-3.51,4.86,;-4.41,3.61,;-3.51,2.37,;-5.9,3.21,;-6.3,1.73,;-7.78,1.33,;-8.87,2.42,;-8.18,-.16,;-9.65,-.64,;-9.65,-2.18,;-8.18,-2.65,;-7.28,-1.41,;1.94,.53,;3.28,-.24,;5.94,-1.78,;4.61,-2.55,;4.61,-4.09,;5.94,-4.86,;7.28,-4.09,;8.74,-4.56,;9.65,-3.32,;8.74,-2.07,;7.28,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@](C)(O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(4.95,-.01,;3.62,-.78,;2.28,-.01,;2.28,1.53,;.95,2.3,;-.38,1.53,;-1.72,2.3,;-3.05,1.53,;-3.05,-.01,;-1.72,.76,;-4.38,2.3,;-5.83,1.82,;-6.74,3.07,;-5.83,4.31,;-7.32,4.71,;-4.74,5.4,;-4.37,3.84,;-.38,-.01,;.95,-.78,;3.62,-2.32,;2.28,-3.09,;2.28,-4.63,;3.62,-5.4,;4.95,-4.63,;6.42,-5.11,;7.32,-3.86,;6.42,-2.62,;4.95,-3.09,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](C2)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(5.35,-1.7,;4.02,-2.47,;2.68,-1.7,;2.68,-.16,;1.35,.61,;.01,-.16,;-1.32,.61,;-2.65,-.16,;-2.65,-1.7,;-1.32,-.93,;-3.99,.61,;-5.43,.13,;-6.34,1.38,;-5.43,2.63,;-3.97,2.15,;-5.83,4.11,;-4.74,5.2,;-5.14,6.69,;-6.63,7.09,;-7.72,6,;-7.32,4.51,;.01,-1.7,;1.35,-2.47,;4.02,-4.01,;2.68,-4.78,;2.68,-6.32,;4.02,-7.09,;5.35,-6.32,;6.81,-6.8,;7.72,-5.55,;6.81,-4.3,;5.35,-4.78,)|
CCN(CC)C(=O)CO[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.18,wD:21.25,9.8,(-9.86,-2.05,;-9.46,-.56,;-7.97,-.16,;-6.88,-1.25,;-7.28,-2.74,;-7.57,1.33,;-8.66,2.42,;-6.09,1.73,;-5.69,3.21,;-4.2,3.61,;-3.3,4.86,;-1.83,4.38,;-1.85,2.84,;-3.3,2.37,;-.51,2.07,;-.51,.53,;.82,1.3,;.82,2.84,;2.15,2.07,;3.49,2.84,;4.82,2.07,;4.82,.53,;3.49,-.24,;2.15,.53,;6.15,-.24,;7.49,.53,;6.15,-1.78,;4.82,-2.55,;4.82,-4.09,;6.15,-4.86,;7.49,-4.09,;8.95,-4.56,;9.86,-3.32,;8.95,-2.07,;7.49,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](Cc3cnccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(6.55,.53,;5.21,-.24,;3.88,.53,;3.88,2.07,;2.54,2.84,;1.21,2.07,;-.12,2.84,;-1.46,2.07,;-1.46,.53,;-.12,1.3,;-2.79,2.84,;-2.77,4.38,;-4.24,4.86,;-5.14,3.61,;-6.63,3.21,;-7.03,1.73,;-8.52,1.33,;-8.92,-.16,;-7.83,-1.25,;-6.34,-.85,;-5.94,.64,;-4.24,2.37,;1.21,.53,;2.54,-.24,;5.21,-1.78,;3.88,-2.55,;3.88,-4.09,;5.21,-4.86,;6.55,-4.09,;8.01,-4.56,;8.92,-3.32,;8.01,-2.07,;6.55,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(C2)c2ccccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(4.95,-1.3,;3.62,-2.07,;2.28,-1.3,;2.28,.24,;.95,1.01,;-.38,.24,;-1.72,1.01,;-3.05,.24,;-3.05,-1.3,;-1.72,-.53,;-4.38,1.01,;-5.83,.53,;-6.74,1.78,;-5.83,3.03,;-7.32,3.42,;-4.37,2.55,;-4.74,4.11,;-3.26,3.72,;-2.17,4.8,;-2.57,6.29,;-4.05,6.69,;-5.14,5.6,;-.38,-1.3,;.95,-2.07,;3.62,-3.61,;2.28,-4.38,;2.28,-5.92,;3.62,-6.69,;4.95,-5.92,;6.42,-6.4,;7.32,-5.15,;6.42,-3.9,;4.95,-4.38,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](Cc3ccccc3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(6.55,.53,;5.21,-.24,;3.88,.53,;3.88,2.07,;2.54,2.84,;1.21,2.07,;-.12,2.84,;-1.46,2.07,;-1.46,.53,;-.12,1.3,;-2.79,2.84,;-2.77,4.38,;-4.24,4.86,;-5.14,3.61,;-6.63,3.21,;-7.03,1.73,;-8.52,1.33,;-8.92,-.16,;-7.83,-1.25,;-6.34,-.85,;-5.94,.64,;-4.24,2.37,;1.21,.53,;2.54,-.24,;5.21,-1.78,;3.88,-2.55,;3.88,-4.09,;5.21,-4.86,;6.55,-4.09,;8.01,-4.56,;8.92,-3.32,;8.01,-2.07,;6.55,-2.55,)|
CCN1CCN(C[C@H]2CCN(C2)S(=O)(=O)C[C@H]2CC[C@@H](CC2)N(C)c2ncnc3[nH]ccc23)C(=O)C1=O |r,wU:16.16,7.6,wD:19.23,(-6.39,-3.83,;-7.48,-2.74,;-7.08,-1.25,;-5.6,-.85,;-5.2,.64,;-6.29,1.73,;-5.89,3.21,;-4.4,3.61,;-3.49,4.86,;-2.03,4.38,;-2.05,2.84,;-3.49,2.37,;-.71,2.07,;-.71,.53,;.62,1.3,;.62,2.84,;1.95,2.07,;3.29,2.84,;4.62,2.07,;4.62,.53,;3.29,-.24,;1.95,.53,;5.96,-.24,;7.29,.53,;5.96,-1.78,;4.62,-2.55,;4.62,-4.09,;5.96,-4.86,;7.29,-4.09,;8.75,-4.56,;9.66,-3.32,;8.75,-2.07,;7.29,-2.55,;-7.77,1.33,;-8.86,2.42,;-8.17,-.16,;-9.66,-.56,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H]2Cc2cccc(C)n2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.15,wD:2.1,(6.64,.53,;5.3,-.24,;3.97,.53,;3.97,2.07,;2.64,2.84,;1.3,2.07,;-.03,2.84,;-1.36,2.07,;-1.36,.53,;-.03,1.3,;-2.7,2.84,;-2.68,4.38,;-4.15,4.86,;-5.05,3.61,;-4.15,2.37,;-4.54,.88,;-6.03,.48,;-7.12,1.57,;-8.61,1.17,;-9.01,-.32,;-7.92,-1.41,;-8.32,-2.89,;-6.43,-1.01,;1.3,.53,;2.64,-.24,;5.3,-1.78,;3.97,-2.55,;3.97,-4.09,;5.3,-4.86,;6.64,-4.09,;8.1,-4.56,;9.01,-3.32,;8.1,-2.07,;6.64,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)c2ccccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.89,.53,;5.56,-.24,;4.22,.53,;4.22,2.07,;2.89,2.84,;1.56,2.07,;.22,2.84,;-1.11,2.07,;-1.11,.53,;.22,1.3,;-2.44,2.84,;-2.43,4.38,;-3.89,4.86,;-4.8,3.61,;-3.89,2.37,;-6.29,3.21,;-7.37,4.3,;-8.86,3.9,;-9.26,2.42,;-8.17,1.33,;-6.68,1.73,;1.56,.53,;2.89,-.24,;5.56,-1.78,;4.22,-2.55,;4.22,-4.09,;5.56,-4.86,;6.89,-4.09,;8.36,-4.56,;9.26,-3.32,;8.36,-2.07,;6.89,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H]2CN2CCCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,14.15,(6.4,.53,;5.06,-.24,;3.73,.53,;3.73,2.07,;2.39,2.84,;1.06,2.07,;-.27,2.84,;-1.61,2.07,;-1.61,.53,;-.27,1.3,;-2.94,2.84,;-2.92,4.38,;-4.39,4.86,;-5.29,3.61,;-4.39,2.37,;-4.79,.88,;-6.27,.48,;-6.75,-.98,;-8.29,-.98,;-8.77,.48,;-7.52,1.39,;1.06,.53,;2.39,-.24,;5.06,-1.78,;3.73,-2.55,;3.73,-4.09,;5.06,-4.86,;6.4,-4.09,;7.86,-4.56,;8.77,-3.32,;7.86,-2.07,;6.4,-2.55,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(4.43,.8,;3.09,.03,;1.76,.8,;1.76,2.34,;.43,3.11,;-.91,2.34,;-2.24,3.11,;-3.58,2.34,;-3.58,.8,;-2.24,1.57,;-4.91,3.11,;-5.31,4.59,;-6.8,4.2,;-6.4,2.71,;-.91,.8,;.43,.03,;3.09,-1.51,;1.76,-2.28,;1.76,-3.82,;3.09,-4.59,;4.43,-3.82,;5.89,-4.3,;6.8,-3.05,;5.89,-1.81,;4.43,-2.28,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)c2ncccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.38,-.68,;5.05,-1.45,;3.71,-.68,;3.71,.86,;2.38,1.63,;1.05,.86,;-.29,1.63,;-1.62,.86,;-1.62,-.68,;-.29,.09,;-2.95,1.63,;-3.35,3.12,;-4.84,2.72,;-4.44,1.23,;-6.17,3.49,;-5.78,4.98,;-6.86,6.07,;-8.35,5.67,;-8.75,4.18,;-7.66,3.09,;1.05,-.68,;2.38,-1.45,;5.05,-2.99,;3.71,-3.76,;3.71,-5.3,;5.05,-6.07,;6.38,-5.3,;7.85,-5.77,;8.75,-4.53,;7.85,-3.28,;6.38,-3.76,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)c2cccnc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.38,-.68,;5.05,-1.45,;3.71,-.68,;3.71,.86,;2.38,1.63,;1.05,.86,;-.29,1.63,;-1.62,.86,;-1.62,-.68,;-.29,.09,;-2.95,1.63,;-3.35,3.12,;-4.84,2.72,;-4.44,1.23,;-6.17,3.49,;-5.78,4.98,;-6.86,6.07,;-8.35,5.67,;-8.75,4.18,;-7.66,3.09,;1.05,-.68,;2.38,-1.45,;5.05,-2.99,;3.71,-3.76,;3.71,-5.3,;5.05,-6.07,;6.38,-5.3,;7.85,-5.77,;8.75,-4.53,;7.85,-3.28,;6.38,-3.76,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(F)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(5.09,.61,;3.76,-.16,;2.43,.61,;2.43,2.15,;1.09,2.92,;-.24,2.15,;-1.58,2.92,;-2.91,2.15,;-2.91,.61,;-1.58,1.38,;-4.24,2.92,;-4.64,4.41,;-6.13,4.01,;-7.46,4.78,;-5.73,2.52,;-.24,.61,;1.09,-.16,;3.76,-1.7,;2.43,-2.47,;2.43,-4.01,;3.76,-4.78,;5.09,-4.01,;6.56,-4.49,;7.46,-3.24,;6.56,-1.99,;5.09,-2.47,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)c2nnn[nH]2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.28,-.4,;4.94,-1.17,;3.61,-.4,;3.61,1.14,;2.28,1.91,;.94,1.14,;-.39,1.91,;-1.72,1.14,;-1.72,-.4,;-.39,.37,;-3.06,1.91,;-3.46,3.4,;-4.94,3,;-4.55,1.51,;-6.28,3.77,;-7.74,3.3,;-8.65,4.54,;-7.74,5.79,;-6.28,5.31,;.94,-.4,;2.28,-1.17,;4.94,-2.71,;3.61,-3.48,;3.61,-5.02,;4.94,-5.79,;6.28,-5.02,;7.74,-5.49,;8.65,-4.25,;7.74,-3,;6.28,-3.48,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)S(=O)(=O)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(7.09,-.16,;5.76,-.93,;4.43,-.16,;4.43,1.38,;3.09,2.15,;1.76,1.38,;.43,2.15,;-.91,1.38,;-.91,-.16,;.43,.61,;-2.24,2.15,;-2.64,3.64,;-4.13,3.24,;-3.73,1.75,;-5.46,4.01,;-5.46,5.55,;-6.8,4.78,;-6.8,3.24,;-8.13,4.01,;-9.46,3.24,;-9.46,1.7,;-8.13,.93,;-6.8,1.7,;1.76,-.16,;3.09,-.93,;5.76,-2.47,;4.43,-3.24,;4.43,-4.78,;5.76,-5.55,;7.09,-4.78,;8.56,-5.26,;9.46,-4.01,;8.56,-2.76,;7.09,-3.24,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(5.09,.61,;3.76,-.16,;2.43,.61,;2.43,2.15,;1.09,2.92,;-.24,2.15,;-1.58,2.92,;-2.91,2.15,;-2.91,.61,;-1.58,1.38,;-4.24,2.92,;-4.64,4.41,;-6.13,4.01,;-7.46,4.78,;-5.73,2.52,;-.24,.61,;1.09,-.16,;3.76,-1.7,;2.43,-2.47,;2.43,-4.01,;3.76,-4.78,;5.09,-4.01,;6.56,-4.49,;7.46,-3.24,;6.56,-1.99,;5.09,-2.47,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)S(=O)(=O)CC2CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(7.2,-.16,;5.86,-.93,;4.53,-.16,;4.53,1.38,;3.2,2.15,;1.86,1.38,;.53,2.15,;-.81,1.38,;-.81,-.16,;.53,.61,;-2.14,2.15,;-2.54,3.64,;-4.03,3.24,;-3.63,1.75,;-5.36,4.01,;-5.36,5.55,;-6.69,4.78,;-6.69,3.24,;-8.03,4.01,;-8.8,5.34,;-9.57,4.01,;1.86,-.16,;3.2,-.93,;5.86,-2.47,;4.53,-3.24,;4.53,-4.78,;5.86,-5.55,;7.2,-4.78,;8.66,-5.26,;9.57,-4.01,;8.66,-2.76,;7.2,-3.24,)|
COC(=O)NC1CN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:13.13,wD:16.20,(-8.13,6.7,;-8.13,5.16,;-6.8,4.39,;-5.46,5.16,;-6.8,2.85,;-5.46,2.08,;-3.97,2.48,;-3.58,1,;-5.06,.6,;-2.24,.23,;-2.24,-1.31,;-.91,-.54,;-.91,1,;.43,.23,;1.76,1,;3.09,.23,;3.09,-1.31,;1.76,-2.08,;.43,-1.31,;4.43,-2.08,;5.76,-1.31,;4.43,-3.62,;3.09,-4.39,;3.09,-5.93,;4.43,-6.7,;5.76,-5.93,;7.22,-6.41,;8.13,-5.16,;7.22,-3.92,;5.76,-4.39,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ccc(C)cn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(7.48,-.77,;6.15,-1.54,;4.82,-.77,;4.82,.77,;3.48,1.54,;2.15,.77,;.82,1.54,;-.52,.77,;-.52,-.77,;.82,,;-1.85,1.54,;-1.85,3.08,;-3.19,3.85,;-4.52,3.08,;-4.52,1.54,;-3.19,.77,;-5.85,3.85,;-7.19,3.08,;-8.52,3.85,;-8.52,5.39,;-9.85,6.16,;-7.19,6.16,;-5.85,5.39,;2.15,-.77,;3.48,-1.54,;6.15,-3.08,;4.82,-3.85,;4.82,-5.39,;6.15,-6.16,;7.48,-5.39,;8.95,-5.87,;9.85,-4.62,;8.95,-3.37,;7.48,-3.85,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ccc(C)c(C)n2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(7.48,-.77,;6.15,-1.54,;4.82,-.77,;4.82,.77,;3.48,1.54,;2.15,.77,;.82,1.54,;-.52,.77,;-.52,-.77,;.82,,;-1.85,1.54,;-1.85,3.08,;-3.19,3.85,;-4.52,3.08,;-4.52,1.54,;-3.19,.77,;-5.85,3.85,;-5.85,5.39,;-7.19,6.16,;-8.52,5.39,;-9.85,6.16,;-8.52,3.85,;-9.85,3.08,;-7.19,3.08,;2.15,-.77,;3.48,-1.54,;6.15,-3.08,;4.82,-3.85,;4.82,-5.39,;6.15,-6.16,;7.48,-5.39,;8.95,-5.87,;9.85,-4.62,;8.95,-3.37,;7.48,-3.85,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ccccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.82,-.77,;5.48,-1.54,;4.15,-.77,;4.15,.77,;2.82,1.54,;1.48,.77,;.15,1.54,;-1.18,.77,;-1.18,-.77,;.15,,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-6.52,3.85,;-7.85,3.08,;-9.19,3.85,;-9.19,5.39,;-7.85,6.16,;-6.52,5.39,;1.48,-.77,;2.82,-1.54,;5.48,-3.08,;4.15,-3.85,;4.15,-5.39,;5.48,-6.16,;6.82,-5.39,;8.28,-5.87,;9.19,-4.62,;8.28,-3.37,;6.82,-3.85,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ncccc2C(=O)NC2CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(7.2,-.77,;5.87,-1.54,;4.53,-.77,;4.53,.77,;3.2,1.54,;1.87,.77,;.53,1.54,;-.8,.77,;-.8,-.77,;.53,,;-2.13,1.54,;-2.13,3.08,;-3.47,3.85,;-4.8,3.08,;-4.8,1.54,;-3.47,.77,;-6.13,3.85,;-6.13,5.39,;-7.47,6.16,;-8.8,5.39,;-8.8,3.85,;-7.47,3.08,;-7.47,1.54,;-6.13,.77,;-8.8,.77,;-8.8,-.77,;-9.57,-2.1,;-8.03,-2.1,;1.87,-.77,;3.2,-1.54,;5.87,-3.08,;4.53,-3.85,;4.53,-5.39,;5.87,-6.16,;7.2,-5.39,;8.67,-5.87,;9.57,-4.62,;8.67,-3.37,;7.2,-3.85,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ncccc2C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.82,-.77,;5.48,-1.54,;4.15,-.77,;4.15,.77,;2.82,1.54,;1.48,.77,;.15,1.54,;-1.18,.77,;-1.18,-.77,;.15,,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-6.52,3.85,;-6.52,5.39,;-7.85,6.16,;-9.19,5.39,;-9.19,3.85,;-7.85,3.08,;-7.85,1.54,;-7.85,,;1.48,-.77,;2.82,-1.54,;5.48,-3.08,;4.15,-3.85,;4.15,-5.39,;5.48,-6.16,;6.82,-5.39,;8.28,-5.87,;9.19,-4.62,;8.28,-3.37,;6.82,-3.85,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(Cc3ccccn3)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,-1.93,;4.82,-2.69,;3.48,-1.93,;3.48,-.38,;2.15,.38,;.82,-.38,;-.52,.38,;-1.85,-.38,;-1.85,-1.93,;-.52,-1.15,;-3.19,.38,;-3.19,1.93,;-4.52,2.7,;-5.85,1.93,;-7.19,2.69,;-7.19,4.23,;-8.52,5,;-8.52,6.54,;-7.19,7.31,;-5.85,6.54,;-5.85,5,;-5.85,.38,;-4.52,-.38,;.82,-1.93,;2.15,-2.69,;4.82,-4.23,;3.48,-5,;3.48,-6.54,;4.82,-7.31,;6.15,-6.54,;7.61,-7.02,;8.52,-5.78,;7.61,-4.53,;6.15,-5,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCSC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(4.66,.53,;3.33,-.24,;1.99,.53,;1.99,2.07,;.66,2.84,;-.68,2.07,;-2.01,2.84,;-3.34,2.07,;-3.34,.53,;-2.01,1.3,;-4.68,2.84,;-6.12,2.37,;-7.03,3.61,;-6.12,4.86,;-4.66,4.38,;-.68,.53,;.66,-.24,;3.33,-1.78,;1.99,-2.55,;1.99,-4.09,;3.33,-4.86,;4.66,-4.09,;6.12,-4.56,;7.03,-3.32,;6.12,-2.07,;4.66,-2.55,)|
CC[C@H]1CCCCC1NS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:13.13,2.2,wD:16.20,(-3.85,-.77,;-3.85,.77,;-5.19,1.54,;-6.52,.77,;-7.85,1.54,;-7.85,3.08,;-6.52,3.85,;-5.19,3.08,;-3.85,3.85,;-2.52,3.08,;-2.52,1.54,;-1.18,2.31,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;2.82,1.54,;1.48,.77,;.15,1.54,;4.15,.77,;5.48,1.54,;4.15,-.77,;2.82,-1.54,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;6.95,-3.56,;7.85,-2.31,;6.95,-1.06,;5.48,-1.54,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCS(=O)(=O)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(5.48,,;4.15,-.77,;2.82,,;2.82,1.54,;1.48,2.31,;.15,1.54,;-1.18,2.31,;-2.52,1.54,;-2.52,,;-1.18,.77,;-3.85,2.31,;-3.85,3.85,;-5.19,4.62,;-6.52,3.85,;-6.52,5.39,;-7.85,3.08,;-6.52,2.31,;-5.19,1.54,;.15,,;1.48,-.77,;4.15,-2.31,;2.82,-3.08,;2.82,-4.62,;4.15,-5.39,;5.48,-4.62,;6.95,-5.1,;7.85,-3.85,;6.95,-2.6,;5.48,-3.08,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC3(CNC(=O)C3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.91,.38,;-6.58,-.38,;-5.25,.38,;-5.25,1.93,;-3.91,2.69,;-2.58,1.93,;-1.25,2.69,;.09,1.93,;-.68,.59,;.86,.59,;1.42,2.69,;1.42,4.23,;2.76,5,;4.09,4.23,;4.09,2.69,;4.56,1.23,;6.1,1.23,;6.58,2.69,;7.91,3.47,;5.33,3.6,;2.76,1.93,;-2.58,.38,;-3.91,-.38,;-6.58,-1.93,;-7.91,-2.69,;-7.91,-4.23,;-6.58,-5,;-5.25,-4.23,;-3.78,-4.71,;-2.88,-3.47,;-3.78,-2.22,;-5.25,-2.69,)|
C[C@@H]1C[C@@H](CS(=O)(=O)N2CCC[C@@H](O)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r|
C[C@@H]1C[C@@H](CS(=O)(=O)N2CCC(CO)CC2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r|
C[C@@H]1C[C@@H](CS(=O)(=O)N2CCC[C@H](O)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r|
C[C@@H]1C[C@@H](CS(=O)(=O)N2CC[C@@H](CO)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r|
C[C@@H]1C[C@@H](CS(=O)(=O)N2CC[C@H](CO)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](C2)OC(=O)C(C)(C)C)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,(-8.67,.38,;-7.34,-.38,;-6,.38,;-6,1.93,;-4.67,2.69,;-3.33,1.93,;-2,2.69,;-.67,1.93,;-2,1.15,;-.67,.38,;.67,2.69,;.67,4.23,;2,5,;3.33,4.23,;3.33,2.69,;2,1.93,;4.67,1.93,;6,2.69,;6,4.23,;7.34,1.93,;8.67,2.69,;7.34,.38,;8.67,1.15,;-3.33,.38,;-4.67,-.38,;-7.34,-1.93,;-8.67,-2.69,;-8.67,-4.23,;-7.34,-5,;-6,-4.23,;-4.54,-4.71,;-3.63,-3.47,;-4.54,-2.22,;-6,-2.69,)|
C[C@H]1CN(C[C@@H]1CO)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,5.6,wD:12.12,1.0,(4.56,5.52,;3.79,4.19,;2.33,3.72,;2.33,2.18,;3.79,1.7,;4.7,2.95,;6.24,2.95,;7.01,1.61,;.99,1.41,;.22,.07,;1.76,.07,;-.34,2.18,;-1.67,1.41,;-3.01,2.18,;-4.34,1.41,;-4.34,-.13,;-3.01,-.9,;-1.67,-.13,;-5.67,-.9,;-7.01,-.13,;-5.67,-2.44,;-7.01,-3.21,;-7.01,-4.75,;-5.67,-5.52,;-4.34,-4.75,;-2.88,-5.23,;-1.97,-3.98,;-2.88,-2.74,;-4.34,-3.21,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(C)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(C)(O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.62,.49,;-5.29,-.28,;-3.96,.49,;-3.96,2.03,;-2.62,2.8,;-1.29,2.03,;.05,2.8,;1.38,2.03,;.61,.69,;2.15,.69,;2.71,2.8,;2.71,4.34,;4.18,4.81,;5.08,3.57,;5.85,4.9,;6.62,3.57,;4.18,2.32,;-1.29,.49,;-2.62,-.28,;-5.29,-1.82,;-6.62,-2.59,;-6.62,-4.13,;-5.29,-4.9,;-3.96,-4.13,;-2.49,-4.61,;-1.59,-3.36,;-2.49,-2.12,;-3.96,-2.59,)|
CC(C)COC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(7.27,-1.5,;6.87,-.01,;7.96,1.08,;5.38,.39,;5.38,1.93,;4.05,2.69,;4.05,4.23,;2.71,5,;1.38,4.23,;1.38,2.69,;2.71,1.93,;.05,1.93,;-.72,.59,;.82,.59,;-1.29,2.69,;-2.62,1.93,;-3.96,2.69,;-5.29,1.93,;-5.29,.38,;-3.96,-.38,;-2.62,.38,;-6.62,-.38,;-7.96,.38,;-6.62,-1.93,;-7.96,-2.69,;-7.96,-4.23,;-6.62,-5,;-5.29,-4.23,;-3.82,-4.71,;-2.92,-3.47,;-3.82,-2.22,;-5.29,-2.69,)|
COCCOC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(8,-2.69,;6.67,-1.92,;6.67,-.38,;5.33,.39,;5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,1.93,;-.77,.59,;.77,.59,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-2.67,.38,;-6.67,-.38,;-8,.38,;-6.67,-1.93,;-8,-2.69,;-8,-4.23,;-6.67,-5,;-5.33,-4.23,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.69,)|
CCOP(=O)(OCC)O[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:22.26,9.8,wD:19.19,(9.44,2.7,;8.11,1.93,;6.77,2.7,;5.23,2.7,;5.23,4.24,;6,1.36,;7.34,.59,;8.67,1.36,;3.9,1.93,;2.56,2.69,;2.56,4.23,;1.23,5,;-.1,4.23,;-.1,2.69,;1.23,1.93,;-1.44,1.93,;-2.21,.59,;-.67,.59,;-2.77,2.69,;-4.1,1.93,;-5.44,2.69,;-6.77,1.93,;-6.77,.38,;-5.44,-.38,;-4.1,.38,;-8.11,-.38,;-9.44,.38,;-8.11,-1.93,;-9.44,-2.69,;-9.44,-4.23,;-8.11,-5,;-6.77,-4.23,;-5.31,-4.71,;-4.4,-3.47,;-5.31,-2.22,;-6.77,-2.69,)|
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](C2)OP(O)(O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,(-8.11,.38,;-6.77,-.38,;-5.44,.38,;-5.44,1.93,;-4.1,2.69,;-2.77,1.93,;-1.44,2.69,;-.1,1.93,;-.87,.59,;.67,.59,;1.23,2.69,;1.23,4.23,;2.56,5,;3.9,4.23,;3.9,2.69,;2.56,1.93,;5.23,1.93,;6.57,2.7,;8.11,2.7,;7.34,1.36,;6.57,4.24,;-2.77,.38,;-4.1,-.38,;-6.77,-1.93,;-8.11,-2.69,;-8.11,-4.23,;-6.77,-5,;-5.44,-4.23,;-3.97,-4.71,;-3.07,-3.47,;-3.97,-2.22,;-5.44,-2.69,)|
Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12
Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C
Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1ccccc1C
Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(c4)C(F)(F)F)nc23)on1
Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1
Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1
Nc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1
O=C(NC1CCOCC1)c1cnn2ccc(NC3Cc4ccccc4C3)nc12
O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(NC3CCc4ccccc34)nc12 |r,wU:1.0,(-2.56,-5.93,;-2.16,-4.44,;-3.25,-3.35,;-2.85,-1.87,;-1.36,-1.47,;-.27,-2.56,;-.67,-4.04,;-.96,.02,;-2.05,1.11,;-3.54,.71,;-1.66,2.6,;-2.56,3.84,;-1.66,5.09,;-.19,4.61,;1.14,5.38,;2.48,4.61,;2.48,3.07,;3.81,2.3,;3.81,.76,;2.56,-.14,;3.04,-1.61,;4.58,-1.61,;5.67,-2.7,;7.16,-2.3,;7.56,-.81,;6.47,.28,;5.06,-.14,;1.14,2.3,;-.19,3.07,)|
Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1ccccc1C
Clc1cnc2Nc3cccc(COc4cccc(CNc1n2)c4)c3
Clc1cnc2Nc3cccc(CCOc4cccc(CNc1n2)c4)c3
Clc1cnc2Nc3cccc(c3)S(=O)(=O)Nc3cccc(CNc1n2)c3
Clc1cnc2Nc3cccc(c3)C(=O)Nc3cccc(CNc1n2)c3
Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3
C[C@H]1Nc2nc(Nc3cccc(COc4cccc1c4)c3)ncc2Cl |r|
Clc1cnc2Nc3cccc(OCCOc4cccc(CNc1n2)c4)c3
Clc1cnc2Nc3cccc(COc4cccc(CCNc1n2)c4)c3
Clc1cnc2Nc3cccc(CCOc4cccc(CCNc1n2)c4)c3
Clc1cnc2Nc3cccc(COc4cccc(CCCNc1n2)c4)c3
C[C@@H]1Nc2nc(Nc3cccc(COc4cccc1c4)c3)ncc2Cl |r|
Clc1cnc2Nc3cccc(CCCOc4cccc(CCNc1n2)c4)c3
Clc1cnc2Nc3cccc(CCOc4cccc(CCCNc1n2)c4)c3
Clc1cnc2Nc3cccc(CCCOc4ccc(Br)c(CNc1n2)c4)c3
Clc1cnc2Nc3cccc(CCCOc4ccc(c(CNc1n2)c4)-c1ccccc1)c3
Clc1cnc2Nc3cccc(CCCOc4cc(Br)cc(CNc1n2)c4)c3
Nc1ccc2CNc3nc(Nc4cncc(CCc1c2)c4)ncc3Cl
Clc1cnc2Nc3cncc(CCc4cc(CNc1n2)ccc4NC(=O)c1ccccc1)c3
Clc1cnc2Nc3cncc(CCc4cc(CNc1n2)ccc4NS(=O)(=O)c1ccccc1C#N)c3
NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Fc1cncc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r|
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1 |r,wD:9.9,27.29,(-7.78,2.63,;-6.29,2.23,;-5.21,3.32,;-5.6,4.81,;-4.51,5.9,;-3.03,5.5,;-1.94,6.59,;-2.63,4.01,;-3.72,2.92,;-3.32,1.43,;-4.22,.19,;-3.32,-1.06,;-1.85,-.58,;-1.85,.96,;-.52,1.73,;-.52,3.27,;.81,4.04,;2.15,3.27,;3.61,3.74,;4.52,2.5,;3.61,1.25,;4.01,-.24,;2.92,-1.33,;5.5,-.64,;5.9,-2.12,;7.38,-2.52,;7.78,-4.01,;6.69,-5.1,;7.09,-6.59,;5.21,-4.7,;4.81,-3.21,;2.15,1.73,;.81,.96,)|
CC(C)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r|
Fc1cncc(c1)C1CCCN1c1ccn2ncc(C(=O)NCC3CC3)c2n1
CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1
Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r|
CC1(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r|
C[C@@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C1CC1 |r|
C[C@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C1CC1 |r|
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1
Fc1cncc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(CC3)C(F)(F)F)c2n1 |r|
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1 |r,wD:26.28,(-7.38,2.87,;-6.05,3.64,;-6.05,5.18,;-4.72,5.95,;-3.38,5.18,;-2.05,5.95,;-3.38,3.64,;-4.72,2.87,;-4.72,1.33,;-5.96,.42,;-5.49,-1.04,;-3.95,-1.04,;-3.47,.42,;-2.14,1.19,;-2.14,2.73,;-.8,3.5,;.53,2.73,;1.99,3.21,;2.9,1.96,;1.99,.72,;2.76,-.62,;1.99,-1.95,;4.3,-.62,;5.07,-1.95,;6.61,-1.95,;7.38,-3.28,;6.61,-4.62,;7.38,-5.95,;5.07,-4.62,;4.3,-3.28,;.53,1.19,;-.8,.42,)|
CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(Sc2ccc(F)cc2)c1=O
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccsn1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)S(=O)(=O)c1ccc(nc1)N1CCOCC1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)S(=O)(=O)c1ccc(Oc2ccccc2)nc1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1cc(ccn1)C#N
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccc(F)cc1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccsn1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)S(=O)(=O)c1ccc(F)cc1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc3ccccc3)CCc2[nH]1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(nc1)C#N
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccc(nc1)C#N
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3ccc4ncccc4c3)CCc2[nH]1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3ccc(O)cc3)CCc2[nH]1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3cccc(O)c3)CCc2[nH]1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3ccnc(c3)C#N)CCc2[nH]1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3cccc(OC)c3)CCc2[nH]1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3cnc4ccccc4c3)CCc2[nH]1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3ccc(Oc4ccccc4)nc3)CCc2[nH]1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3cccnc3C#N)CCc2[nH]1
Oc1cc(CC(F)(F)F)c(cc1F)-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Oc1cc(CC(F)(F)F)c(cc1F)-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3ccccc3)CCc2[nH]1
CC(=O)Nc1cc2c(N[C@@H]3CC[C@@](C)(O)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(NS(=O)(=O)c4ccccc4)cc23)C(N)=O)C1(C)C |r|
C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(NS(=O)(=O)c4ccc(Cl)cc4)cc23)C(N)=O)C1(C)C |r|
COc1ccc(cc1)S(=O)(=O)Nc1cc2c(N[C@@H]3CC[C@@](C)(O)C3(C)C)c(cnn2c1)C(N)=O |r|
CCS(=O)(=O)Nc1cc2c(N[C@@H]3CC[C@@](C)(O)C3(C)C)c(cnn2c1)C(N)=O |r|
CC(C)c1ccccc1-c1cc2c(N[C@@H]3CCC[C@]3(C)F)c(cnn2c1)C(N)=O |r|
C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1cncc2ccccc12)C(N)=O |r|
Cc1cccc(c1)-c1cc2c(N[C@@H]3CCC[C@]3(C)F)c(cnn2c1)C(N)=O |r|
C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1cccc(c1)C(N)=O)C(N)=O |r|
C[C@@]1(N)CC[C@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C#N)C(N)=O)C1(C)C |r|
CC1(CCCC1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O)C#N
CC1(C)[C@@H](CC[C@]1(C)NS(C)(=O)=O)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
Cn1nccc1-c1cc2c(N[C@@H]3C[C@@H](O)[C@@H](O)C3(C)C)c(cnn2c1)C(N)=O |r|
Cn1nccc1-c1cc2c(N[C@@H]3CC[C@](C)(O)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)N1CCCC1=O)C(N)=O |r|
Cn1nccc1-c1cc2c(N[C@H]3CC[C@@](C)(O)CC3)c(cnn2c1)C(N)=O |r,wU:11.11,14.16,wD:14.15,(-3.57,-4.75,;-4.34,-3.42,;-5.81,-2.95,;-5.81,-1.41,;-4.34,-.93,;-3.44,-2.18,;-1.9,-2.18,;-.99,-.93,;.47,-1.41,;1.81,-.64,;1.81,.9,;.47,1.67,;-.86,.9,;-2.19,1.67,;-2.19,3.21,;-3.53,3.98,;-2.19,4.75,;-.86,3.98,;.47,3.21,;3.14,-1.41,;3.14,-2.95,;1.81,-3.72,;.47,-2.95,;-.99,-3.42,;4.47,-.64,;5.81,-1.41,;4.47,.9,)|
C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1ccccc1C(N)=O)C(N)=O |r,wU:5.8,1.1,wD:1.0,(-3.17,4.7,;-1.84,3.93,;-1.84,5.47,;-1.84,2.39,;-.51,1.62,;.83,2.39,;.83,3.93,;-.51,4.7,;2.16,1.62,;2.16,.08,;3.49,-.69,;3.49,-2.23,;2.16,-3,;.83,-2.23,;-.64,-2.71,;-1.54,-1.46,;-.64,-.22,;.83,-.69,;-3.08,-1.46,;-3.85,-.13,;-5.39,-.13,;-6.16,-1.46,;-5.39,-2.8,;-3.82,-2.85,;-3.05,-4.18,;-3.82,-5.51,;-1.51,-4.18,;4.83,.08,;6.16,-.69,;4.83,1.62,)|
C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1ccc(cc1)[N+]#[C-])C(N)=O |r,wU:5.8,1.1,wD:1.0,(-1.63,3.47,;-.3,2.69,;-.3,4.23,;-.3,1.15,;1.03,.38,;2.37,1.15,;2.37,2.69,;1.03,3.47,;3.7,.38,;3.7,-1.15,;5.03,-1.93,;5.03,-3.47,;3.7,-4.23,;2.37,-3.47,;.9,-3.94,;-0,-2.69,;.9,-1.45,;2.37,-1.93,;-1.54,-2.69,;-2.31,-1.36,;-3.85,-1.36,;-4.68,-2.69,;-3.85,-4.03,;-2.31,-4.03,;-6.22,-2.69,;-7.76,-2.69,;6.37,-1.15,;7.7,-1.93,;6.37,.38,)|
C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1cncnc1)C(N)=O |r,wU:5.8,1.1,wD:1.0,(-3.17,3.47,;-1.84,2.69,;-1.84,4.23,;-1.84,1.15,;-.51,.38,;.83,1.15,;.83,2.69,;-.51,3.47,;2.16,.38,;2.16,-1.15,;3.49,-1.93,;3.49,-3.47,;2.16,-4.23,;.83,-3.47,;-.64,-3.94,;-1.54,-2.69,;-.64,-1.45,;.83,-1.93,;-3.08,-2.69,;-3.85,-1.36,;-5.39,-1.36,;-6.16,-2.69,;-5.39,-4.03,;-3.85,-4.03,;4.83,-1.15,;6.16,-1.93,;4.83,.38,)|
COc1cccc(c1)-c1cc2c(NC3C4CC5CC3CC(O)(C5)C4)c(cnn2c1)C(N)=O |TLB:21:20:13:15.16.17,12:13:15:20.22.23,12:13:20.19.23:15.16.17,THB:22:20:13:15.16.17,22:16:13:20.19.23,19:20:15:13.18.17,19:18:15:20.22.23,(-6.93,-.59,;-5.39,-.59,;-4.62,-1.93,;-5.39,-3.26,;-4.62,-4.59,;-3.08,-4.59,;-2.31,-3.26,;-3.08,-1.93,;-.77,-3.26,;.13,-2.01,;1.6,-2.49,;2.93,-1.72,;2.93,-.18,;1.6,.59,;.76,2.49,;.76,4.03,;-.57,4.8,;.19,3.63,;.2,1.23,;-1,.57,;-1.9,2.49,;-3.23,1.72,;-1.9,4.03,;-.57,1.72,;4.26,-2.49,;4.26,-4.03,;2.93,-4.8,;1.6,-4.03,;.13,-4.51,;5.6,-1.72,;6.93,-2.49,;5.6,-.18,)|
Cc1ccc(cc1)-c1cc2c(NC3C4CC5CC3CC(O)(C5)C4)c(cnn2c1)C(N)=O |TLB:20:19:12:14.15.16,11:12:14:19.21.22,11:12:19.18.22:14.15.16,THB:21:19:12:14.15.16,21:15:12:19.18.22,18:19:14:12.17.16,18:17:14:19.21.22,(-6.93,-3.26,;-5.39,-3.26,;-4.62,-1.93,;-3.08,-1.93,;-2.31,-3.26,;-3.08,-4.59,;-4.62,-4.59,;-.77,-3.26,;.13,-2.01,;1.6,-2.49,;2.93,-1.72,;2.93,-.18,;1.6,.59,;.76,2.49,;.76,4.03,;-.57,4.8,;.19,3.63,;.2,1.23,;-1,.57,;-1.9,2.49,;-3.23,1.72,;-1.9,4.03,;-.57,1.72,;4.26,-2.49,;4.26,-4.03,;2.93,-4.8,;1.6,-4.03,;.13,-4.51,;5.6,-1.72,;6.93,-2.49,;5.6,-.18,)|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccnc2)C(N)=O)C1(C)C |r|
Cc1ccncc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(nc2)N2CCCC2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C(=O)NC2CC2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2C(N)=O)C(N)=O)C1(C)C |r|
CC(=O)Nc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
CN(C)C(=O)c1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(CO)cc2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc3ncccc23)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cncc(c2)C(O)=O)C(N)=O)C1(C)C |r|
COc1ncc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
COc1cncc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2)C(N)=O)C1(C)C |r|
NC(=O)c1cnn2cc(cc2c1NC12CC3CC(O)(CC(O)(C3)C1)C2)-c1ccc(F)cc1 |TLB:24:13:22:17.19.16,18:17:14:22.20.23,THB:19:17:14:22.20.23,19:20:14:17.24.16,24:17:22:14.13.23,12:13:22:17.19.16|
NC(=O)c1cnn2cc(cc2c1NC12CC3CC(O)(CC(O)(C3)C1)C2)-c1ccc2scnc2c1 |TLB:24:13:22:17.19.16,18:17:14:22.20.23,THB:19:17:14:22.20.23,19:20:14:17.24.16,24:17:22:14.13.23,12:13:22:17.19.16|
CC1(C)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)N2CCOCC2=O)C(N)=O)C1(C)C |r|
C[C@]1(O)CCCC[C@@H]1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1cncnc1N)C(N)=O |r,wU:5.8,1.1,wD:1.0,(-2.61,4.7,;-1.84,3.36,;-3.38,3.36,;-1.84,1.82,;-.51,1.05,;.83,1.82,;.83,3.36,;-.51,4.13,;2.16,1.05,;2.16,-.49,;3.49,-1.26,;3.49,-2.8,;2.16,-3.57,;.83,-2.8,;-.64,-3.27,;-1.54,-2.03,;-.64,-.78,;.83,-1.26,;-3.08,-2.03,;-3.85,-.69,;-5.39,-.69,;-6.16,-2.03,;-5.39,-3.36,;-3.85,-3.36,;-3.08,-4.7,;4.83,-.49,;6.16,-1.26,;4.83,1.05,)|
C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)N1CCOC1=O)C(N)=O |r|
C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)N1CCOCC1=O)C(N)=O |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)N2CCCC2=O)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)N2CCC2=O)C(N)=O)C1(C)C |r|
COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(NS(C)(=O)=O)C3(C)C)c(cnn2c1)C(N)=O |r|
CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(C(N)=O)C3(C)C)c(cnn2c1)C(N)=O |r|
CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccc(F)nc1)C(N)=O |r|
CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccc(nc1)C#N)C(N)=O |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@H]1CCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@H]1CCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1CCCC[C@H]1C#N |r|
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCC[C@@H]2C#N)cc1 |r|
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCC[C@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@H]1CCCC[C@@H]1[N+]#[C-] |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1CC2(CCC1C#N)OCCO2
COC(=O)C1CC[C@H](C#N)C(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1[C@H](O)CCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1[C@H](O)CCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1[C@@H](O)CCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1CCC[C@@H](O)[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1CCC[C@@H](O)[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1CCC[C@H](O)[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1CCC[C@H](O)[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1C[C@@H](O)CC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1C[C@H](O)CC[C@@H]1C#N |r|
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2CCCC[C@H]2C#N)cc1 |r|
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2CCCCC2C#N)cc1
NC(=O)c1cn(nc1Nc1ccc(CC(O)=O)cc1)[C@H]1CCCC[C@H]1[N+]#[C-] |r|
NC(=O)c1cn(nc1Nc1ccc(CC(O)=O)cc1)[C@H]1CCCC[C@@H]1[N+]#[C-] |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1CC[C@H](O)C[C@@H]1C#N |r|
CN(C)[C@H]1CC[C@H](C#N)[C@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CN(C)[C@@H]1CC[C@H](C#N)[C@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CN[C@@H]1CC[C@H](C#N)[C@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1C[C@H](CC[C@@H]1C#N)NCc1ccccc1 |r|
CN[C@H]1CC[C@H](C#N)[C@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1C[C@@H](CC[C@@H]1C#N)NCc1ccccc1 |r|
CC(C)(C)OC(=O)[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
COC(=O)[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1CCC(CO)C[C@H]1C#N |r|
NCC1CCC([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CN(C)CC1CCC([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC1(C)CC[C@@H](C#N)[C@H](C1)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
CC1(C)CC[C@H](C#N)[C@H](C1)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
CC(C)(C)OC(=O)NC1CC[C@H](C#N)C(C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC(C)(C)OC(=O)NC1CC[C@@H](C#N)C(C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC1CCC(C#N)C(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1CCC2(CC2)C[C@H]1C#N |r|
CC(C)(C)OC(=O)NCC1CC[C@@H](C#N)[C@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC(C)(C)OC(=O)NCC1CC[C@H](C#N)[C@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC(C)(C)OC(=O)C1CC[C@H](C#N)C(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
CC(C)(C)OC(=O)C1CC[C@@H](C#N)C(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@H](O)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1CCCC[C@@H]1C#N |r|
CC(C)(C)OC(=O)C1CCC(C(C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1
NC(=O)c1cn(nc1Nc1ccnc(c1)C(F)(F)F)[C@H]1CCCC[C@@H]1C#N |r|
CNC(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C#N)[C@H]1CCCC[C@@H]1C#N |r|
Cc1noc(n1)-c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccnc(Cl)c1)[C@H]1CCCC[C@@H]1C#N |r|
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2CCCC[C@@H]2C#N)cc1F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1CCCC[C@@H]1C#N |r|
CCS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2CCCC[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc2NC(=O)CCc2c1)C1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)CC(F)(F)F)C1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1cccnc1)[C@H]1CCCC[C@@H]1C#N |r|
CNC(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C#N)[C@H]1CCCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(c(CO)c1)S(=O)(=O)C(F)(F)F)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)nc1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc2C(=O)N(CC(F)(F)F)Cc2c1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc2C(=O)N(CC(F)(F)F)Cc2c1)[C@@H]1CCCC[C@H]1C#N |r|
Cn1cc(cn1)-c1cc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)ccn1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)nc1)[C@@H]1CCCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)nc1)[C@H]1CCCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(C=O)cc1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Br)cc1)[C@H]1CCCC[C@@H]1C#N |r|
CC(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
CC(C)([C@H](O)C(F)(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@@H]2CCCC[C@H]2C#N)cc1 |r|
CC(C)([C@H](O)C(F)(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
CC(C)([C@@H](O)C(F)(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@@H]2CCCC[C@H]2C#N)cc1 |r|
CC(C)([C@@H](O)C(F)(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
CC(C)([C@H](O)C(F)(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1F |r|
CC(C)([C@@H](O)C(F)(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1F |r|
C[C@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cn1)C(F)(F)F |r|
C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cn1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)[C@H](O)C(F)F)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)[C@@H](O)C(F)F)[C@H]1CCCC[C@@H]1C#N |r|
C[C@@](O)(C(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cn1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1cnc2cc(F)ccc2c1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)nc1)[C@H]1CCCC[C@@H]1C#N |r|
CC(C)(C(O)=O)c1ccc(Nc2nn(cc2C(N)=O)[C@@H]2CCCC[C@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)nc1)[C@@H]1CCCC[C@H]1C#N |r|
NCc1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)[C@@H](O)C(F)(F)F)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1cncc(Cl)c1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1cnc2ccc(F)cc2c1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)[C@H](O)C(F)(F)F)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1cc(F)cc(Cl)c1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(F)c1)[C@H]1CCCC[C@@H]1C#N |r|
CC(C)(C(O)=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccnnc1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)F)[C@@H]1CCCC[C@H]1C#N |r|
CC(C)(C(=O)NCC(F)(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)F)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1cnc2ccc(Cl)cc2c1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1cnc2cc(Cl)ccc2c1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc2c(c1)C(O)CS2(=O)=O)C1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc2c(C=CS2(=O)=O)c1)C1CCCC[C@@H]1C#N |r,c:15|
NC(=O)c1cn(nc1Nc1ccc(c(CO)c1)S(=O)(=O)C(F)F)C1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)CF)C1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)NCC1CC1)[C@@H]1CCCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)[C@@H]1CCCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)NCCN1CCOCC1)[C@@H]1CCCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1C#N |r|
COC(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cn1 |r|
CC(C)(C)NC(=O)c1cncc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)c1 |r|
COC(=O)c1cncc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)c1 |r|
Cc1cncc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)c1 |r|
NC(=O)c1cn(nc1Nc1cncc(c1)C#N)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C#N)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1cnc2C(=O)NCc2c1)[C@H]1CCCC[C@@H]1C#N |r|
Cc1cc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cnc1C#N |r|
COC(=O)c1ncc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1C |r|
NC(=O)c1cn(nc1Nc1cnc(C#N)c(F)c1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C1CC1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)Nc1ccncc1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)NC1CCCCC1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)NCc1cccnc1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)NCc1ccccn1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)NCc1ccncc1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)NCCN1CCCC1)[C@H]1CCCC[C@@H]1C#N |r|
Cc1cccc(C)c1NS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)NCc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1Cl)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)OCCO2)[C@H]1CCCC[C@@H]1C#N |r|
CC(C)NS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)Nc1ccc2cccnc2c1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(F)(F)F)[C@H]1CCCC[C@@H]1C#N |r|
COc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
COCCNS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)c(F)c1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)(F)F)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)F)nc1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCC[C@@H]1C#N |r|
C[C@@]1(CC[C@H](O)C[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N |r|
C[C@@]1(CC[C@H](F)C[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N |r|
C[C@@]1(CC[C@@H](F)C[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N |r|
NC(=O)c1cn(nc1Nc1ccc2c(CCS2(=O)=O)c1)C1CCCC[C@@H]1C#N |r|
Cn1cc(cn1)-c1cncc(Nc2nn(cc2C(N)=O)C2CCCC[C@@H]2C#N)c1 |r|
Cn1cc(cn1)-c1ccc(Nc2nn(cc2C(N)=O)C2CCCC[C@@H]2C#N)cn1 |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)-c1cn[nH]c1)C1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1CCC(F)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@H]1C(F)CCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@H]1C(F)CCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC[C@@H](O)C[C@@H]1[N+]#[C-] |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)F)nc1)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)F)nc1)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(F)c1)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C#N)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
C[C@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](O)C[C@@H]2C#N)cc1)C(F)(F)F |r|
CC(C)(CF)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](O)C[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
COC(C)(C)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](O)C[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)nc1)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C1CC1)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)F)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](O)C[C@@H]2C#N)cc1)C(F)(F)F |r|
CC1(COC1)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](O)C[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(c(F)c1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](O)C[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@@H]1CC[C@H](C[C@H]1[N+]#[C-])OCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@@H]1CC[C@H](C[C@@H]1[N+]#[C-])OCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1CC[C@H](C[C@H]1[N+]#[C-])OCC1CC1 |r|
[C-]#[N+]C1=CCC[C@H](C1)OCC1CC1 |r,t:2|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)OCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)OCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)OCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)OCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)OCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CC[C@@H](C[C@H]1C#N)OCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CC[C@@H](C[C@@H]1C#N)OCC1CC1 |r|
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CN[C@@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CN[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CCNC1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
CNC1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
CN(C)[C@@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
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CN[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CCC(C[C@@H]1C#N)NC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CC[C@@H](C[C@@H]1C#N)NCC(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1CC[C@@H](C[C@@H]1C#N)NCC(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CC[C@@H](C[C@@H]1C#N)N1CCOCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CC[C@@H](C[C@@H]1C#N)NCC(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CCC(C[C@@H]1C#N)NCCO |r|
COCCN[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1[N+]#[C-])N1CCC1 |r|
NC(=O)c1cn(cc1Nc1ccc(OC(F)F)nc1)[C@H]1CC[C@@H](C[C@@H]1[N+]#[C-])N1CCC1 |r|
NC(=O)c1cn(cc1Nc1ccc(OC(F)F)nc1)[C@H]1CC[C@H](C[C@@H]1[N+]#[C-])N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
CC(C)(C)N[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CN([C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1)C(C)(C)C |r|
CC(C)(O)C1CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
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NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
CN(C)[C@H]1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(OC(F)F)nc2)n1 |r|
C[C@H](N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(OC(F)F)nc2)n1)C1CC1 |r|
CN(C)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(OC(F)F)nc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1C[C@H]2[C@H](CO)[C@H]2C1 |r|
CC1(CN[C@@H]2CC[C@@H]([C@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(cc3)C(F)(F)F)n2)COC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CC2(CCC2)C1 |r|
CN(C)[C@@H]1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(nc2)C(F)(F)F)n1 |r|
C[C@H](N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(nc2)C(F)(F)F)n1)C1CC1 |r|
C[C@H]1C[C@H](C)N1[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
C[C@H]1C[C@H](C)N1[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(nc2)C(F)(F)F)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC1(O)CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CC2(CCC2)C1 |r|
CN(C)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(nc2)C(F)(F)F)n1 |r|
CC1(CN[C@H]2CC[C@@H]([C@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(cc3)C(F)(F)F)n2)COC1 |r|
CN(C)[C@H]1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(nc2)C(F)(F)F)n1 |r|
CC(C)(O)C1CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
C[C@@H]1C[C@@H](C)N1[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CN(C)[C@@H]1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(OC(F)F)nc2)n1 |r|
C[C@H](N[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(OC(F)F)nc2)n1)C1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1C[C@H]2[C@H](CO)[C@H]2C1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)NCC1(O)CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(F)c1)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(F)c1)[C@H]1CC[C@H](C[C@@H]1C#N)N1CCC1 |r|
CN(C)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1 |r|
CN[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1 |r|
CN[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1 |r|
CN[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CN[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1 |r|
CC1(C)CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)[C@H](O)C(F)(F)F)n1 |r|
C[C@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CC(C)(C)C2)cc1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
C[C@H](N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1)C1CC1 |r|
C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](C[C@@H]2C#N)N2CCC2)cc1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CC2(CCC2)C1 |r|
CC(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)[C@H](O)C(F)(F)F)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(CC(F)(F)F)cc1)[C@H]1CC[C@H](C[C@@H]1C#N)N1CCC1 |r|
CN(C)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(OC(F)(F)F)cc2)n1 |r|
C[C@H](N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(OC(F)(F)F)cc2)n1)C1CC1 |r|
C[C@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CCC2)cc1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CC2(CCC2)C1 |r|
CC1(C)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)[C@@H](O)C(F)(F)F)n1 |r|
C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CC(C)(C)C2)cc1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(F)c(Cl)c1)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(C=O)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](C[C@@H]2C#N)N2CC(C)(C)C2)cc1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(CC(F)(F)F)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC[C@H](C[C@@H]1C#N)N1CCC1 |r|
C[C@H](N[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1)C1CC1 |r|
CC(C)(C(O)=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCC(C[C@@H]2C#N)N2CCC2)cc1 |r|
CC(C)(C(O)=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCC(C[C@@H]2C#N)N2CC3(CCC3)C2)cc1 |r|
C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CCC2)cc1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(CC(F)(F)F)cc1)[C@H]1CC[C@H](C[C@@H]1C#N)NC1COC1 |r|
C[C@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](C[C@@H]2C#N)N2CCC2)cc1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(CC(F)(F)F)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)NC1COC1 |r|
CC(C)(C(O)=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CCC2)cc1 |r|
CC1(C)CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)[C@@H](O)C(F)(F)F)n1 |r|
CC(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CCC2)cc1 |r|
CC(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](C[C@@H]2C#N)N2CCC2)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CCC1 |r|
CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(OC(F)(F)F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CC2(CCC2)C1 |r|
C[C@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](C[C@@H]2C#N)N2CC(C)(C)C2)cc1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(F)c1)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC(F)F |r|
C[C@H](N[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(OC(F)(F)F)cc2)n1)C1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CC2(CCC2)C1 |r|
CC1(C)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)[C@H](O)C(F)(F)F)n1 |r|
CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CN(C)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(OC(F)F)cc2)n1 |r|
CC1CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1CC[C@@H](C[C@@H]1C#N)NCc1ccccc1 |r|
C[C@H](N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1)C1CC1 |r|
COC1CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1CC[C@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(OC(F)F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CC(F)C1 |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1CC[C@H](C[C@@H]1C#N)NCC(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CC(F)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CC(F)C1 |r|
CN(CC(F)F)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C#N)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC(F)F |r|
CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
C[C@H](N[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1)C1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CC2(COC2)C1 |r|
CC1CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)[C@H]1CCC(C[C@@H]1C#N)NCC(F)F |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1CC[C@H](C[C@@H]1C#N)NCc1ccccc1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CC2(COC2)C1 |r|
CN(C)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC(F)F |r|
CN(C)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |r|
CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |r|
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](C[C@@H]2C#N)N2CC3(CCC3)C2)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CC2(CCC2)C1 |r|
CC1(C)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |r|
CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CC2(CCC2)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)NC1CC1 |r|
CC1(C)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)NC1CC1 |r|
CC1CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
CC1(C)CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1CC[C@H](C[C@@H]1C#N)N1CC2(CCC2)C1 |r|
CC1(C)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CC3(CCC3)C2)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC11COC1 |r|
COC1CN(C1)C1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
CS(=O)(=O)CCNC1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
COCCN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CC(O)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CC(O)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CCC(C[C@@H]1C#N)NCC1CCS(=O)(=O)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CCC(C[C@@H]1C#N)NC1CCS(=O)(=O)C1 |r|
CN(C)S(=O)(=O)CCNC1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CCC(C[C@@H]1C#N)NC1COC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CCC(C[C@@H]1C#N)N1CCC[C@@H]1CF |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CCC(C[C@@H]1C#N)N1CCC[C@H]1CF |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CCC(C[C@@H]1C#N)N1CC[C@H](F)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CCC(C[C@@H]1C#N)N1CC[C@@H](F)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CCC(C[C@@H]1C#N)NCC(O)=O |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CCC(C[C@@H]1C#N)NC(C1CC1)C1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)NCCC(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)NCCC(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CCC1 |r|
CN(CCC(F)(F)F)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
CN(CCC(F)(F)F)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)NCC1CC1 |r|
CC(C)N[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
CC(C)N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
CC(N[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1)C1CC1 |r|
CC(N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1)C1CC1 |r|
CN(C(C1CC1)C1CC1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
CN(C(C1CC1)C1CC1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)NC(C1CC1)C1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CCC(C[C@@H]1C#N)N(C1CC1)C1CC1 |r|
C[C@@H](N[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1)C1CC1 |r|
C[C@@H](N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1)C1CC1 |r|
C[C@H](N[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1)C1CC1 |r|
C[C@H](N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1)C1CC1 |r|
CC1CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
CC1CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CN(C)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
C[C@H](N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1)C1CC1 |r|
C[C@H](NC1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1)C1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N[C@H](C1CC1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N[C@H](C1CC1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N[C@@H](C1CC1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N[C@@H](C1CC1)C(F)(F)F |r|
CC1(C)CCN1[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CC1(C)CCN1[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CC1(O)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CC1(O)CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CC(O)(C1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CC(O)(C1)C(F)(F)F |r|
CC1(C)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CC1(C)CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)(C)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CC1(CC1)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CC1(CC1)N[C@@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CC1(COC1)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CC(C)(NC1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1)C1CC1 |r|
CC(C)(N[C@@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1)C1CC1 |r|
CC(C)(CO)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CC(C)(O)C1CN(C1)[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CC(C)(O)C1CN(C1)[C@@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)C1CC[C@@H](C[C@@H]1C#N)N1CC(O)(C1)C(F)(F)F |r|
CC(C)(N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccccc2)n1)C1CC1 |r|
CC(C)(C)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
CC1(CC1)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
CC1(CN[C@H]2CCC([C@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)COC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)C1CC[C@@H](C[C@@H]1C#N)NC1CCOCC1 |r|
CN(CC1(C)COC1)[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)C1CC[C@H](C[C@@H]1C#N)NC1(O)CC1 |r|
CC(C)(O)CN[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
COCC(C)(C)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)C1CC[C@@H](C[C@@H]1C#N)NC1(CO)CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@H](C[C@@H]1C#N)NCC(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)NC1(CC1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@H](C[C@@H]1C#N)NC1(CC1)C(F)(F)F |r|
COC(C)(C)CN[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CN([C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1)C(C)(C)C1CC1 |r|
CC1(COC1)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
COCC(C)(C)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
CN([C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1)C1(C)COC1 |r|
CN(CC(F)(F)F)[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |r|
COCC(C)(C)N(C)[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CC1(CCOCC1)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
COCCN[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
COCC(C)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
COCCN(C)[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
COCC(C)N(C)[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1CC[C@H]([NH3+])C[C@@H]1C#N |r|
CN(C1COC1)[C@H]1CC[C@H]([C@@H](C1)[N+]#[C-])n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CN(CC1CC1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)(O)C1CC(CN[C@H]2CC[C@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(cc3)C(F)(F)F)n2)C1 |r,wU:13.15,wD:9.8,12.17,(-8.57,-5.64,;-7.8,-4.31,;-8.57,-2.98,;-9.34,-4.31,;-6.26,-4.31,;-5.17,-3.22,;-4.08,-4.31,;-2.54,-4.31,;-1.77,-2.98,;-.23,-2.98,;.54,-4.31,;2.08,-4.31,;2.85,-2.98,;2.08,-1.64,;.54,-1.64,;2.85,-.31,;3.62,1.03,;4.39,-2.98,;5.3,-4.22,;6.76,-3.75,;7.85,-4.83,;9.34,-4.44,;7.45,-6.32,;6.76,-2.21,;7.85,-1.12,;7.45,.37,;8.54,1.46,;8.14,2.95,;6.65,3.35,;5.56,2.26,;5.96,.77,;6.26,4.83,;7.34,5.92,;4.77,5.23,;5.86,6.32,;5.3,-1.73,;-5.17,-5.4,)|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@@H](C[C@H]1C#N)NC1CC2(C1)CCCC2 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N(CC1CC1)C1CCC1 |r|
CC(C)CN[C@H]1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CN(C1CCC1)[C@H]1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)CN(CC1CC1)[C@H]1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@@H](C[C@H]1C#N)N(CC1CC1)C1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N(CC1CC1)C1COC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)NCc1c(F)cccc1F |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)NC1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N(CC1CC1)CC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@@H](C[C@H]1C#N)NCC1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@@H](C[C@H]1C#N)NC1COC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@@H](C[C@H]1C#N)NC1CCC1 |r|
C[N+]1(CCC1)[C@H]1CC[C@@H]([C@H](C1)[N+]#[C-])n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
C[N+]1(CCC1)C1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CC[N+]1(CCC1)C1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CC1(C)C[N+](C)(C1)C1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CCC(C[C@@H]1C#N)[N+]1(CC2CC2)CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(F)c1)[C@H]1CC[C@@](O)(C[C@@H]1[N+]#[C-])C1CC1 |r|
CC(C)(C(O)C(F)(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@](C)(O)C[C@@H]2C#N)cc1 |r|
CC(C)(C(O)C(F)(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@](C)(O)C[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@](O)(C[C@@H]1C#N)C=C |r|
C[C@@]1(O)CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1 |r|
C[C@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@](C)(O)C[C@@H]2C#N)cc1)C(F)(F)F |r|
C[C@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@](C)(O)C[C@@H]2C#N)cc1)C(F)(F)F |r|
C[C@]1(O)CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@](C)(O)C[C@@H]2C#N)cc1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@](O)(C[C@@H]1C#N)C1CC1 |r|
C[C@@]1(O)CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@](O)(C[C@@H]1C#N)C1CC1 |r|
C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@](C)(O)C[C@@H]2C#N)cc1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@](O)(C[C@@H]1C#N)C=C |r|
C[C@]1(O)CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(F)c1)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C#N)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)F)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)(F)F)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
C[C@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](O)C[C@@H]2C#N)cc1)C(F)(F)F |r|
C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](O)C[C@@H]2C#N)cc1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)nc1)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
CC(C)(C(O)C(F)(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](O)C[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C1CC1)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
CC1(COC1)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](O)C[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
CC(C)(CF)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](O)C[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1CC[C@@H](C[C@@H]1C#N)OC(=O)Nc1ccccc1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1CC[C@@H](C[C@@H]1C#N)OC(=O)NC1CCCCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1CC[C@H](C[C@@H]1C#N)OC(=O)Nc1ccccc1 |r|
CC(C)NC(=O)O[C@@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1CC[C@H](C[C@@H]1C#N)OC(=O)NC1CCCCC1 |r|
CNC(=O)O[C@@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CCNC(=O)O[C@@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC(C)NC(=O)O[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CNC(=O)O[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC1(C)CN(C1)C(=O)[C@H]1CC[C@@H]([C@H](C1)[N+]#[C-])n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CC1(C)CN(C1)C(=O)[C@@H]1CC[C@H]([C@@H](C1)[N+]#[C-])n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CC(C)(O)C1CN(C1)C(=O)[C@@H]1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[C@H]1C#N)C(=O)N1CC2(CCC2)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[C@H]1C#N)C(=O)NC(C1CC1)C1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)C(=O)N1CC(F)(F)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)C(=O)NC1COC1 |r|
CS(=O)(=O)C1CN(C1)C(=O)[C@@H]1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CC(C)(O)C1CN(C1)C(=O)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)C1CC[C@H](C[C@H]1C#N)C(=O)NCC(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[C@H]1C#N)C(=O)NC1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)C(=O)NC1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[C@H]1C#N)C(=O)NC1COC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)C(=O)N[C@H](C1CC1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[C@H]1C#N)C(=O)N1CC(F)(F)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[C@H]1C#N)C(=O)N[C@@H](C1CC1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)C(=O)N1CC2(CCC2)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[C@H]1C#N)C(=O)NC1CC(F)(F)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[C@H]1C#N)C(=O)NC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)C(=O)NC1CC(F)(F)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)C(=O)NC(C1CC1)C1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)C(=O)NCC(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)C(=O)NC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)C(=O)N[C@@H](C1CC1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[C@H]1C#N)C(=O)N[C@H](C1CC1)C(F)(F)F |r|
CS(=O)(=O)C1CN(C1)C(=O)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CC1(O)CN(C1)C(=O)[C@@H]1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)C(=O)N1CCC(F)(F)C1 |r|
CC1(CNC(=O)[C@@H]2CC[C@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)COC1 |r|
CC1(O)CN(C1)C(=O)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CC1(CNC(=O)[C@H]2CC[C@@H]([C@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)COC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[C@H]1C#N)C(=O)N1CCC(F)(F)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[C@H]1C#N)C(=O)N1CC(F)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)C(=O)N1CC(F)C1 |r|
CC(C)(C)NC(=O)[C@@H]1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[C@H]1C#N)C(=O)N1CC2(COC2)C1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[C@@H]1C#N)C(=O)N1CC2(COC2)C1 |r|
CC(C)(O)[C@H]1CC[C@@H]([C@H](C1)[N+]#[C-])n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1CC[C@H](CF)C[C@@H]1[N+]#[C-] |r|
CS(=O)(=O)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CS(=O)(=O)N[C@@H]1CCC([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CS(=O)(=O)N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CS(=O)(=O)N[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
CN([C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1)S(C)(=O)=O |r|
CN([C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1)S(C)(=O)=O |r|
CO\N=C\c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2[N+]#[C-])cc1 |r|
CO\N=C(/C)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2[N+]#[C-])cc1 |r|
CC(=O)O[C@H]1C[C@H]([N+]#[C-])[C@H](C[C@@H]1O)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1 |r|
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@@H]2C#N)cc1 |r|
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CCCC[C@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CCCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)[C@@H]1CCCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)CC(F)(F)F)C1CCCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CC[C@@H](O)C[C@@H]1C#N |r|
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C#N)C(C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1CC2(CC[C@@H]1C#N)OCCO2 |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@H]1CC2(CC[C@@H]1C#N)OCCO2 |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@@H]1CC2(CC[C@@H]1C#N)OCCO2 |r|
NC(=O)c1cn(nc1Nc1ccc2c(CCS2(=O)=O)c1)[C@@H]1CCCC[C@H]1C#N |r|
CNC(=O)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cc(ccn3)C(F)(F)F)ccc2Cl)cc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(nc3)C(=O)NC3CC3)ncc2C1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(CCc3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1
NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1ccc(F)cc1
NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cncc(F)c1
Cn1nccc1-c1cc2c(NC3CCOCC3)c(cnn2c1)C(N)=O
NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cccnc1
NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cncnc1
NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1ccccc1C#N
NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1ccccc1F
NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cnc2ccccc2c1
CC1(F)COCC1Nc1c(cnn2cc(cc12)N1CCCC1=O)C(N)=O
CS(=O)(=O)N1CCC[C@@H](C1)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O
NC(=O)c1cnn2cc(cc2c1N[C@@H]1CCCNC1)-c1ccccc1
CCOC(=O)N1CCC[C@H](C1)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O
COc1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)C(=O)CC#N)c(cnn2c1)C(N)=O
COc1ccc(cn1)-c1cc2c(N[C@H]3CN(C[C@H]3C)C(=O)CC#N)c(cnn2c1)C(N)=O
COc1ccc(cn1)-c1cc2c(N[C@@H]3CCN(CC3(C)C)C(=O)C(N)=O)c(cnn2c1)C(N)=O
COc1ccc(cn1)-c1cc2c(N[C@H]3CCN(CC3(C)C)C(=O)[C@H](C)O)c(cnn2c1)C(N)=O
C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)S(C)(=O)=O)Nc1c(cnn2cc(cc12)-c1cnc(N)nc1)C(N)=O
C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)S(C)(=O)=O)Nc1c(cnn2cc(cc12)N1CCN(C(C)=O)C1=O)C(N)=O
C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)CO)Nc1c(cnn2cc(cc12)-c1ccc(cc1)C(N)=O)C(N)=O
C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)C(C)(C)O)Nc1c(cnn2cc(cc12)-c1cnc(N)nc1)C(N)=O
CNC(=O)c1ccc(cn1)-c1cc2c(N[C@@H]3C[C@@H]4CN(C[C@@H]4[C@H]3C)C(=O)C(C)(C)O)c(cnn2c1)C(N)=O
C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)S(C)(=O)=O)Nc1c(cnn2cc(cc12)-c1nnn(C)n1)C(N)=O
C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)CF)Nc1c(cnn2cc(cc12)-c1cnc(N)c(F)c1)C(N)=O
C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)CO)Nc1c(cnn2cc(cc12)-c1ccc(cc1)C(=O)NC1CC1)C(N)=O
C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)C(C)(C)O)Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O
CCC(=O)N1C[C@H]2C[C@@H](Nc3c(cnn4cc(cc34)-c3ccc(F)nc3)C(N)=O)[C@H](C)[C@H]2C1
CC1(C)CN(CC[C@H]1Nc1c(cnn2cc(cc12)N1CC[C@@H](O)C1=O)C(N)=O)c1ccc(cn1)C#N
CC1(C)CN(CC[C@H]1Nc1c(cnn2cc(cc12)N1CC(CC1=O)c1ccccc1)C(N)=O)c1ccc(cn1)C#N
CC1(C)CN(CC[C@H]1Nc1c(cnn2cc(cc12)N1CCC(CCCC([O-])=O)C1=O)C(N)=O)c1ncc(cn1)C#N
CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CCC#N)c1)C(N)=O)S(C)(=O)=O
CC[C@H](O)C(=O)N1CC[C@@H](Nc2c(cnn3cc(cc23)-c2cnn(C)c2)C(N)=O)[C@H](CC)C1
CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(C)c1)C(N)=O)C(=O)C(C)(C)O
CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(OC)c1)C(N)=O)C(=O)[C@H](C)O
CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(C)C)c1)C(N)=O)C(=O)[C@H](C)O
CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)C(=O)CC(F)(F)F
CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)C(=O)[C@@H](C)O
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(=O)n(C)c1)C(N)=O)c1ccc(cn1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)c1ccc(cn1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)c1ncc(s1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(C)C)c1)C(N)=O)c1ncc(s1)C#N
C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(=O)N2CC(F)(F)C2)c1)C(N)=O)c1ccc(cn1)C#N
C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(=O)N2CCC(F)(F)C2)c1)C(N)=O)c1ccc(cn1)C#N
CNC(=O)Cn1cc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)c3ccc(Cl)cn3)c(cnn2c1)C(N)=O
C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(F)nc1)C(N)=O)C(=O)CC#N
C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(F)c1)C(N)=O)C(=O)CC#N
CNC(=O)c1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)C(=O)OC)c(cnn2c1)C(N)=O
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cn(C)nc1C)C(N)=O)C(=O)C1(CC1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(C)nc1)C(N)=O)C(=O)C1(CC1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(C)C)c1)C(N)=O)S(C)(=O)=O
CCNC(=O)c1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3CC)C(=O)C(C)(C)C#N)c(cnn2c1)C(N)=O
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(Cl)c1)C(N)=O)C(=O)C1(CCC1)C#N
CS(=O)(=O)N1C[C@H](CF)[C@@H](C1)Nc1c(cnn2cc(cc12)-c1ccc(nc1)C(F)(F)F)C(N)=O
COc1ncc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c(cnn2c1)C(N)=O
CCOc1ncc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c(cnn2c1)C(N)=O
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cc(C)no1)C(N)=O)C(=O)OC(C)(C)C
CNC(=O)c1cccc(c1)-c1cc2c(N[C@@H]3CN(C[C@@H]3OC)C(=O)C3(CC3)C#N)c(cnn2c1)C(N)=O
CO[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(F)cc1)C(N)=O)C(=O)C1(CC1)C#N
CO[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(cc1)C#N)C(N)=O)C(=O)C1(CC1)C#N
CO[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(OC)nc1)C(N)=O)S(C)(=O)=O
Fc1cccc(c1)-c1cnccc1NC(=O)c1cnn2cccnc12
Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cc(Cl)ccc1C
Clc1ccc(=O)n(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccccc1Br
COc1ccc(Cl)cc1-c1c(NC(=O)c2c(N)nn3cccnc23)cnn1CC(N)=O |(1.54,-5.36,;.77,-4.03,;1.54,-2.7,;3.08,-2.7,;3.85,-1.36,;3.08,-.03,;3.85,1.31,;1.54,-.03,;.77,-1.36,;-.77,-1.36,;-1.67,-.12,;-.9,1.22,;-1.67,2.55,;-3.16,2.15,;-.9,3.89,;-1.81,5.13,;-3.35,5.13,;-.9,6.38,;.56,5.9,;1.89,6.67,;3.23,5.9,;3.23,4.36,;1.89,3.59,;.56,4.36,;-3.14,-.59,;-3.14,-2.13,;-1.67,-2.61,;-1.28,-4.09,;-2.36,-5.18,;-1.97,-6.67,;-3.85,-4.79,)|
CC1CCCCN1c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12
COc1ncc(cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12)C#N
COc1ccc(cc1-c1nn(Cc2nncn2C)cc1NC(=O)c1cnn2cccnc12)C#N
COc1ccc(F)cc1-c1nn(CC2(O)CCOCC2)cc1NC(=O)c1cnn2cccnc12
COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCCC2C)cc1NC(=O)c1cnn2cccnc12
COc1ccc(cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12)C#N
COc1ccc(Cl)cc1-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12
COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC=CC2)cc1NC(=O)c1cnn2cccnc12 |c:19|
COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12
COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12
CCOc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)[C@H]1CCCC[C@@H]1O |r|
COc1cnc(cc1-c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12)C(F)(F)F
Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cc(Cl)ccc1Cl
Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cc(ccc1C)C#N
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1Cl
Clc1ccccc1-n1nccc1NC(=O)c1cnn2cccnc12
Clc1ccc(cc1)-n1nccc1NC(=O)c1cnn2cccnc12
COc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CCO |(1.2,-5.39,;.43,-4.06,;1.2,-2.73,;2.74,-2.73,;3.51,-1.39,;2.74,-.06,;3.51,1.27,;1.2,-.06,;.43,-1.39,;-1.11,-1.39,;-2.02,-.15,;-1.25,1.19,;-2.02,2.52,;-3.51,2.12,;-1.25,3.85,;-2.15,5.1,;-1.25,6.35,;.22,5.87,;1.55,6.64,;2.88,5.87,;2.88,4.33,;1.55,3.56,;.22,4.33,;-3.48,-.62,;-3.48,-2.16,;-2.02,-2.64,;-1.25,-3.97,;-2.02,-5.31,;-1.25,-6.64,)|
O=C(Nc1c[nH]nc1N1CCC(CC1)C#N)c1cnn2cccnc12
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)|
CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2
CC(C)CS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(5.44,2.67,;3.95,2.27,;3.55,.79,;2.86,3.36,;1.37,2.96,;1.37,4.5,;-.11,3.36,;.97,1.48,;-.51,1.08,;-1.85,1.85,;-2.62,.51,;-1.28,-.26,;-4.1,.12,;-5.19,1.2,;-4.1,-1.42,;-5.44,-2.19,;-5.44,-3.73,;-4.1,-4.5,;-2.77,-3.73,;-1.31,-4.21,;-.4,-2.96,;-1.31,-1.72,;-2.77,-2.19,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@H]1C[C@H](CC#N)C1)c1ncnc2[nH]ccc12 |r,wU:10.10,wD:2.1,4.6,12.13,(-5.36,3.28,;-4.28,2.19,;-2.79,2.59,;-2.02,3.92,;-.68,3.15,;-1.45,1.82,;.8,3.55,;1.89,2.46,;3.38,2.86,;1.49,.97,;2.98,1.37,;4.52,1.37,;4.52,-.17,;5.61,-1.26,;4.84,-2.59,;4.07,-3.92,;2.98,-.17,;-4.28,.65,;-5.61,-.12,;-5.61,-1.66,;-4.28,-2.43,;-2.94,-1.66,;-1.48,-2.14,;-.57,-.89,;-1.48,.36,;-2.94,-.12,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@@H]1C[C@H](CC#N)C1)c1ncnc2[nH]ccc12 |r,wU:10.10,12.13,wD:2.1,4.6,(-5.89,1.48,;-4.55,.71,;-3.22,1.48,;-2.82,2.97,;-1.33,2.57,;-1.73,1.09,;,3.34,;1.33,2.57,;.56,1.24,;2.1,3.91,;2.67,1.8,;3.07,.32,;4.55,.71,;5.89,-.06,;5.89,-1.6,;5.89,-3.14,;4.15,2.2,;-4.55,-.83,;-5.89,-1.6,;-5.89,-3.14,;-4.55,-3.91,;-3.22,-3.14,;-1.76,-3.61,;-.85,-2.37,;-1.76,-1.12,;-3.22,-1.6,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1(CC#N)COC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.26,.84,;-4.93,.07,;-3.59,.84,;-3.59,2.38,;-2.05,2.38,;-2.05,.84,;-.96,3.47,;.52,3.07,;.92,4.55,;.13,1.58,;2.01,2.67,;2.41,1.18,;3.18,2.51,;4.72,2.51,;6.26,2.51,;1.32,.09,;2.41,-1,;3.5,.09,;-4.93,-1.47,;-6.26,-2.24,;-6.26,-3.78,;-4.93,-4.55,;-3.59,-3.78,;-2.13,-4.26,;-1.22,-3.01,;-2.13,-1.77,;-3.59,-2.24,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1COC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.89,1.77,;-4.55,1,;-3.22,1.77,;-2.82,3.25,;-1.33,2.85,;-1.73,1.37,;,3.62,;1.33,2.85,;.24,1.77,;2.42,1.77,;2.67,3.62,;4,2.85,;4.4,1.37,;5.89,1.77,;5.49,3.25,;-4.55,-.54,;-5.89,-1.31,;-5.89,-2.85,;-4.55,-3.62,;-3.22,-2.85,;-1.76,-3.33,;-.85,-2.08,;-1.76,-.84,;-3.22,-1.31,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@H]1C[C@@](C)(CC#N)C1)c1ncnc2[nH]ccc12 |r,wU:12.13,wD:2.1,4.6,10.10,12.14,(-5.89,1.48,;-4.55,.71,;-3.22,1.48,;-2.82,2.97,;-1.33,2.57,;-1.73,1.09,;,3.34,;1.33,2.57,;.56,1.24,;2.1,3.91,;2.67,1.8,;3.07,.32,;4.55,.71,;5.89,1.48,;5.89,-.06,;5.89,-1.6,;5.89,-3.14,;4.15,2.2,;-4.55,-.83,;-5.89,-1.6,;-5.89,-3.14,;-4.55,-3.91,;-3.22,-3.14,;-1.76,-3.61,;-.85,-2.37,;-1.76,-1.12,;-3.22,-1.6,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@H]1C[C@](C)(CC#N)C1)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.6,10.10,12.13,(-5.49,3.28,;-4.4,2.19,;-2.91,2.59,;-2.14,3.92,;-.81,3.15,;-1.58,1.82,;.68,3.55,;1.77,2.46,;3.26,2.86,;1.37,.97,;2.86,1.37,;2.86,-.17,;4.4,-.17,;5.73,.6,;5.49,-1.26,;4.72,-2.59,;3.95,-3.92,;4.4,1.37,;-4.4,.65,;-5.73,-.12,;-5.73,-1.66,;-4.4,-2.43,;-3.06,-1.66,;-1.6,-2.14,;-.69,-.89,;-1.6,.36,;-3.06,-.12,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1cc(ccn1)C#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.61,;-4.28,.84,;-2.94,1.61,;-2.55,3.09,;-1.06,2.69,;-1.46,1.21,;.28,3.47,;1.61,2.69,;.52,1.61,;2.7,3.78,;2.94,1.93,;2.94,.38,;4.28,-.38,;5.61,.38,;5.61,1.93,;4.28,2.69,;4.28,-1.92,;4.28,-3.46,;-4.28,-.7,;-5.61,-1.47,;-5.61,-3.01,;-4.28,-3.78,;-2.94,-3.01,;-1.48,-3.49,;-.57,-2.24,;-1.48,-1,;-2.94,-1.47,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1cccc(c1)C(C)(C)O)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.71,-.25,;-5.38,-1.02,;-4.04,-.25,;-4.04,1.29,;-2.5,1.29,;-2.5,-.25,;-1.42,2.38,;.07,1.98,;1.41,1.21,;-.33,.49,;1.16,3.07,;.76,4.55,;1.85,5.64,;3.34,5.24,;3.74,3.76,;2.65,2.67,;5.22,3.36,;6.31,4.45,;6.71,2.96,;5.62,1.87,;-5.38,-2.56,;-6.71,-3.33,;-6.71,-4.87,;-5.38,-5.64,;-4.04,-4.87,;-2.58,-5.35,;-1.67,-4.1,;-2.58,-2.86,;-4.04,-3.33,)|
CN([C@H]1C[C@@H](C1)NS(=O)(=O)CC1CC1)c1ncnc2[nH]ccc12 |r,wU:4.6,wD:2.1,(-5.71,1.77,;-4.38,1,;-3.05,1.77,;-1.56,1.37,;-1.16,2.85,;-2.65,3.25,;.17,3.62,;1.51,2.85,;.74,1.52,;2.6,1.77,;2.84,3.62,;4.17,2.85,;4.94,1.52,;5.71,2.85,;-4.38,-.54,;-5.71,-1.31,;-5.71,-2.85,;-4.38,-3.62,;-3.05,-2.85,;-1.58,-3.33,;-.68,-2.08,;-1.58,-.84,;-3.05,-1.31,)|
CCCS(=O)(=O)N[C@H]1CC[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1CC(F)(F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.73,.84,;-4.4,.07,;-3.06,.84,;-3.06,2.38,;-1.52,2.38,;-1.52,.84,;-.44,3.47,;1.05,3.07,;1.45,4.55,;.65,1.58,;2.54,2.67,;3.31,1.33,;2.91,-.15,;4.4,-.55,;5.73,-1.32,;3.63,-1.89,;4.8,.94,;-4.4,-1.47,;-5.73,-2.24,;-5.73,-3.78,;-4.4,-4.55,;-3.06,-3.78,;-1.6,-4.26,;-.69,-3.01,;-1.6,-1.77,;-3.06,-2.24,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CC(F)(F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.69,.29,;-4.36,-.48,;-3.03,.29,;-2.63,1.78,;-1.14,1.38,;-1.54,-.11,;.19,2.15,;1.53,1.38,;.44,.29,;2.61,.29,;2.61,2.47,;4.15,2.47,;4.15,4.01,;5.69,4.01,;5.24,5.1,;2.61,4.01,;-4.36,-2.02,;-5.69,-2.79,;-5.69,-4.33,;-4.36,-5.1,;-3.03,-4.33,;-1.56,-4.8,;-.66,-3.56,;-1.56,-2.31,;-3.03,-2.79,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.71,1.77,;-4.38,1,;-3.05,1.77,;-2.65,3.25,;-1.16,2.85,;-1.56,1.37,;.17,3.62,;1.51,2.85,;.74,1.52,;2.6,1.77,;2.84,3.62,;4.17,2.85,;4.94,1.52,;5.71,2.85,;-4.38,-.54,;-5.71,-1.31,;-5.71,-2.85,;-4.38,-3.62,;-3.05,-2.85,;-1.58,-3.33,;-.68,-2.08,;-1.58,-.84,;-3.05,-1.31,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CN(C1)C1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.66,1.77,;-5.32,1,;-3.99,1.77,;-3.59,3.25,;-2.1,2.85,;-2.5,1.37,;-.77,3.62,;.56,2.85,;.56,1.31,;1.9,3.62,;1.9,2.08,;2.3,.6,;3.78,1,;3.38,2.48,;5.12,.23,;5.89,-1.11,;6.66,.23,;-5.32,-.54,;-6.66,-1.31,;-6.66,-2.85,;-5.32,-3.62,;-3.99,-2.85,;-2.53,-3.33,;-1.62,-2.08,;-2.53,-.84,;-3.99,-1.31,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)NCC1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.38,1.1,;-5.05,.33,;-3.71,1.1,;-3.32,2.59,;-1.83,2.19,;-2.23,.7,;-.49,2.96,;.84,2.19,;.07,.85,;1.61,.85,;2.17,2.96,;3.51,2.19,;4.84,2.96,;6.38,2.96,;5.61,4.29,;-5.05,-1.21,;-6.38,-1.98,;-6.38,-3.52,;-5.05,-4.29,;-3.71,-3.52,;-2.25,-4,;-1.34,-2.75,;-2.25,-1.51,;-3.71,-1.98,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CC[C@H](C1)C#N)c1ncnc2[nH]ccc12 |r,wU:13.16,wD:2.1,4.6,(-5.47,1.61,;-4.14,.84,;-2.8,1.61,;-2.4,3.09,;-.92,2.69,;-1.32,1.21,;.42,3.47,;1.75,2.69,;.66,1.61,;2.84,3.78,;3.08,1.93,;4.57,2.4,;5.47,1.15,;4.57,-.1,;3.1,.38,;4.96,-1.58,;5.36,-3.07,;-4.14,-.7,;-5.47,-1.47,;-5.47,-3.01,;-4.14,-3.78,;-2.8,-3.01,;-1.34,-3.49,;-.43,-2.24,;-1.34,-1,;-2.8,-1.47,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CC[C@@H](C1)C#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,13.16,(-5.79,1.48,;-4.45,.71,;-3.12,1.48,;-2.72,2.97,;-1.23,2.57,;-1.63,1.09,;.1,3.34,;1.43,2.57,;.66,1.24,;2.2,3.91,;2.77,1.8,;4.25,2.27,;5.15,1.03,;4.25,-.22,;2.78,.26,;5.02,-1.55,;5.79,-2.89,;-4.45,-.83,;-5.79,-1.6,;-5.79,-3.14,;-4.45,-3.91,;-3.12,-3.14,;-1.66,-3.61,;-.75,-2.37,;-1.66,-1.12,;-3.12,-1.6,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1Cc2cn(C)nc2C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.86,-.01,;-5.53,-.78,;-4.19,-.01,;-3.8,1.48,;-2.31,1.08,;-2.71,-.41,;-.97,1.85,;.36,1.08,;-.73,-.01,;1.13,-.26,;1.69,1.85,;3.16,1.37,;4.06,2.62,;5.53,3.09,;5.53,4.63,;6.86,5.4,;4.06,5.11,;3.16,3.86,;1.69,3.39,;-5.53,-2.32,;-6.86,-3.09,;-6.86,-4.63,;-5.53,-5.4,;-4.19,-4.63,;-2.86,-5.4,;-1.53,-4.63,;-1.53,-3.09,;-4.19,-3.09,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1C[C@@H]2C[C@H](C1)O2)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,12.18,14.17,(-5.92,1.22,;-4.58,.45,;-3.25,1.22,;-2.85,2.71,;-1.37,2.31,;-1.76,.82,;-.03,3.08,;1.46,2.68,;1.85,4.17,;.69,1.35,;2.94,2.28,;3.34,.8,;4.83,.4,;4.43,1.88,;5.52,2.97,;4.03,3.37,;5.92,1.49,;-4.58,-1.09,;-5.92,-1.86,;-5.92,-3.4,;-4.58,-4.17,;-3.25,-3.4,;-1.79,-3.87,;-.88,-2.63,;-1.79,-1.38,;-3.25,-1.86,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CC(C1)C#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.55,1.61,;-5.22,.84,;-3.89,1.61,;-3.49,3.09,;-2,2.69,;-2.4,1.21,;-.67,3.47,;.67,2.69,;-.42,1.61,;1.76,3.78,;2,1.93,;2.4,.44,;3.89,.84,;3.49,2.32,;5.22,.07,;6.55,-.7,;-5.22,-.7,;-6.55,-1.47,;-6.55,-3.01,;-5.22,-3.78,;-3.89,-3.01,;-2.42,-3.49,;-1.52,-2.24,;-2.42,-1,;-3.89,-1.47,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CCC(CC1)c1cc[nH]n1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-7.52,1.48,;-6.19,.71,;-4.86,1.48,;-4.46,2.97,;-2.97,2.57,;-3.37,1.09,;-1.64,3.34,;-.3,2.57,;-1.07,1.24,;.47,3.91,;1.03,1.8,;1.03,.26,;2.36,-.51,;3.7,.26,;3.7,1.8,;2.36,2.57,;5.03,-.51,;6.28,.4,;7.52,-.51,;7.05,-1.97,;5.51,-1.97,;-6.19,-.83,;-7.52,-1.6,;-7.52,-3.14,;-6.19,-3.91,;-4.86,-3.14,;-3.39,-3.61,;-2.49,-2.37,;-3.39,-1.12,;-4.86,-1.6,)|
CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1C[C@H]2C[C@]2(C1)C#N)c1ncnc2[nH]ccc12 |r,wU:14.18,wD:2.1,4.6,12.13,(-6.58,1.61,;-5.25,.84,;-3.92,1.61,;-3.52,3.09,;-2.03,2.69,;-2.43,1.21,;-.7,3.47,;.64,2.69,;-.45,1.61,;1.72,3.78,;1.97,1.93,;2.13,.39,;3.64,.07,;5.18,.07,;4.41,1.41,;3.38,2.55,;5.5,2.5,;6.58,3.58,;-5.25,-.7,;-6.58,-1.47,;-6.58,-3.01,;-5.25,-3.78,;-3.92,-3.01,;-2.45,-3.49,;-1.55,-2.24,;-2.45,-1,;-3.92,-1.47,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1C[C@@H]2C[C@@]2(C1)C#N)c1ncnc2[nH]ccc12 |r,wU:12.13,wD:2.1,4.6,14.18,(-6.58,1.48,;-5.25,.71,;-3.92,1.48,;-3.52,2.97,;-2.03,2.57,;-2.43,1.09,;-.7,3.34,;.64,2.57,;-.13,1.24,;1.41,3.91,;1.97,1.8,;2.13,.27,;3.64,-.05,;5.18,-.05,;4.41,1.28,;3.38,2.43,;5.5,2.37,;6.58,3.46,;-5.25,-.83,;-6.58,-1.6,;-6.58,-3.14,;-5.25,-3.91,;-3.92,-3.14,;-2.45,-3.61,;-1.55,-2.37,;-2.45,-1.12,;-3.92,-1.6,)|
CN([C@H]1C[C@@H](C1)NS(=O)(=O)N1CCC(C1)C#N)c1ncnc2[nH]ccc12 |r,w:13.16,wU:4.6,wD:2.1,(-5.78,-.58,;-4.45,-1.35,;-3.11,-.58,;-1.62,-.97,;-1.23,.51,;-2.71,.91,;.11,1.28,;1.44,.51,;.67,-.82,;2.21,-.82,;2.77,1.28,;4.24,.81,;5.14,2.05,;4.24,3.3,;2.77,2.82,;5.01,4.63,;5.78,5.97,;-4.45,-2.89,;-5.78,-3.66,;-5.78,-5.2,;-4.45,-5.97,;-3.11,-5.2,;-1.65,-5.67,;-.74,-4.43,;-1.65,-3.18,;-3.11,-3.66,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(F)(F)CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.79,-.25,;-4.45,-1.02,;-3.12,-.25,;-2.72,1.23,;-1.23,.84,;.1,1.61,;1.43,.84,;.34,-.25,;2.52,-.25,;2.52,1.93,;4.01,1.53,;5.1,2.62,;4.7,4.1,;5.79,5.19,;4.7,5.64,;3.21,4.5,;2.12,3.41,;-1.63,-.65,;-4.45,-2.56,;-5.79,-3.33,;-5.79,-4.87,;-4.45,-5.64,;-3.12,-4.87,;-1.66,-5.35,;-.75,-4.1,;-1.66,-2.86,;-3.12,-3.33,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(O)(CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.8,-.33,;-5.47,-1.1,;-4.14,-.33,;-4.14,1.21,;-2.6,1.21,;-1.51,2.3,;-.17,1.53,;-.94,.19,;.92,.44,;1.16,2.3,;2.49,1.53,;3.83,2.3,;3.83,3.84,;3.83,5.38,;2.49,4.61,;1.16,3.84,;5.32,4.23,;6.4,3.15,;5.71,5.72,;6.8,4.63,;-2.6,-.33,;-5.47,-2.64,;-6.8,-3.41,;-6.8,-4.95,;-5.47,-5.72,;-4.14,-4.95,;-2.67,-5.43,;-1.77,-4.18,;-2.67,-2.94,;-4.14,-3.41,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC[C@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,12.14,(-7.01,1.61,;-5.68,.84,;-4.34,1.61,;-3.94,3.09,;-2.46,2.69,;-1.12,3.47,;.21,2.69,;-.88,1.61,;1.3,3.78,;1.54,1.93,;1.56,.38,;3.03,-.1,;3.93,1.15,;3.03,2.4,;5.47,1.15,;7.01,1.15,;-2.86,1.21,;-5.68,-.7,;-7.01,-1.47,;-7.01,-3.01,;-5.68,-3.78,;-4.34,-3.01,;-2.88,-3.49,;-1.97,-2.24,;-2.88,-1,;-4.34,-1.47,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC[C@@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.4,(-7.01,1.61,;-5.68,.84,;-4.34,1.61,;-3.94,3.09,;-2.46,2.69,;-1.12,3.47,;.21,2.69,;-.88,1.61,;1.3,3.78,;1.54,1.93,;1.56,.38,;3.03,-.1,;3.93,1.15,;3.03,2.4,;5.47,1.15,;7.01,1.15,;-2.86,1.21,;-5.68,-.7,;-7.01,-1.47,;-7.01,-3.01,;-5.68,-3.78,;-4.34,-3.01,;-2.88,-3.49,;-1.97,-2.24,;-2.88,-1,;-4.34,-1.47,)|
CCCCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(5.98,3.24,;4.65,4.01,;3.32,3.24,;1.98,4.01,;.65,3.24,;-.12,1.91,;1.74,2.15,;-.69,4.01,;-1.78,2.92,;-3.32,2.92,;-3.32,1.38,;-1.78,1.38,;-4.65,.61,;-5.98,1.38,;-4.65,-.93,;-5.98,-1.7,;-5.98,-3.24,;-4.65,-4.01,;-3.32,-3.24,;-1.85,-3.72,;-.95,-2.47,;-1.85,-1.22,;-3.32,-1.7,)|
CCCS(=O)(=O)C[C@H]1C[C@@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:7.6,wD:9.11,(5.44,2.67,;3.95,2.27,;2.86,3.36,;1.37,2.96,;-.11,3.36,;1.37,4.5,;.97,1.48,;-.51,1.08,;-1.28,-.26,;-2.62,.51,;-1.85,1.85,;-4.1,.12,;-5.19,1.2,;-4.1,-1.42,;-5.44,-2.19,;-5.44,-3.73,;-4.1,-4.5,;-2.77,-3.73,;-1.31,-4.21,;-.4,-2.96,;-1.31,-1.72,;-2.77,-2.19,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CCC2CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.82,.84,;-4.49,.07,;-3.16,.84,;-3.16,2.38,;-1.62,2.38,;-.53,3.47,;.96,3.07,;1.36,4.55,;.56,1.58,;2.45,2.67,;2.85,1.18,;4.33,.78,;5.42,-.31,;5.82,1.18,;-1.62,.84,;-4.49,-1.47,;-5.82,-2.24,;-5.82,-3.78,;-4.49,-4.55,;-3.16,-3.78,;-1.69,-4.26,;-.79,-3.01,;-1.69,-1.77,;-3.16,-2.24,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CC2CC(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.34,1.38,;-5,.61,;-3.67,1.38,;-3.67,2.92,;-2.13,2.92,;-1.04,4.01,;.29,3.24,;-.48,1.91,;1.38,2.15,;1.63,4.01,;2.96,3.24,;3.36,1.75,;4.85,2.15,;6.34,2.55,;5.62,.82,;4.45,3.64,;-2.13,1.38,;-5,-.93,;-6.34,-1.7,;-6.34,-3.24,;-5,-4.01,;-3.67,-3.24,;-2.2,-3.72,;-1.3,-2.47,;-2.2,-1.22,;-3.67,-1.7,)|
CN([C@@H]1C[C@H](CS(=O)(=O)[C@H]2CC[C@@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.4,9.8,(-7.01,1.61,;-5.68,.84,;-4.34,1.61,;-3.94,3.09,;-2.46,2.69,;-1.12,3.47,;.21,2.69,;-.88,1.61,;1.3,3.78,;1.54,1.93,;1.56,.38,;3.03,-.1,;3.93,1.15,;3.03,2.4,;5.47,1.15,;7.01,1.15,;-2.86,1.21,;-5.68,-.7,;-7.01,-1.47,;-7.01,-3.01,;-5.68,-3.78,;-4.34,-3.01,;-2.88,-3.49,;-1.97,-2.24,;-2.88,-1,;-4.34,-1.47,)|
CN([C@@H]1C[C@H](CS(=O)(=O)[C@@H]2CC[C@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wU:9.8,wD:2.1,4.4,12.14,(-7.01,1.61,;-5.68,.84,;-4.34,1.61,;-3.94,3.09,;-2.46,2.69,;-1.12,3.47,;.21,2.69,;-.88,1.61,;1.3,3.78,;1.54,1.93,;1.56,.38,;3.03,-.1,;3.93,1.15,;3.03,2.4,;5.47,1.15,;7.01,1.15,;-2.86,1.21,;-5.68,-.7,;-7.01,-1.47,;-7.01,-3.01,;-5.68,-3.78,;-4.34,-3.01,;-2.88,-3.49,;-1.97,-2.24,;-2.88,-1,;-4.34,-1.47,)|
CC(C)N1CCC(C1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,w:8.8,wD:14.17,12.12,(6.62,4.68,;5.85,3.34,;6.62,2.01,;4.31,3.34,;3.4,4.59,;1.94,4.11,;1.94,2.57,;3.4,2.1,;.6,1.8,;-.49,.71,;1.94,1.03,;-.73,2.57,;-2.06,1.8,;-3.55,2.2,;-3.95,.71,;-2.46,.32,;-5.28,-.06,;-6.62,.71,;-5.28,-1.6,;-6.62,-2.37,;-6.62,-3.91,;-5.28,-4.68,;-3.95,-3.91,;-2.49,-4.38,;-1.58,-3.14,;-2.49,-1.89,;-3.95,-2.37,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(F)c(Cl)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.98,.23,;-4.65,-.54,;-3.32,.23,;-3.32,1.77,;-1.78,1.77,;-.69,2.85,;.65,2.08,;-.12,.75,;1.74,1,;1.98,2.85,;1.98,4.39,;3.32,5.16,;4.65,4.39,;5.98,5.16,;4.65,2.85,;5.98,2.08,;3.32,2.08,;-1.78,.23,;-4.65,-2.08,;-5.98,-2.85,;-5.98,-4.39,;-4.65,-5.16,;-3.32,-4.39,;-1.85,-4.87,;-.95,-3.62,;-1.85,-2.38,;-3.32,-2.85,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cc(ccn2)C#N)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.94,.61,;-5.61,-.16,;-4.28,.61,;-3.88,2.1,;-2.39,1.7,;-1.06,2.47,;.28,1.7,;-.49,.37,;1.05,.37,;1.61,2.47,;2.94,1.7,;4.28,2.47,;4.28,4.01,;2.94,4.78,;1.61,4.01,;5.61,1.7,;6.94,.93,;-2.79,.21,;-5.61,-1.7,;-6.94,-2.47,;-6.94,-4.01,;-5.61,-4.78,;-4.28,-4.01,;-2.81,-4.49,;-1.91,-3.24,;-2.81,-1.99,;-4.28,-2.47,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1cnc(C)s1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.46,.09,;-4.13,-.68,;-2.79,.09,;-2.4,1.58,;-.91,1.18,;-1.31,-.31,;.43,1.95,;1.76,1.18,;.99,-.15,;2.53,-.15,;3.09,1.95,;4.56,1.47,;5.46,2.72,;4.56,3.97,;5.33,5.3,;3.09,3.49,;-4.13,-2.22,;-5.46,-2.99,;-5.46,-4.53,;-4.13,-5.3,;-2.79,-4.53,;-1.33,-5.01,;-.43,-3.76,;-1.33,-2.51,;-2.79,-2.99,)|
Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Cc1cc(Nc2nc(nc3ccccc23)[C@@H](O)c2ccc(F)cc2)n[nH]1
Cc1cc(Nc2nc(nc3ccccc23)[C@H](O)c2ccc(F)cc2)n[nH]1
O=C(Nc1cc2c(Cl)cncc2s1)[C@@H]1C[C@H]1c1ccccc1
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)|
CN([C@H]1CC[C@H](CS(=O)(=O)NC2CCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.28,1.54,;-4.94,.77,;-3.61,1.54,;-3.61,3.08,;-2.28,3.85,;-.94,3.08,;.39,3.85,;1.72,3.08,;.95,1.75,;2.49,1.75,;3.06,3.85,;4.39,3.08,;4.79,1.59,;6.28,1.99,;5.88,3.48,;-.94,1.54,;-2.28,.77,;-4.94,-.77,;-6.28,-1.54,;-6.28,-3.08,;-4.94,-3.85,;-3.61,-3.08,;-2.28,-3.85,;-.94,-3.08,;-.94,-1.54,;-3.61,-1.54,)|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Cc1nc(C2CCCCC2)c2c3cc[nH]c3ncn12
C1CCC(CC1)c1ncn2cnc3[nH]ccc3c12
O=C(OCc1ccccc1)N1CCCC(C1)c1ncn2cnc3[nH]ccc3c12
O=C(CC#N)N1CCCC(C1)c1ncn2cnc3[nH]ccc3c12
Cc1ccccc1-c1nnn2cnc3[nH]ccc3c12
C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
CC1CCCCC1c1nnn2cnc3[nH]ccc3c12
S=c1[nH]c(C2CCCCC2)c2c3cc[nH]c3ncn12
O=c1[nH]c(C2CCCCC2)c2c3cc[nH]c3ncn12
OC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
CC1CCN(CC1c1nnn2cnc3[nH]ccc3c12)C(=O)OC(C)(C)C
CC1CCN(CC1c1nnn2cnc3[nH]ccc3c12)C(=O)CC#N
CC(C)(C)OC(=O)N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12
O=C(OCc1ccccc1)N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12
C1CNCC(C1)c1nnn2cnc3[nH]ccc3c12
C(N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1
FC(F)(F)CC(=O)N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12
C(N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12)c1cccnc1
C(N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12)c1cncs1
O=C(Nc1nncs1)N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12
Cc1cc(NC(=O)N2CCCC(C2)c2nnn3cnc4[nH]ccc4c23)sn1
N#Cc1ccc(CN2CCCC(C2)c2nnn3cnc4[nH]ccc4c23)cc1
FC(F)(F)c1ccc(CN2CCCC(C2)c2nnn3cnc4[nH]ccc4c23)cc1
CC(C)(C)OC(=O)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
FC(F)(F)CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
O=C(OCc1ccccc1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
C1CC(CCN1)c1nnn2cnc3[nH]ccc3c12
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cccnc1
FC(F)(F)CC(=O)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
O=C(Nc1nncs1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
Cc1cc(NC(=O)N2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)sn1
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1
FC(F)(F)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
N#Cc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
N#Cc1cccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1
Cc1noc(C)c1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
FC(F)(F)Oc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
FC(F)(F)Sc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
FC(F)(F)c1cccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1
Fc1cc(ccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C#N
Brc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
FC(F)(F)c1ccc(CCN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cncs1
C(CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)Cc1ccccc1
COc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1F
FC(F)(F)c1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc(c1)C(F)(F)F
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1nccs1
Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
C(C1CCCCC1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
C1CCC(C1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
FC(F)(F)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cn1
Fc1cc(cc(F)c1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C#N
Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Fc1cccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1
FC(F)(F)C1CCC(CC1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(3.75,6.85,;4.15,5.36,;5.24,6.45,;5.63,4.96,;3.06,4.27,;3.46,2.78,;2.37,1.7,;.88,2.09,;.48,3.58,;1.57,4.67,;-.21,1.01,;.19,-.48,;-.9,-1.57,;-2.39,-1.17,;-2.79,.31,;-1.7,1.4,;-3.48,-2.26,;-5.01,-2.1,;-5.63,-3.51,;-4.49,-4.54,;-4.49,-6.08,;-3.16,-6.85,;-1.82,-6.08,;-.36,-6.55,;.55,-5.31,;-.36,-4.06,;-1.82,-4.54,;-3.16,-3.77,)|
FC(F)(F)C1CCC(CC1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(5.63,4.96,;4.15,5.36,;5.24,6.45,;3.75,6.85,;3.06,4.27,;3.46,2.78,;2.37,1.7,;.88,2.09,;.48,3.58,;1.57,4.67,;-.21,1.01,;.19,-.48,;-.9,-1.57,;-2.39,-1.17,;-2.79,.31,;-1.7,1.4,;-3.48,-2.26,;-5.01,-2.1,;-5.63,-3.51,;-4.49,-4.54,;-4.49,-6.08,;-3.16,-6.85,;-1.82,-6.08,;-.36,-6.55,;.55,-5.31,;-.36,-4.06,;-1.82,-4.54,;-3.16,-3.77,)|
FC(F)(F)c1cccc(NC(=O)N2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1
FC(F)(F)c1ccc(cc1)C(=O)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(5.63,5.16,;4.55,4.07,;4.94,2.58,;6.03,3.67,;3.06,4.47,;1.97,3.38,;2.37,1.89,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,)|
O=C(N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)OCc1ccccc1 |r,wU:6.9,wD:3.2,(1.97,2.24,;1.57,3.73,;.08,4.13,;-1.01,3.04,;-2.49,3.44,;-3.58,2.35,;-3.18,.86,;-1.7,.46,;-.61,1.55,;-4.27,-.23,;-5.8,-.07,;-6.43,-1.48,;-5.29,-2.51,;-5.29,-4.05,;-3.95,-4.82,;-2.62,-4.05,;-1.15,-4.52,;-.25,-3.28,;-1.15,-2.03,;-2.62,-2.51,;-3.95,-1.74,;2.66,4.82,;4.15,4.42,;4.55,2.93,;3.46,1.84,;3.85,.35,;5.34,-.04,;6.43,1.04,;6.03,2.53,)|
N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:4.7,wD:1.0,(3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-.01,1.2,;1.48,.81,;2.57,1.89,;-1.1,.12,;-2.63,.28,;-3.26,-1.13,;-2.11,-2.16,;-2.11,-3.7,;-.78,-4.47,;.55,-3.7,;2.02,-4.18,;2.92,-2.93,;2.02,-1.69,;.55,-2.16,;-.78,-1.39,)|
COC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4.55,4.82,;3.46,3.73,;1.97,4.13,;.88,3.04,;-.61,3.44,;-1.7,2.35,;-1.3,.86,;.19,.46,;1.28,1.55,;-2.39,-.23,;-3.92,-.07,;-4.55,-1.48,;-3.4,-2.51,;-3.4,-4.05,;-2.07,-4.82,;-.73,-4.05,;.73,-4.52,;1.64,-3.28,;.73,-2.03,;-.73,-2.51,;-2.07,-1.74,)|
CO[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
FC1(F)CCC(CC1)c1nnn2cnc3[nH]ccc3c12
C1CC2CC1CC2c1nnn2cnc3[nH]ccc3c12
C1CCCC(CC1)c1nnn2cnc3[nH]ccc3c12
C1CC(C1)c1nnn2cnc3[nH]ccc3c12
FC(F)(F)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(4,3.33,;2.51,3.73,;2.11,5.21,;3.6,4.82,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-.75,.46,;.73,.06,;1.82,1.15,;-1.84,-.63,;-3.37,-.47,;-4,-1.87,;-2.86,-2.9,;-2.86,-4.44,;-1.52,-5.21,;-.19,-4.44,;1.28,-4.92,;2.18,-3.67,;1.28,-2.43,;-.19,-2.9,;-1.52,-2.13,)|
CC(=O)SC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
CC(=O)OC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
FC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
BrC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
ClC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
SC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
CS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(4.42,4.82,;3.33,3.73,;3.33,2.19,;4.67,2.96,;1.85,4.13,;.76,3.04,;-.73,3.44,;-1.82,2.35,;-1.42,.86,;.07,.46,;1.16,1.55,;-2.51,-.23,;-4.04,-.07,;-4.67,-1.48,;-3.52,-2.51,;-3.52,-4.05,;-2.19,-4.82,;-.86,-4.05,;.61,-4.52,;1.51,-3.28,;.61,-2.03,;-.86,-2.51,;-2.19,-1.74,)|
O=C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
FC(F)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4,3.33,;2.51,3.73,;2.11,5.21,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-.75,.46,;.73,.06,;1.82,1.15,;-1.84,-.63,;-3.37,-.47,;-4,-1.87,;-2.86,-2.9,;-2.86,-4.44,;-1.52,-5.21,;-.19,-4.44,;1.28,-4.92,;2.18,-3.67,;1.28,-2.43,;-.19,-2.9,;-1.52,-2.13,)|
O[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:4.7,wD:1.0,(3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-.01,1.2,;1.48,.81,;2.57,1.89,;-1.1,.12,;-2.63,.28,;-3.26,-1.13,;-2.11,-2.16,;-2.11,-3.7,;-.78,-4.47,;.55,-3.7,;2.02,-4.18,;2.92,-2.93,;2.02,-1.69,;.55,-2.16,;-.78,-1.39,)|
O=C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
O[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:4.7,1.0,(3.26,4.47,;2.17,3.38,;2.57,1.89,;1.48,.81,;-.01,1.2,;-.41,2.69,;.68,3.78,;-1.1,.12,;-2.63,.28,;-3.26,-1.13,;-2.11,-2.16,;-2.11,-3.7,;-.78,-4.47,;.55,-3.7,;2.02,-4.18,;2.92,-2.93,;2.02,-1.69,;.55,-2.16,;-.78,-1.39,)|
O=C(OCc1ccccc1)N1CCC(CC1)c1ncn2cnc3[nH]ccc3c12
O=C(OCc1ccccc1)N1CCC(CC1)c1[nH]c(=S)n2cnc3[nH]ccc3c12
FC(F)(F)c1ccc(CN2CCC(CC2)c2[nH]c(=S)n3cnc4[nH]ccc4c23)cc1
O=S1(=O)CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:10.13,wD:7.6,(6.23,3.33,;4.74,2.93,;5.83,1.84,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-2.29,3.44,;-3.38,2.35,;-2.98,.86,;-1.5,.46,;-.41,1.55,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|
N#CC1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:10.13,wD:7.6,(6.98,2.13,;5.49,2.53,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-3.04,3.44,;-4.13,2.35,;-3.73,.86,;-2.24,.46,;-1.15,1.55,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|
N#CCCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(6.38,5.71,;5.29,4.62,;4.2,3.53,;2.71,3.93,;1.62,2.84,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,)|
C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CCOCC1 |r,wU:4.7,wD:1.0,(1.03,4.13,;-.06,3.04,;-1.55,3.44,;-2.64,2.35,;-2.24,.86,;-.75,.46,;.34,1.55,;-3.33,-.23,;-4.86,-.07,;-5.49,-1.48,;-4.34,-2.51,;-4.34,-4.05,;-3.01,-4.82,;-1.68,-4.05,;-.21,-4.52,;.69,-3.28,;-.21,-2.03,;-1.68,-2.51,;-3.01,-1.74,;2.51,3.73,;2.91,2.24,;4.4,1.84,;5.49,2.93,;5.09,4.42,;3.6,4.82,)|
N#Cc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(6.72,6.99,;5.63,5.91,;4.55,4.82,;4.94,3.33,;3.85,2.24,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;1.97,4.13,;3.06,5.21,)|
N#Cc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(8.26,2.48,;6.78,2.88,;5.29,3.28,;4.89,4.76,;3.4,5.16,;2.31,4.07,;.83,4.47,;-.26,3.38,;-1.75,3.78,;-2.84,2.69,;-4.33,3.09,;-5.42,2,;-5.02,.51,;-3.53,.12,;-2.44,1.2,;-6.11,-.58,;-7.64,-.41,;-8.26,-1.82,;-7.12,-2.85,;-7.12,-4.39,;-5.79,-5.16,;-4.45,-4.39,;-2.99,-4.87,;-2.08,-3.62,;-2.99,-2.38,;-4.45,-2.85,;-5.79,-2.08,;2.71,2.58,;4.2,2.19,)|
F[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,1.0,wD:6.5,(5.91,4.59,;4.58,3.82,;4.1,2.35,;2.56,2.35,;2.09,3.82,;.6,4.22,;-.49,3.13,;-1.98,3.53,;-3.07,2.44,;-2.67,.95,;-1.18,.55,;-.09,1.64,;-3.76,-.14,;-5.29,.02,;-5.91,-1.38,;-4.77,-2.41,;-4.77,-3.95,;-3.44,-4.72,;-2.1,-3.95,;-.64,-4.43,;.27,-3.18,;-.64,-1.94,;-2.1,-2.41,;-3.44,-1.64,;3.33,4.72,)|
F[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,1.0,(5.91,4.59,;4.58,3.82,;4.1,2.35,;2.56,2.35,;2.09,3.82,;.6,4.22,;-.49,3.13,;-1.98,3.53,;-3.07,2.44,;-2.67,.95,;-1.18,.55,;-.09,1.64,;-3.76,-.14,;-5.29,.02,;-5.91,-1.38,;-4.77,-2.41,;-4.77,-3.95,;-3.44,-4.72,;-2.1,-3.95,;-.64,-4.43,;.27,-3.18,;-.64,-1.94,;-2.1,-2.41,;-3.44,-1.64,;3.33,4.72,)|
CC1(C)CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,(5.8,3.72,;4.31,3.32,;5.4,2.23,;2.98,2.55,;2.21,3.89,;.72,4.29,;-.37,3.2,;-1.86,3.6,;-2.95,2.51,;-2.55,1.02,;-1.06,.62,;.03,1.71,;-3.64,-.07,;-5.17,.09,;-5.8,-1.32,;-4.65,-2.35,;-4.65,-3.89,;-3.32,-4.66,;-1.98,-3.89,;-.52,-4.36,;.39,-3.12,;-.52,-1.87,;-1.98,-2.35,;-3.32,-1.58,;3.54,4.66,)|
FC1(F)CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:10.13,wD:7.6,(6.23,3.33,;4.74,2.93,;5.83,1.84,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-2.29,3.44,;-3.38,2.35,;-2.98,.86,;-1.5,.46,;-.41,1.55,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|
FC(F)(F)c1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:14.17,wD:11.10,(8.26,2.48,;6.78,2.88,;7.17,1.39,;7.87,3.97,;5.29,3.28,;4.89,4.76,;3.4,5.16,;2.31,4.07,;.83,4.47,;-.26,3.38,;-1.75,3.78,;-2.84,2.69,;-4.33,3.09,;-5.42,2,;-5.02,.51,;-3.53,.12,;-2.44,1.2,;-6.11,-.58,;-7.64,-.41,;-8.26,-1.82,;-7.12,-2.85,;-7.12,-4.39,;-5.79,-5.16,;-4.45,-4.39,;-2.99,-4.87,;-2.08,-3.62,;-2.99,-2.38,;-4.45,-2.85,;-5.79,-2.08,;2.71,2.58,;4.2,2.19,)|
FC(F)(F)c1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(6.92,5.31,;5.43,5.71,;5.04,7.19,;6.52,6.79,;4.35,4.62,;2.86,5.02,;1.77,3.93,;2.17,2.44,;1.08,1.35,;-.41,1.75,;-1.5,.66,;-2.98,1.06,;-4.07,-.03,;-3.68,-1.52,;-2.19,-1.92,;-1.1,-.83,;-4.76,-2.61,;-6.3,-2.45,;-6.92,-3.85,;-5.78,-4.88,;-5.78,-6.42,;-4.44,-7.19,;-3.11,-6.42,;-1.65,-6.9,;-.74,-5.65,;-1.65,-4.41,;-3.11,-4.88,;-4.44,-4.11,;3.66,2.04,;4.74,3.13,)|
Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;3.6,5.76,;2.51,4.67,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;4.4,2.78,;5.49,3.87,)|
Fc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;4.94,2.19,;3.46,2.58,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;4.15,5.16,;5.63,4.76,)|
CN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(F)cc1 |r,wU:6.9,wD:3.2,(2.22,.61,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.91,3.18,;2.51,4.67,;3.6,5.76,;5.09,5.36,;6.18,6.45,;5.49,3.87,;4.4,2.78,)|
Cc1cc(ccc1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C#N |r,wU:12.16,wD:9.9,(.48,4.52,;1.97,4.13,;3.06,5.21,;4.55,4.82,;4.94,3.33,;3.85,2.24,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;5.63,5.91,;6.72,6.99,)|
Cc1cc(OC(F)(F)F)ccc1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:17.21,wD:14.14,(-.46,4.72,;1.03,4.33,;2.11,5.41,;3.6,5.02,;4.69,6.1,;6.18,5.71,;7.67,5.31,;6.58,4.22,;7.27,6.79,;4,3.53,;2.91,2.44,;1.42,2.84,;.34,1.75,;-1.15,2.15,;-2.24,1.06,;-3.73,1.46,;-4.82,.37,;-4.42,-1.12,;-2.93,-1.52,;-1.84,-.43,;-5.51,-2.21,;-7.04,-2.05,;-7.67,-3.45,;-6.52,-4.48,;-6.52,-6.02,;-5.19,-6.79,;-3.85,-6.02,;-2.39,-6.5,;-1.48,-5.25,;-2.39,-4.01,;-3.85,-4.48,;-5.19,-3.71,)|
FC(F)(F)c1cc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C#N |r,wU:12.15,wD:9.8,(3.75,7.19,;2.66,6.1,;1.17,6.5,;2.26,7.59,;3.06,4.62,;1.97,3.53,;2.37,2.04,;1.28,.95,;-.21,1.35,;-1.3,.26,;-2.79,.66,;-3.87,-.43,;-3.48,-1.92,;-1.99,-2.32,;-.9,-1.23,;-4.57,-3.01,;-6.1,-2.84,;-6.72,-4.25,;-5.58,-5.28,;-5.58,-6.82,;-4.24,-7.59,;-2.91,-6.82,;-1.45,-7.3,;-.54,-6.05,;-1.45,-4.81,;-2.91,-5.28,;-4.24,-4.51,;3.85,1.64,;4.94,2.73,;4.55,4.22,;5.63,5.31,;6.72,6.4,)|
Cc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)s1 |r,wU:11.14,wD:8.7,(7.2,4.93,;5.87,4.16,;5.39,2.7,;3.85,2.7,;3.38,4.16,;1.89,4.56,;.8,3.47,;-.69,3.87,;-1.78,2.78,;-3.26,3.18,;-4.35,2.09,;-3.95,.61,;-2.47,.21,;-1.38,1.3,;-5.04,-.48,;-6.58,-.32,;-7.2,-1.73,;-6.06,-2.76,;-6.06,-4.3,;-4.72,-5.07,;-3.39,-4.3,;-1.93,-4.78,;-1.02,-3.53,;-1.93,-2.28,;-3.39,-2.76,;-4.72,-1.99,;4.62,5.07,)|
FCCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.83,5.16,;4.74,4.07,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|
CN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(cc1)C#N |r,wU:6.9,wD:3.2,(1.68,.06,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;2.37,2.64,;1.97,4.13,;3.06,5.21,;4.55,4.82,;4.94,3.33,;3.85,2.24,;5.63,5.91,;6.72,6.99,)|
CC(NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(F)c(F)c1 |r,wU:7.10,wD:4.3,(1.17,5.56,;1.57,4.07,;.48,2.98,;-1.01,3.38,;-2.1,2.29,;-3.58,2.69,;-4.67,1.6,;-4.27,.12,;-2.79,-.28,;-1.7,.81,;-5.36,-.97,;-6.89,-.81,;-7.52,-2.22,;-6.38,-3.25,;-6.38,-4.79,;-5.04,-5.56,;-3.71,-4.79,;-2.24,-5.27,;-1.34,-4.02,;-2.24,-2.77,;-3.71,-3.25,;-5.04,-2.48,;3.06,3.67,;4.15,4.76,;5.63,4.36,;6.03,2.88,;7.52,2.48,;4.94,1.79,;5.34,.3,;3.46,2.19,)|
FC(F)(F)Oc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:15.18,wD:12.11,(5.89,.3,;6.98,1.39,;8.46,.99,;7.37,-.1,;6.58,2.88,;5.09,3.28,;4.69,4.76,;3.2,5.16,;2.11,4.07,;.63,4.47,;-.46,3.38,;-1.95,3.78,;-3.04,2.69,;-4.53,3.09,;-5.61,2,;-5.22,.51,;-3.73,.12,;-2.64,1.2,;-6.31,-.58,;-7.84,-.41,;-8.46,-1.82,;-7.32,-2.85,;-7.32,-4.39,;-5.99,-5.16,;-4.65,-4.39,;-3.19,-4.87,;-2.28,-3.62,;-3.19,-2.38,;-4.65,-2.85,;-5.99,-2.08,;2.51,2.58,;4,2.19,)|
Fc1ccc(CCNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(7.47,6.79,;6.38,5.71,;6.78,4.22,;5.69,3.13,;4.2,3.53,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;3.8,5.02,;4.89,6.1,)|
Fc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1C(F)(F)F |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;5.63,4.76,;4.15,5.16,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;3.46,2.58,;4.94,2.19,;5.34,.7,;6.83,.3,;4.25,-.39,;5.74,-.79,)|
CS(=O)(=O)c1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:14.17,wD:11.10,(8.06,3.97,;6.98,2.88,;6.58,1.39,;8.06,1.79,;5.49,3.28,;5.09,4.76,;3.6,5.16,;2.51,4.07,;1.03,4.47,;-.06,3.38,;-1.55,3.78,;-2.64,2.69,;-4.13,3.09,;-5.22,2,;-4.82,.51,;-3.33,.12,;-2.24,1.2,;-5.91,-.58,;-7.44,-.41,;-8.06,-1.82,;-6.92,-2.85,;-6.92,-4.39,;-5.59,-5.16,;-4.25,-4.39,;-2.79,-4.87,;-1.88,-3.62,;-2.79,-2.38,;-4.25,-2.85,;-5.59,-2.08,;2.91,2.58,;4.4,2.19,)|
FC(F)(F)Oc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:14.17,wD:11.10,(6.58,4.22,;6.18,5.71,;7.27,6.79,;7.67,5.31,;4.69,6.1,;3.6,5.02,;4,3.53,;2.91,2.44,;1.42,2.84,;.34,1.75,;-1.15,2.15,;-2.24,1.06,;-3.73,1.46,;-4.82,.37,;-4.42,-1.12,;-2.93,-1.52,;-1.84,-.43,;-5.51,-2.21,;-7.04,-2.05,;-7.67,-3.45,;-6.52,-4.48,;-6.52,-6.02,;-5.19,-6.79,;-3.85,-6.02,;-2.39,-6.5,;-1.48,-5.25,;-2.39,-4.01,;-3.85,-4.48,;-5.19,-3.71,;1.03,4.33,;2.11,5.41,)|
FC(F)(F)Oc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)c(Cl)c1 |r,wU:14.17,wD:11.10,(6.58,4.22,;6.18,5.71,;7.67,5.31,;7.27,6.79,;4.69,6.1,;3.6,5.02,;4,3.53,;2.91,2.44,;1.42,2.84,;.34,1.75,;-1.15,2.15,;-2.24,1.06,;-3.73,1.46,;-4.82,.37,;-4.42,-1.12,;-2.93,-1.52,;-1.84,-.43,;-5.51,-2.21,;-7.04,-2.05,;-7.67,-3.45,;-6.52,-4.48,;-6.52,-6.02,;-5.19,-6.79,;-3.85,-6.02,;-2.39,-6.5,;-1.48,-5.25,;-2.39,-4.01,;-3.85,-4.48,;-5.19,-3.71,;1.03,4.33,;-.46,4.72,;2.11,5.41,)|
Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)c(c1)C#N |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,;1.03,5.07,;-.46,5.47,)|
Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)c(c1)C(F)(F)F |r,wU:10.13,wD:7.6,(6.18,6.4,;5.09,5.31,;5.49,3.82,;4.4,2.73,;2.91,3.13,;1.82,2.04,;.34,2.44,;-.75,1.35,;-2.24,1.75,;-3.33,.66,;-2.93,-.83,;-1.44,-1.23,;-.36,-.14,;-4.02,-1.92,;-5.55,-1.76,;-6.18,-3.16,;-5.03,-4.19,;-5.03,-5.73,;-3.7,-6.5,;-2.37,-5.73,;-.9,-6.21,;0,-4.96,;-.9,-3.72,;-2.37,-4.19,;-3.7,-3.42,;2.51,4.62,;3.6,5.71,;1.03,5.02,;.63,6.5,;-.06,3.93,;-.46,5.41,)|
C(Nc1ccc(cc1)N1CCOCC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:17.22,wD:14.15,(-.95,1.2,;.53,.81,;1.62,1.89,;3.11,1.5,;4.2,2.58,;3.8,4.07,;2.31,4.47,;1.22,3.38,;4.89,5.16,;6.38,4.76,;7.47,5.85,;7.07,7.34,;5.58,7.74,;4.49,6.65,;-2.04,.12,;-3.53,.51,;-4.62,-.58,;-4.22,-2.06,;-2.73,-2.46,;-1.64,-1.37,;-5.31,-3.15,;-6.84,-2.99,;-7.47,-4.4,;-6.32,-5.43,;-6.32,-6.97,;-4.99,-7.74,;-3.65,-6.97,;-2.19,-7.44,;-1.29,-6.2,;-2.19,-4.95,;-3.65,-5.43,;-4.99,-4.66,)|
O[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,1.0,wD:6.5,(5.91,4.59,;4.58,3.82,;4.1,2.35,;2.56,2.35,;2.09,3.82,;.6,4.22,;-.49,3.13,;-1.98,3.53,;-3.07,2.44,;-2.67,.95,;-1.18,.55,;-.09,1.64,;-3.76,-.14,;-5.29,.02,;-5.91,-1.38,;-4.77,-2.41,;-4.77,-3.95,;-3.44,-4.72,;-2.1,-3.95,;-.64,-4.43,;.27,-3.18,;-.64,-1.94,;-2.1,-2.41,;-3.44,-1.64,;3.33,4.72,)|
C(NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)[C@@H]1CCCO1 |r,wU:6.9,21.24,wD:3.2,(2.56,4.56,;1.47,3.47,;-.02,3.87,;-1.11,2.78,;-2.6,3.18,;-3.69,2.09,;-3.29,.61,;-1.8,.21,;-.71,1.3,;-4.38,-.48,;-5.91,-.32,;-6.53,-1.73,;-5.39,-2.76,;-5.39,-4.3,;-4.06,-5.07,;-2.72,-4.3,;-1.26,-4.78,;-.35,-3.53,;-1.26,-2.28,;-2.72,-2.76,;-4.06,-1.99,;4.04,4.16,;4.52,2.7,;6.06,2.7,;6.53,4.16,;5.29,5.07,)|
N#Cc1ccc(NC2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |(6.98,2.13,;5.49,2.53,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-1.15,1.55,;-2.24,.46,;-3.73,.86,;-4.13,2.35,;-3.04,3.44,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|
C(Cc1ccncc1)NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-.95,1.2,;-2.04,.12,;-3.53,.51,;-3.93,2,;-2.84,3.09,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
C(Cc1ccccc1)NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-.95,1.2,;-2.04,.12,;-3.53,.51,;-3.93,2,;-2.84,3.09,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
C1CN(CCO1)C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(4.55,3.87,;3.46,2.78,;1.97,3.18,;1.57,4.67,;2.66,5.76,;4.15,5.36,;.88,2.09,;1.28,.61,;.19,-.48,;-1.3,-.08,;-1.7,1.4,;-.61,2.49,;-2.39,-1.17,;-3.92,-1.01,;-4.55,-2.42,;-3.4,-3.45,;-3.4,-4.99,;-2.07,-5.76,;-.73,-4.99,;.73,-5.47,;1.64,-4.22,;.73,-2.97,;-.73,-3.45,;-2.07,-2.68,)|
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C(CN1CCOCC1)NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-.95,1.2,;-2.04,.12,;-3.53,.51,;-3.93,2,;-2.84,3.09,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
N#CC1CCN(CC1)C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(5.43,6.65,;4.35,5.56,;3.26,4.47,;3.66,2.98,;2.57,1.89,;1.08,2.29,;.68,3.78,;1.77,4.87,;-.01,1.2,;.39,-.28,;-.7,-1.37,;-2.19,-.97,;-2.59,.51,;-1.5,1.6,;-3.28,-2.06,;-4.81,-1.9,;-5.43,-3.31,;-4.29,-4.34,;-4.29,-5.88,;-2.96,-6.65,;-1.62,-5.88,;-.16,-6.35,;.75,-5.11,;-.16,-3.86,;-1.62,-4.34,;-2.96,-3.57,)|
FC(F)(F)c1ccc(NC2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |(5.89,1.04,;5.49,2.53,;6.58,3.62,;6.98,2.13,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-1.15,1.55,;-2.24,.46,;-3.73,.86,;-4.13,2.35,;-3.04,3.44,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|
Fc1cc(ccc1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C#N |(1.72,5.56,;2.11,4.07,;3.6,3.67,;4,2.19,;2.91,1.1,;1.42,1.5,;1.03,2.98,;-.46,3.38,;-1.55,2.29,;-1.15,.81,;-2.24,-.28,;-3.73,.12,;-4.13,1.6,;-3.04,2.69,;-4.82,-.97,;-6.35,-.81,;-6.98,-2.22,;-5.83,-3.25,;-5.83,-4.79,;-4.5,-5.56,;-3.16,-4.79,;-1.7,-5.27,;-.79,-4.02,;-1.7,-2.77,;-3.16,-3.25,;-4.5,-2.48,;5.49,1.79,;6.98,1.39,)|
CN(C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(F)cc1 |(-.12,5.21,;.28,3.73,;-.81,2.64,;-.41,1.15,;-1.5,.06,;-2.98,.46,;-3.38,1.95,;-2.29,3.04,;-4.07,-.63,;-5.61,-.47,;-6.23,-1.87,;-5.09,-2.9,;-5.09,-4.44,;-3.75,-5.21,;-2.42,-4.44,;-.96,-4.92,;-.05,-3.67,;-.96,-2.43,;-2.42,-2.9,;-3.75,-2.13,;1.77,3.33,;2.17,1.84,;3.66,1.44,;4.74,2.53,;6.23,2.13,;4.35,4.02,;2.86,4.42,)|
Fc1ccc(NC2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |(6.23,2.53,;4.74,2.93,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-.41,1.55,;-1.5,.46,;-2.98,.86,;-3.38,2.35,;-2.29,3.44,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|
Cc1cc(ccc1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C#N |(1.72,5.56,;2.11,4.07,;3.6,3.67,;4,2.19,;2.91,1.1,;1.42,1.5,;1.03,2.98,;-.46,3.38,;-1.55,2.29,;-1.15,.81,;-2.24,-.28,;-3.73,.12,;-4.13,1.6,;-3.04,2.69,;-4.82,-.97,;-6.35,-.81,;-6.98,-2.22,;-5.83,-3.25,;-5.83,-4.79,;-4.5,-5.56,;-3.16,-4.79,;-1.7,-5.27,;-.79,-4.02,;-1.7,-2.77,;-3.16,-3.25,;-4.5,-2.48,;5.49,1.79,;6.98,1.39,)|
Cc1cc(OC(F)(F)F)ccc1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(1.17,5.56,;1.57,4.07,;3.06,3.67,;3.46,2.19,;4.94,1.79,;6.03,2.88,;5.63,4.36,;7.52,2.48,;7.12,3.97,;2.37,1.1,;.88,1.5,;.48,2.98,;-1.01,3.38,;-2.1,2.29,;-1.7,.81,;-2.79,-.28,;-4.27,.12,;-4.67,1.6,;-3.58,2.69,;-5.36,-.97,;-6.89,-.81,;-7.52,-2.22,;-6.38,-3.25,;-6.38,-4.79,;-5.04,-5.56,;-3.71,-4.79,;-2.24,-5.27,;-1.34,-4.02,;-2.24,-2.77,;-3.71,-3.25,;-5.04,-2.48,)|
N#Cc1ccc(N[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,7.6,(6.98,2.13,;5.49,2.53,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-1.15,1.55,;-2.24,.46,;-3.73,.86,;-4.13,2.35,;-3.04,3.44,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|
N#Cc1ccc(N[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.98,2.13,;5.49,2.53,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-3.04,3.44,;-4.13,2.35,;-3.73,.86,;-2.24,.46,;-1.15,1.55,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|
C(Cc1ccccc1)N[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,9.9,(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-.95,1.2,;-2.04,.12,;-3.53,.51,;-3.93,2,;-2.84,3.09,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
C(Cc1ccccc1)N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-2.84,3.09,;-3.93,2,;-3.53,.51,;-2.04,.12,;-.95,1.2,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
C(CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12)Cc1ccccc1 |r,wU:6.9,3.2,(1.97,3.18,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-1.3,-.08,;-2.39,-1.17,;-3.87,-.77,;-4.27,.71,;-3.18,1.8,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;3.46,2.78,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,)|
C(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)Cc1ccccc1 |r,wU:6.9,wD:3.2,(1.97,3.18,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;3.46,2.78,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,)|
N#Cc1ccc(CN[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,8.7,(6.72,6.99,;5.63,5.91,;4.55,4.82,;3.06,5.21,;1.97,4.13,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-.9,-.63,;-1.99,-1.72,;-3.48,-1.32,;-3.87,.17,;-2.79,1.26,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;3.85,2.24,;4.94,3.33,)|
N#Cc1ccc(CN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(6.72,6.99,;5.63,5.91,;4.55,4.82,;3.06,5.21,;1.97,4.13,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;3.85,2.24,;4.94,3.33,)|
FC(F)(F)c1ccc(CN[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,10.9,(5.04,7.19,;5.43,5.71,;6.92,5.31,;6.52,6.79,;4.35,4.62,;4.74,3.13,;3.66,2.04,;2.17,2.44,;1.08,1.35,;-.41,1.75,;-1.5,.66,;-1.1,-.83,;-2.19,-1.92,;-3.68,-1.52,;-4.07,-.03,;-2.98,1.06,;-4.76,-2.61,;-6.3,-2.45,;-6.92,-3.85,;-5.78,-4.88,;-5.78,-6.42,;-4.44,-7.19,;-3.11,-6.42,;-1.65,-6.9,;-.74,-5.65,;-1.65,-4.41,;-3.11,-4.88,;-4.44,-4.11,;1.77,3.93,;2.86,5.02,)|
FC(F)(F)c1ccc(CN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(6.52,6.79,;5.43,5.71,;5.04,7.19,;6.92,5.31,;4.35,4.62,;2.86,5.02,;1.77,3.93,;2.17,2.44,;1.08,1.35,;-.41,1.75,;-1.5,.66,;-2.98,1.06,;-4.07,-.03,;-3.68,-1.52,;-2.19,-1.92,;-1.1,-.83,;-4.76,-2.61,;-6.3,-2.45,;-6.92,-3.85,;-5.78,-4.88,;-5.78,-6.42,;-4.44,-7.19,;-3.11,-6.42,;-1.65,-6.9,;-.74,-5.65,;-1.65,-4.41,;-3.11,-4.88,;-4.44,-4.11,;3.66,2.04,;4.74,3.13,)|
C1CN(CCO1)N[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,7.7,(4.4,1.84,;2.91,2.24,;2.51,3.73,;3.6,4.82,;5.09,4.42,;5.49,2.93,;1.03,4.13,;-.06,3.04,;.34,1.55,;-.75,.46,;-2.24,.86,;-2.64,2.35,;-1.55,3.44,;-3.33,-.23,;-4.86,-.07,;-5.49,-1.48,;-4.34,-2.51,;-4.34,-4.05,;-3.01,-4.82,;-1.68,-4.05,;-.21,-4.52,;.69,-3.28,;-.21,-2.03,;-1.68,-2.51,;-3.01,-1.74,)|
C1CN(CCO1)N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,wD:7.7,(4.4,1.84,;2.91,2.24,;2.51,3.73,;3.6,4.82,;5.09,4.42,;5.49,2.93,;1.03,4.13,;-.06,3.04,;-1.55,3.44,;-2.64,2.35,;-2.24,.86,;-.75,.46,;.34,1.55,;-3.33,-.23,;-4.86,-.07,;-5.49,-1.48,;-4.34,-2.51,;-4.34,-4.05,;-3.01,-4.82,;-1.68,-4.05,;-.21,-4.52,;.69,-3.28,;-.21,-2.03,;-1.68,-2.51,;-3.01,-1.74,)|
OCc1ccc(cc1)-c1nnn2cnc3[nH]ccc3c12
Fc1ccccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
FC(F)(F)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)o1
N#Cc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cn1
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccco1
Ic1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)o1
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cccs1
Brc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)o1
Clc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccn[nH]1
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1csnn1
Brc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1C(F)(F)F
FC(F)(F)c1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1Cl
CS(=O)(=O)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Fc1cc(ccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F
Fc1cc(Cl)ccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
Fc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1Cl
Clc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccn1
Fc1cnccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)nc1
Clc1cnccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c(F)c1
Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c(Cl)c1
Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1F
Fc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C(F)(F)F
OCCOc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
FC(F)C(F)(F)Oc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
COc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cn1
CC(C)(C)OC(=O)NCCN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
OC(CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccccc1)C(F)(F)F |r,wU:8.11,wD:5.4,(3.06,1.3,;3.46,2.78,;1.97,3.18,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,;4.79,2.01,;4.79,.47,;6.12,2.78,;6.12,1.24,)|
FC(F)(F)S(=O)(=O)c1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:16.19,wD:13.12,(6.58,3.82,;6.18,5.31,;7.27,6.4,;7.67,4.91,;4.69,5.71,;3.6,6.79,;5.09,7.19,;3.6,4.62,;4,3.13,;2.91,2.04,;1.42,2.44,;.34,1.35,;-1.15,1.75,;-2.24,.66,;-3.73,1.06,;-4.82,-.03,;-4.42,-1.52,;-2.93,-1.92,;-1.84,-.83,;-5.51,-2.61,;-7.04,-2.45,;-7.67,-3.85,;-6.52,-4.88,;-6.52,-6.42,;-5.19,-7.19,;-3.85,-6.42,;-2.39,-6.9,;-1.48,-5.65,;-2.39,-4.41,;-3.85,-4.88,;-5.19,-4.11,;1.03,3.93,;2.11,5.02,)|
C(Cc1ccccc1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.17,wD:10.10,(1.97,3.18,;3.46,2.78,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,)|
FC(F)(F)c1nc2cc(NC[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)ccc2[nH]1 |r,wU:14.17,wD:11.10,(7.91,4.33,;6.82,5.42,;7.22,6.9,;8.31,5.81,;5.33,5.02,;4.86,3.55,;3.32,3.55,;2.29,2.41,;.78,2.73,;-.31,1.64,;-1.8,2.04,;-2.88,.95,;-4.37,1.35,;-5.46,.26,;-5.06,-1.23,;-3.57,-1.63,;-2.49,-.54,;-6.15,-2.32,;-7.68,-2.16,;-8.31,-3.56,;-7.16,-4.59,;-7.16,-6.13,;-5.83,-6.9,;-4.5,-6.13,;-3.03,-6.61,;-2.13,-5.36,;-3.03,-4.12,;-4.5,-4.59,;-5.83,-3.82,;.31,4.19,;1.34,5.34,;2.84,5.02,;4.09,5.92,)|
Clc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|
Clc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;4.94,2.19,;3.46,2.58,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;4.15,5.16,;5.63,4.76,)|
Clc1ccc(CCNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(7.47,6.79,;6.38,5.71,;6.78,4.22,;5.69,3.13,;4.2,3.53,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;3.8,5.02,;4.89,6.1,)|
Fc1ccc2N(C[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)CCc2c1 |r,wU:10.13,wD:7.6,(6.57,5.94,;5.24,5.17,;3.91,5.94,;2.57,5.17,;2.57,3.63,;1.43,2.6,;-.06,3,;-1.15,1.91,;-2.64,2.31,;-3.73,1.22,;-3.33,-.27,;-1.84,-.67,;-.75,.42,;-4.42,-1.36,;-5.95,-1.19,;-6.57,-2.6,;-5.43,-3.63,;-5.43,-5.17,;-4.1,-5.94,;-2.76,-5.17,;-1.3,-5.65,;-.39,-4.4,;-1.3,-3.16,;-2.76,-3.63,;-4.1,-2.86,;2.05,1.19,;3.59,1.36,;3.91,2.86,;5.24,3.63,)|
N#CCCN(CCC#N)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.38,5.71,;5.29,4.62,;4.2,3.53,;2.71,3.93,;1.62,2.84,;2.02,1.35,;3.51,.95,;3.91,-.54,;4.31,-2.02,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,)|
CN(C)[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:11.14,3.2,wD:8.7,(5.84,5.21,;5.45,3.73,;6.53,2.64,;3.96,3.33,;3.48,1.86,;1.94,1.86,;1.47,3.33,;-.02,3.73,;-1.11,2.64,;-2.6,3.04,;-3.69,1.95,;-3.29,.46,;-1.8,.06,;-.71,1.15,;-4.38,-.63,;-5.91,-.47,;-6.53,-1.87,;-5.39,-2.9,;-5.39,-4.44,;-4.06,-5.21,;-2.72,-4.44,;-1.26,-4.92,;-.35,-3.67,;-1.26,-2.43,;-2.72,-2.9,;-4.06,-2.13,;2.71,4.23,)|
Cc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)o1 |r,wU:11.14,wD:8.7,(7.2,4.93,;5.87,4.16,;5.39,2.7,;3.85,2.7,;3.38,4.16,;1.89,4.56,;.8,3.47,;-.69,3.87,;-1.78,2.78,;-3.26,3.18,;-4.35,2.09,;-3.95,.61,;-2.47,.21,;-1.38,1.3,;-5.04,-.48,;-6.58,-.32,;-7.2,-1.73,;-6.06,-2.76,;-6.06,-4.3,;-4.72,-5.07,;-3.39,-4.3,;-1.93,-4.78,;-1.02,-3.53,;-1.93,-2.28,;-3.39,-2.76,;-4.72,-1.99,;4.62,5.07,)|
Cc1cnc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cn1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;5.63,4.76,;4.15,5.16,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;3.46,2.58,;4.94,2.19,)|
C[C@H](O)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,1.1,wD:6.5,(5.14,2.58,;4.74,4.07,;5.83,5.16,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|
C[C@@H](O)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,1.1,(5.14,2.58,;4.74,4.07,;5.83,5.16,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|
OC(CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:8.11,wD:5.4,(3.85,1.3,;3.46,2.78,;1.97,3.18,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,)|
N#C[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:10.13,2.1,wD:7.6,(6.73,4.62,;5.25,4.22,;3.76,3.82,;3.28,2.35,;1.74,2.35,;1.27,3.82,;-.22,4.22,;-1.31,3.13,;-2.8,3.53,;-3.89,2.44,;-3.49,.95,;-2,.55,;-.91,1.64,;-4.58,-.14,;-6.11,.02,;-6.73,-1.38,;-5.59,-2.41,;-5.59,-3.95,;-4.26,-4.72,;-2.92,-3.95,;-1.46,-4.43,;-.55,-3.18,;-1.46,-1.94,;-2.92,-2.41,;-4.26,-1.64,;2.51,4.72,)|
FC(F)(F)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(4.94,2.58,;4.55,4.07,;5.63,5.16,;6.03,3.67,;3.06,4.47,;1.97,3.38,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,)|
CS(=O)(=O)c1ccc2N(C[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)CCc2c1 |r,wU:13.16,wD:10.9,(7.24,4.51,;5.91,5.28,;5.14,6.61,;6.68,6.61,;4.57,4.51,;3.24,5.28,;1.91,4.51,;1.91,2.97,;.76,1.93,;-.73,2.33,;-1.82,1.24,;-3.3,1.64,;-4.39,.55,;-3.99,-.93,;-2.51,-1.33,;-1.42,-.24,;-5.08,-2.02,;-6.61,-1.86,;-7.24,-3.27,;-6.1,-4.3,;-6.1,-5.84,;-4.76,-6.61,;-3.43,-5.84,;-1.96,-6.31,;-1.06,-5.07,;-1.96,-3.82,;-3.43,-4.3,;-4.76,-3.53,;1.39,.53,;2.92,.69,;3.24,2.2,;4.57,2.97,)|
CN(C)S(=O)(=O)c1ccc2N(C[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)CCc2c1 |r,wU:15.18,wD:12.11,(6.57,2.97,;6.57,4.51,;7.91,5.28,;5.24,5.28,;4.47,6.61,;6.01,6.61,;3.91,4.51,;2.57,5.28,;1.24,4.51,;1.24,2.97,;.09,1.93,;-1.39,2.33,;-2.48,1.24,;-3.97,1.64,;-5.06,.55,;-4.66,-.93,;-3.17,-1.33,;-2.08,-.24,;-5.75,-2.02,;-7.28,-1.86,;-7.91,-3.27,;-6.76,-4.3,;-6.76,-5.84,;-5.43,-6.61,;-4.1,-5.84,;-2.63,-6.31,;-1.73,-5.07,;-2.63,-3.82,;-4.1,-4.3,;-5.43,-3.53,;.72,.53,;2.25,.69,;2.57,2.2,;3.91,2.97,)|
O=C1NCCN1CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.17,wD:10.10,(3.02,6.21,;4.35,5.44,;5.6,6.35,;6.84,5.44,;6.37,3.98,;4.83,3.98,;3.74,2.89,;2.25,3.29,;1.16,2.2,;-.33,2.6,;-1.42,1.51,;-2.9,1.91,;-3.99,.82,;-3.59,-.67,;-2.11,-1.07,;-1.02,.02,;-4.68,-1.76,;-6.21,-1.6,;-6.84,-3.01,;-5.7,-4.04,;-5.7,-5.58,;-4.36,-6.35,;-3.03,-5.58,;-1.56,-6.05,;-.66,-4.81,;-1.56,-3.56,;-3.03,-4.04,;-4.36,-3.27,)|
C(Cc1c[nH]cn1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(2.25,3.29,;3.74,2.89,;4.83,3.98,;4.35,5.44,;5.6,6.35,;6.84,5.44,;6.37,3.98,;1.16,2.2,;-.33,2.6,;-1.42,1.51,;-2.9,1.91,;-3.99,.82,;-3.59,-.67,;-2.11,-1.07,;-1.02,.02,;-4.68,-1.76,;-6.21,-1.6,;-6.84,-3.01,;-5.7,-4.04,;-5.7,-5.58,;-4.36,-6.35,;-3.03,-5.58,;-1.56,-6.05,;-.66,-4.81,;-1.56,-3.56,;-3.03,-4.04,;-4.36,-3.27,)|
C(NCc1ccccc1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(-.26,3.78,;1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-1.35,2.69,;-2.84,3.09,;-3.93,2,;-3.53,.51,;-2.04,.12,;-.95,1.2,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
C(N[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:5.8,2.1,(2.17,2.44,;.68,2.84,;-.41,1.75,;-.01,.26,;-1.1,-.83,;-2.59,-.43,;-2.98,1.06,;-1.9,2.15,;-3.68,-1.52,;-5.21,-1.36,;-5.83,-2.76,;-4.69,-3.79,;-4.69,-5.33,;-3.36,-6.1,;-2.02,-5.33,;-.56,-5.81,;.35,-4.56,;-.56,-3.32,;-2.02,-3.79,;-3.36,-3.02,;3.26,3.53,;4.74,3.13,;5.83,4.22,;5.43,5.71,;3.95,6.1,;2.86,5.02,)|
C(N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:5.8,wD:2.1,(2.17,2.44,;.68,2.84,;-.41,1.75,;-1.9,2.15,;-2.98,1.06,;-2.59,-.43,;-1.1,-.83,;-.01,.26,;-3.68,-1.52,;-5.21,-1.36,;-5.83,-2.76,;-4.69,-3.79,;-4.69,-5.33,;-3.36,-6.1,;-2.02,-5.33,;-.56,-5.81,;.35,-4.56,;-.56,-3.32,;-2.02,-3.79,;-3.36,-3.02,;3.26,3.53,;4.74,3.13,;5.83,4.22,;5.43,5.71,;3.95,6.1,;2.86,5.02,)|
Fc1ccc(CN[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-.36,-.08,;-1.44,-1.17,;-2.93,-.77,;-3.33,.71,;-2.24,1.8,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|
Fc1ccc(CN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|
OC(CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccccc1)C(F)(F)F |r,wU:7.10,4.3,(1.22,4.57,;2.31,3.48,;1.22,2.39,;-.26,2.79,;-1.35,1.7,;-.95,.22,;-2.04,-.87,;-3.53,-.47,;-3.93,1.01,;-2.84,2.1,;-4.62,-1.56,;-6.15,-1.4,;-6.78,-2.81,;-5.63,-3.84,;-5.63,-5.38,;-4.3,-6.15,;-2.96,-5.38,;-1.5,-5.86,;-.59,-4.61,;-1.5,-3.36,;-2.96,-3.84,;-4.3,-3.07,;3.8,3.08,;4.2,1.6,;5.69,1.2,;6.78,2.29,;6.38,3.77,;4.89,4.17,;3.08,4.82,;4.62,4.82,;2.31,6.15,;3.85,6.15,)|
OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccccc1)C(F)(F)F |r,wU:7.10,wD:4.3,(1.22,4.57,;2.31,3.48,;1.22,2.39,;-.26,2.79,;-1.35,1.7,;-2.84,2.1,;-3.93,1.01,;-3.53,-.47,;-2.04,-.87,;-.95,.22,;-4.62,-1.56,;-6.15,-1.4,;-6.78,-2.81,;-5.63,-3.84,;-5.63,-5.38,;-4.3,-6.15,;-2.96,-5.38,;-1.5,-5.86,;-.59,-4.61,;-1.5,-3.36,;-2.96,-3.84,;-4.3,-3.07,;3.8,3.08,;4.2,1.6,;5.69,1.2,;6.78,2.29,;6.38,3.77,;4.89,4.17,;3.08,4.82,;4.62,4.82,;3.85,6.15,;2.31,6.15,)|
Clc1ccc(CN[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-.36,-.08,;-1.44,-1.17,;-2.93,-.77,;-3.33,.71,;-2.24,1.8,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|
Clc1ccc(CN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;3.6,5.76,;2.51,4.67,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;4.4,2.78,;5.49,3.87,)|
Clc1ccc(CCN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;4.94,2.19,;3.46,2.58,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;4.15,5.16,;5.63,4.76,)|
OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccc(Cl)cc1)C(F)(F)F |r,wU:7.10,wD:4.3,(.5,4.42,;1.59,3.33,;.5,2.24,;-.99,2.64,;-2.08,1.55,;-3.56,1.95,;-4.65,.86,;-4.26,-.63,;-2.77,-1.03,;-1.68,.06,;-5.34,-1.72,;-6.88,-1.56,;-7.5,-2.96,;-6.36,-3.99,;-6.36,-5.53,;-5.02,-6.3,;-3.69,-5.53,;-2.23,-6.01,;-1.32,-4.76,;-2.23,-3.52,;-3.69,-3.99,;-5.02,-3.22,;3.04,2.93,;3.44,1.44,;4.93,1.04,;6.01,2.13,;7.5,1.73,;5.62,3.62,;4.13,4.02,;1.99,4.82,;.9,5.91,;3.47,5.21,;2.39,6.3,)|
OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccc(F)cc1)C(F)(F)F |r,wU:7.10,wD:4.3,(.5,4.57,;1.59,3.48,;.5,2.39,;-.99,2.79,;-2.08,1.7,;-3.56,2.1,;-4.65,1.01,;-4.26,-.47,;-2.77,-.87,;-1.68,.22,;-5.34,-1.56,;-6.88,-1.4,;-7.5,-2.81,;-6.36,-3.84,;-6.36,-5.38,;-5.02,-6.15,;-3.69,-5.38,;-2.23,-5.86,;-1.32,-4.61,;-2.23,-3.36,;-3.69,-3.84,;-5.02,-3.07,;3.04,3.08,;3.44,1.6,;4.93,1.2,;6.01,2.29,;7.5,1.89,;5.62,3.77,;4.13,4.17,;2.36,4.82,;1.59,6.15,;3.9,4.82,;3.13,6.15,)|
Fc1ccc(CCN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;4.94,2.19,;3.46,2.58,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;4.15,5.16,;5.63,4.76,)|
OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:7.10,wD:4.3,(1.93,5.56,;2.33,4.07,;1.24,2.98,;-.24,3.38,;-1.33,2.29,;-2.82,2.69,;-3.91,1.6,;-3.51,.12,;-2.02,-.28,;-.94,.81,;-4.6,-.97,;-6.13,-.81,;-6.76,-2.22,;-5.61,-3.25,;-5.61,-4.79,;-4.28,-5.56,;-2.95,-4.79,;-1.48,-5.27,;-.58,-4.02,;-1.48,-2.77,;-2.95,-3.25,;-4.28,-2.48,;3.78,3.67,;4.18,2.19,;5.67,1.79,;6.76,2.88,;6.36,4.36,;4.87,4.76,)|
O[C@H](CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:7.10,1.0,wD:4.3,(1.93,5.56,;2.33,4.07,;1.24,2.98,;-.24,3.38,;-1.33,2.29,;-2.82,2.69,;-3.91,1.6,;-3.51,.12,;-2.02,-.28,;-.94,.81,;-4.6,-.97,;-6.13,-.81,;-6.76,-2.22,;-5.61,-3.25,;-5.61,-4.79,;-4.28,-5.56,;-2.95,-4.79,;-1.48,-5.27,;-.58,-4.02,;-1.48,-2.77,;-2.95,-3.25,;-4.28,-2.48,;3.78,3.67,;4.18,2.19,;5.67,1.79,;6.76,2.88,;6.36,4.36,;4.87,4.76,)|
O[C@@H](CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:7.10,wD:4.3,1.0,(1.92,5.56,;2.31,4.07,;1.22,2.98,;-.26,3.38,;-1.35,2.29,;-2.84,2.69,;-3.93,1.6,;-3.53,.12,;-2.04,-.28,;-.95,.81,;-4.62,-.97,;-6.15,-.81,;-6.78,-2.22,;-5.63,-3.25,;-5.63,-4.79,;-4.3,-5.56,;-2.96,-4.79,;-1.5,-5.27,;-.59,-4.02,;-1.5,-2.77,;-2.96,-3.25,;-4.3,-2.48,;3.8,3.67,;4.2,2.19,;5.69,1.79,;6.78,2.88,;6.38,4.36,;4.89,4.76,)|
Clc1ccc(NC2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |(6.23,2.53,;4.74,2.93,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-.41,1.55,;-1.5,.46,;-2.98,.86,;-3.38,2.35,;-2.29,3.44,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|
Fc1ccc(NC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.06,3.98,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|
Fc1ccc(CNC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(7.52,2.82,;6.03,3.22,;4.94,2.13,;3.46,2.53,;3.06,4.02,;1.57,4.42,;.48,3.33,;-1.01,3.73,;-1.41,5.21,;-2.1,2.64,;-3.58,3.04,;-4.67,1.95,;-4.27,.46,;-2.79,.06,;-1.7,1.15,;-5.36,-.63,;-6.89,-.47,;-7.52,-1.87,;-6.38,-2.9,;-6.38,-4.44,;-5.04,-5.21,;-3.71,-4.44,;-2.24,-4.92,;-1.34,-3.67,;-2.24,-2.43,;-3.71,-2.9,;-5.04,-2.13,;4.15,5.11,;5.63,4.71,)|
Fc1ccc(CCNC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(7.47,6.79,;6.38,5.71,;6.78,4.22,;5.69,3.13,;4.2,3.53,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-1.35,3.63,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;3.8,5.02,;4.89,6.1,)|
F[C@H]1CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,1.0,wD:8.8,(5.91,4.1,;4.58,3.33,;4.1,1.86,;2.56,1.86,;2.09,3.33,;3.33,4.23,;.6,3.73,;.2,5.21,;-.49,2.64,;-1.98,3.04,;-3.07,1.95,;-2.67,.46,;-1.18,.06,;-.09,1.15,;-3.76,-.63,;-5.29,-.47,;-5.91,-1.87,;-4.77,-2.9,;-4.77,-4.44,;-3.44,-5.21,;-2.1,-4.44,;-.64,-4.92,;.27,-3.67,;-.64,-2.43,;-2.1,-2.9,;-3.44,-2.13,)|
N#Cc1ccc(CN2CCC(CC2)c2ncn3cnc4[nH]ccc4c23)cc1
O=C(OCc1ccccc1)N1CCC(C1)c1nnn2cnc3[nH]ccc3c12
OC(CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(cc1)C(F)(F)F
N#CCOc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cn1
C(\C=C\c1ccco1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
Clc1n[nH]c2ccc(CN3CCC(CC3)c3nnn4cnc5[nH]ccc5c34)cc12
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc2nccnc2c1
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cocn1
FC(F)Oc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(cc1)-n1ccnc1
Fc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C#N
Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N
Fc1cc(cc(F)c1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F
O=C1COc2ccc(CN3CCC(CC3)c3nnn4cnc5[nH]ccc5c34)cc2N1
CN(CCC#N)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
FC1(F)Oc2ccc(CN3CCC(CC3)c3nnn4cnc5[nH]ccc5c34)cc2O1
Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)o1
FC1(F)Oc2cccc(CN3CCC(CC3)c3nnn4cnc5[nH]ccc5c34)c2O1
N#C\C(=C/N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1
Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c(Cl)n1
c6ccc5sc(CN4CCC(c2nnn3cnc1[nH]ccc1c23)CC4)cc5c6
Brc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)sc1Br
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cnc(s1)N1CCOCC1
Clc1ccc(cc1)C(=C\N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)\C#N
Cc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
Brc1csc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1
Brc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccncc1
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cscn1
NC(=O)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
N#Cc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N
FC(F)(F)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N
FC(F)(F)c1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C#N
CC(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1
N#CCN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
Clc1cc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C#N |r,wU:9.12,wD:6.5,(2.66,6.7,;3.06,5.21,;1.97,4.13,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;3.85,2.24,;4.94,3.33,;4.55,4.82,;5.63,5.91,;6.72,6.99,)|
N#Cc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)c2ccccc12 |r,wU:11.14,wD:8.7,(6.67,6.99,;5.58,5.91,;4.49,4.82,;3,5.21,;1.92,4.13,;2.31,2.64,;1.22,1.55,;-.26,1.95,;-1.35,.86,;-2.84,1.26,;-3.93,.17,;-3.53,-1.32,;-2.04,-1.72,;-.95,-.63,;-4.62,-2.41,;-6.15,-2.25,;-6.78,-3.65,;-5.63,-4.68,;-5.63,-6.22,;-4.3,-6.99,;-2.96,-6.22,;-1.5,-6.7,;-.59,-5.45,;-1.5,-4.21,;-2.96,-4.68,;-4.3,-3.91,;3.8,2.24,;4.2,.75,;5.69,.35,;6.78,1.44,;6.38,2.93,;4.89,3.33,)|
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O=C1SCCC1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,wD:8.8,(5.7,2.3,;4.93,3.63,;5.41,5.1,;4.16,6,;2.91,5.1,;3.39,3.63,;2.3,2.54,;.81,2.94,;-.28,1.85,;-1.76,2.25,;-2.85,1.16,;-2.45,-.33,;-.97,-.72,;.12,.36,;-3.54,-1.41,;-5.07,-1.25,;-5.7,-2.66,;-4.56,-3.69,;-4.56,-5.23,;-3.22,-6,;-1.89,-5.23,;-.42,-5.71,;.48,-4.46,;-.42,-3.22,;-1.89,-3.69,;-3.22,-2.92,)|
C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CCSC1 |r,wU:4.7,wD:1.0,(1.33,4.05,;.24,2.96,;-1.25,3.36,;-2.34,2.27,;-1.94,.78,;-.45,.38,;.64,1.47,;-3.03,-.31,;-4.56,-.15,;-5.19,-1.55,;-4.04,-2.58,;-4.04,-4.12,;-2.71,-4.89,;-1.37,-4.12,;.09,-4.6,;1,-3.35,;.09,-2.11,;-1.37,-2.58,;-2.71,-1.81,;2.82,3.65,;3.72,4.89,;5.19,4.42,;5.19,2.88,;3.72,2.4,)|
FC(F)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.83,5.16,;4.74,4.07,;5.14,2.58,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|
FC(F)(F)CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(4.69,5.91,;5.09,4.42,;6.58,4.02,;6.18,5.51,;4,3.33,;2.51,3.73,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|
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FC(F)(F)C1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:12.15,wD:9.8,(6.58,3.62,;5.49,2.53,;5.89,1.04,;6.98,2.13,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-3.04,3.44,;-4.13,2.35,;-3.73,.86,;-2.24,.46,;-1.15,1.55,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|
N#CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(6.03,4.02,;4.55,4.42,;3.06,4.82,;1.97,3.73,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,)|
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NC(=O)C1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:11.14,wD:8.7,(6.78,3.62,;5.69,2.53,;6.09,1.04,;4.2,2.93,;3.11,1.84,;1.62,2.24,;1.22,3.73,;-.26,4.13,;-1.35,3.04,;-2.84,3.44,;-3.93,2.35,;-3.53,.86,;-2.04,.46,;-.95,1.55,;-4.62,-.23,;-6.15,-.07,;-6.78,-1.48,;-5.63,-2.51,;-5.63,-4.05,;-4.3,-4.82,;-2.96,-4.05,;-1.5,-4.52,;-.59,-3.28,;-1.5,-2.03,;-2.96,-2.51,;-4.3,-1.74,;2.31,4.82,;3.8,4.42,)|
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N#CCc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(7.67,5.65,;6.18,6.05,;4.69,6.45,;3.6,5.36,;4,3.87,;2.91,2.78,;1.42,3.18,;.34,2.09,;-1.15,2.49,;-2.24,1.4,;-3.73,1.8,;-4.82,.71,;-4.42,-.77,;-2.93,-1.17,;-1.84,-.08,;-5.51,-1.86,;-7.04,-1.7,;-7.67,-3.11,;-6.52,-4.14,;-6.52,-5.68,;-5.19,-6.45,;-3.85,-5.68,;-2.39,-6.16,;-1.48,-4.91,;-2.39,-3.66,;-3.85,-4.14,;-5.19,-3.37,;1.03,4.67,;2.11,5.76,)|
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OC[C@@H]1CCCN1C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,wD:8.8,2.1,(4.41,6.18,;3.32,5.09,;3.72,3.61,;5.19,3.13,;5.19,1.59,;3.72,1.11,;2.82,2.36,;1.33,2.76,;.24,1.67,;-1.25,2.07,;-2.34,.98,;-1.94,-.51,;-.45,-.91,;.64,.18,;-3.03,-1.6,;-4.56,-1.44,;-5.19,-2.84,;-4.04,-3.87,;-4.04,-5.41,;-2.71,-6.18,;-1.37,-5.41,;.09,-5.89,;1,-4.64,;.09,-3.4,;-1.37,-3.87,;-2.71,-3.1,)|
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FC(F)(Br)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(4.94,2.58,;4.55,4.07,;5.63,5.16,;6.03,3.67,;3.06,4.47,;1.97,3.38,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,)|
COc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(8.06,3.97,;6.98,2.88,;5.49,3.28,;4.4,2.19,;2.91,2.58,;2.51,4.07,;1.03,4.47,;-.06,3.38,;-1.55,3.78,;-2.64,2.69,;-4.13,3.09,;-5.22,2,;-4.82,.51,;-3.33,.12,;-2.24,1.2,;-5.91,-.58,;-7.44,-.41,;-8.06,-1.82,;-6.92,-2.85,;-6.92,-4.39,;-5.59,-5.16,;-4.25,-4.39,;-2.79,-4.87,;-1.88,-3.62,;-2.79,-2.38,;-4.25,-2.85,;-5.59,-2.08,;3.6,5.16,;5.09,4.76,)|
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CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(5.29,4.42,;3.8,4.82,;2.71,3.73,;1.22,4.13,;.14,3.04,;-1.35,3.44,;-2.44,2.35,;-2.04,.86,;-.55,.46,;.53,1.55,;-3.13,-.23,;-4.66,-.07,;-5.29,-1.48,;-4.14,-2.51,;-4.14,-4.05,;-2.81,-4.82,;-1.48,-4.05,;-.01,-4.52,;.89,-3.28,;-.01,-2.03,;-1.48,-2.51,;-2.81,-1.74,)|
CC(C)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
CC(C)(C)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
C#CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(6.03,4.02,;4.55,4.42,;3.06,4.82,;1.97,3.73,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,)|
C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CCC(CC1)N1CCOCC1 |r,wU:4.7,wD:1.0,(-1.22,4.13,;-2.31,3.04,;-3.79,3.44,;-4.88,2.35,;-4.48,.86,;-3,.46,;-1.91,1.55,;-5.57,-.23,;-7.1,-.07,;-7.73,-1.48,;-6.59,-2.51,;-6.59,-4.05,;-5.25,-4.82,;-3.92,-4.05,;-2.45,-4.52,;-1.55,-3.28,;-2.45,-2.03,;-3.92,-2.51,;-5.25,-1.74,;.27,3.73,;1.36,4.82,;2.85,4.42,;3.26,2.93,;2.17,1.84,;.69,2.24,;4.75,2.54,;5.16,1.05,;6.65,.66,;7.73,1.76,;7.32,3.24,;5.84,3.63,)|
CC(C)(C)OC(=O)N1CCC(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:17.20,wD:14.13,(8.46,2.08,;8.06,3.57,;9.15,4.66,;9.55,3.17,;6.58,3.97,;5.49,2.88,;5.89,1.39,;4,3.28,;2.91,2.19,;1.42,2.58,;1.03,4.07,;-.46,4.47,;-1.55,3.38,;-3.04,3.78,;-4.13,2.69,;-5.61,3.09,;-6.7,2,;-6.31,.51,;-4.82,.12,;-3.73,1.2,;-7.39,-.58,;-8.93,-.41,;-9.55,-1.82,;-8.41,-2.85,;-8.41,-4.39,;-7.07,-5.16,;-5.74,-4.39,;-4.28,-4.87,;-3.37,-3.62,;-4.28,-2.38,;-5.74,-2.85,;-7.07,-2.08,;2.11,5.16,;3.6,4.76,)|
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FC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:8.11,wD:5.4,(5.8,2.92,;4.31,3.32,;2.98,2.55,;2.21,3.89,;.72,4.29,;-.37,3.2,;-1.86,3.6,;-2.95,2.51,;-2.55,1.02,;-1.06,.62,;.03,1.71,;-3.64,-.07,;-5.17,.09,;-5.8,-1.32,;-4.65,-2.35,;-4.65,-3.89,;-3.32,-4.66,;-1.98,-3.89,;-.52,-4.36,;.39,-3.12,;-.52,-1.87,;-1.98,-2.35,;-3.32,-1.58,;3.54,4.66,)|
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FC(F)(F)C(F)(F)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.38,4.76,;5.29,3.67,;5.69,2.19,;6.78,3.28,;3.8,4.07,;4.89,5.16,;4.2,2.58,;2.31,4.47,;1.22,3.38,;-.26,3.78,;-1.35,2.69,;-2.84,3.09,;-3.93,2,;-3.53,.51,;-2.04,.12,;-.95,1.2,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
OC(CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:8.11,wD:5.4,(4.4,1.84,;4,3.33,;2.51,3.73,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,;5.09,4.42,;4.69,5.91,;6.58,4.02,;6.18,5.51,)|
C(NC1CSC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(1.2,3.36,;2.69,2.96,;3.78,4.05,;5.32,4.05,;5.32,5.59,;3.78,5.59,;.11,2.27,;-1.38,2.67,;-2.47,1.58,;-2.07,.09,;-.58,-.31,;.51,.78,;-3.16,-1,;-4.69,-.84,;-5.32,-2.25,;-4.17,-3.28,;-4.17,-4.82,;-2.84,-5.59,;-1.5,-4.82,;-.04,-5.29,;.87,-4.05,;-.04,-2.8,;-1.5,-3.28,;-2.84,-2.51,)|
CCS(=O)(=O)N1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:13.16,wD:10.9,(7.52,3.22,;6.03,3.62,;4.94,2.53,;4.55,1.04,;6.28,1.76,;3.46,2.93,;2.37,1.84,;.88,2.24,;.48,3.73,;-1.01,4.13,;-2.1,3.04,;-3.58,3.44,;-4.67,2.35,;-4.27,.86,;-2.79,.46,;-1.7,1.55,;-5.36,-.23,;-6.89,-.07,;-7.52,-1.48,;-6.38,-2.51,;-6.38,-4.05,;-5.04,-4.82,;-3.71,-4.05,;-2.24,-4.52,;-1.34,-3.28,;-2.24,-2.03,;-3.71,-2.51,;-5.04,-1.74,;1.57,4.82,;3.06,4.42,)|
OC(CNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccccc1)C(F)(F)F |r,wU:9.12,wD:6.5,(3.06,1.3,;3.46,2.78,;1.97,3.18,;.88,2.09,;-.61,2.49,;-1.01,3.98,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,;4.79,2.01,;6.12,2.78,;4.79,.47,;6.12,1.24,)|
OC(CNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccc(F)cc1)C(F)(F)F |r,wU:9.12,wD:6.5,(2.71,.95,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-1.35,3.63,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;4.2,3.53,;5.69,3.13,;6.78,4.22,;6.38,5.71,;7.47,6.79,;4.89,6.1,;3.8,5.02,;4.44,1.67,;5.78,2.44,;4.44,.13,;5.78,.9,)|
NC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4,3.33,;2.51,3.73,;2.11,5.21,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-.75,.46,;.73,.06,;1.82,1.15,;-1.84,-.63,;-3.37,-.47,;-4,-1.87,;-2.86,-2.9,;-2.86,-4.44,;-1.52,-5.21,;-.19,-4.44,;1.28,-4.92,;2.18,-3.67,;1.28,-2.43,;-.19,-2.9,;-1.52,-2.13,)|
Cc1ccc(CNC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)o1 |r,wU:12.15,wD:9.8,(7.14,5.39,;5.81,4.62,;5.81,3.08,;4.34,2.6,;3.44,3.85,;1.95,4.25,;.86,3.16,;-.63,3.56,;-1.03,5.04,;-1.72,2.47,;-3.2,2.86,;-4.29,1.78,;-3.89,.29,;-2.41,-.11,;-1.32,.98,;-4.98,-.8,;-6.51,-.64,;-7.14,-2.05,;-6,-3.08,;-6,-4.62,;-4.66,-5.39,;-3.33,-4.62,;-1.86,-5.09,;-.96,-3.85,;-1.86,-2.6,;-3.33,-3.08,;-4.66,-2.31,;4.34,5.09,)|
O=C(NCc1ccc(cc1)C#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:15.19,wD:12.12,(-2.15,5.21,;-1.75,3.73,;-.26,3.33,;.83,4.42,;2.31,4.02,;2.71,2.53,;4.2,2.13,;5.29,3.22,;4.89,4.71,;3.4,5.11,;6.78,2.82,;8.26,2.42,;-2.84,2.64,;-4.33,3.04,;-5.42,1.95,;-5.02,.46,;-3.53,.06,;-2.44,1.15,;-6.11,-.63,;-7.64,-.47,;-8.26,-1.87,;-7.12,-2.9,;-7.12,-4.44,;-5.79,-5.21,;-4.45,-4.44,;-2.99,-4.92,;-2.08,-3.67,;-2.99,-2.43,;-4.45,-2.9,;-5.79,-2.13,)|
O=C(NC(C#N)c1ccccc1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:15.19,wD:12.12,(-.66,4.13,;-.26,2.64,;1.22,2.24,;2.31,3.33,;1.92,4.82,;1.52,6.3,;3.8,2.93,;4.2,1.44,;5.69,1.04,;6.78,2.13,;6.38,3.62,;4.89,4.02,;-1.35,1.55,;-2.84,1.95,;-3.93,.86,;-3.53,-.63,;-2.04,-1.03,;-.95,.06,;-4.62,-1.72,;-6.15,-1.56,;-6.78,-2.96,;-5.63,-3.99,;-5.63,-5.53,;-4.3,-6.3,;-2.96,-5.53,;-1.5,-6.01,;-.59,-4.76,;-1.5,-3.52,;-2.96,-3.99,;-4.3,-3.22,)|
Clc1ccc(CCNC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(7.47,6.79,;6.38,5.71,;6.78,4.22,;5.69,3.13,;4.2,3.53,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-1.35,3.63,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;3.8,5.02,;4.89,6.1,)|
O[C@H](CNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:9.12,wD:6.5,1.0,(3.85,1.3,;3.46,2.78,;1.97,3.18,;.88,2.09,;-.61,2.49,;-1.01,3.98,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,)|
FC(F)(F)CNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(4.94,2.53,;4.55,4.02,;5.63,5.11,;6.03,3.62,;3.06,4.42,;1.97,3.33,;.48,3.73,;.08,5.21,;-.61,2.64,;-2.1,3.04,;-3.18,1.95,;-2.79,.46,;-1.3,.06,;-.21,1.15,;-3.87,-.63,;-5.41,-.47,;-6.03,-1.87,;-4.89,-2.9,;-4.89,-4.44,;-3.55,-5.21,;-2.22,-4.44,;-.76,-4.92,;.15,-3.67,;-.76,-2.43,;-2.22,-2.9,;-3.55,-2.13,)|
O=C(NCC#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(.08,5.21,;.48,3.73,;1.97,3.33,;3.06,4.42,;4.55,4.02,;6.03,3.62,;-.61,2.64,;-2.1,3.04,;-3.18,1.95,;-2.79,.46,;-1.3,.06,;-.21,1.15,;-3.87,-.63,;-5.41,-.47,;-6.03,-1.87,;-4.89,-2.9,;-4.89,-4.44,;-3.55,-5.21,;-2.22,-4.44,;-.76,-4.92,;.15,-3.67,;-.76,-2.43,;-2.22,-2.9,;-3.55,-2.13,)|
O=C(NCCC#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(-.26,4.72,;.14,3.24,;1.62,2.84,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,)|
O=C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CC[C@@H](C1)C#N |r,wU:5.8,23.29,wD:2.1,(-.4,5,;-.01,3.52,;-1.09,2.43,;-2.58,2.83,;-3.67,1.74,;-3.27,.25,;-1.78,-.15,;-.7,.94,;-4.36,-.84,;-5.89,-.68,;-6.52,-2.09,;-5.37,-3.12,;-5.37,-4.66,;-4.04,-5.43,;-2.71,-4.66,;-1.24,-5.13,;-.34,-3.89,;-1.24,-2.64,;-2.71,-3.12,;-4.04,-2.35,;1.48,3.12,;2.39,1.87,;3.85,2.35,;3.85,3.89,;2.39,4.36,;5.19,4.66,;6.52,5.43,)|
O[C@H]1CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,1.0,wD:8.8,(5.85,4.87,;4.52,4.1,;4.52,2.56,;3.05,2.08,;2.15,3.33,;3.05,4.57,;.66,3.73,;.26,5.21,;-.43,2.64,;-1.92,3.04,;-3,1.95,;-2.61,.46,;-1.12,.06,;-.03,1.15,;-3.69,-.63,;-5.23,-.47,;-5.85,-1.87,;-4.71,-2.9,;-4.71,-4.44,;-3.37,-5.21,;-2.04,-4.44,;-.58,-4.92,;.33,-3.67,;-.58,-2.43,;-2.04,-2.9,;-3.37,-2.13,)|
O=C(NC1CC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(.83,4.87,;1.22,3.38,;2.71,2.98,;3.8,4.07,;5.29,4.47,;4.2,5.56,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
OCCNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.83,5.11,;4.74,4.02,;3.26,4.42,;2.17,3.33,;.68,3.73,;.28,5.21,;-.41,2.64,;-1.9,3.04,;-2.98,1.95,;-2.59,.46,;-1.1,.06,;-.01,1.15,;-3.68,-.63,;-5.21,-.47,;-5.83,-1.87,;-4.69,-2.9,;-4.69,-4.44,;-3.36,-5.21,;-2.02,-4.44,;-.56,-4.92,;.35,-3.67,;-.56,-2.43,;-2.02,-2.9,;-3.36,-2.13,)|
OC1CN(C1)C(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,wD:7.7,(5.8,2.37,;4.31,2.77,;2.98,2,;2.21,3.33,;3.54,4.1,;.72,3.73,;.32,5.21,;-.37,2.64,;-1.86,3.04,;-2.95,1.95,;-2.55,.46,;-1.06,.06,;.03,1.15,;-3.64,-.63,;-5.17,-.47,;-5.8,-1.87,;-4.65,-2.9,;-4.65,-4.44,;-3.32,-5.21,;-1.98,-4.44,;-.52,-4.92,;.39,-3.67,;-.52,-2.43,;-1.98,-2.9,;-3.32,-2.13,)|
O=C(NCCc1ccc(cc1)C#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:16.20,wD:13.13,(-1.9,3.09,;-1.5,1.6,;-.01,1.2,;1.08,2.29,;2.57,1.89,;3.66,2.98,;5.14,2.58,;6.23,3.67,;5.83,5.16,;4.35,5.56,;3.26,4.47,;6.92,6.25,;8.01,7.34,;-2.59,.51,;-4.07,.91,;-5.16,-.18,;-4.76,-1.66,;-3.28,-2.06,;-2.19,-.97,;-5.85,-2.75,;-7.38,-2.59,;-8.01,-4,;-6.87,-5.03,;-6.87,-6.57,;-5.53,-7.34,;-4.2,-6.57,;-2.73,-7.05,;-1.83,-5.8,;-2.73,-4.55,;-4.2,-5.03,;-5.53,-4.26,)|
O=C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CC(C1)C#N |r,wU:5.8,wD:2.1,(-.42,5.21,;-.03,3.73,;-1.12,2.64,;-2.6,3.04,;-3.69,1.95,;-3.29,.46,;-1.81,.06,;-.72,1.15,;-4.38,-.63,;-5.91,-.47,;-6.54,-1.87,;-5.4,-2.9,;-5.4,-4.44,;-4.06,-5.21,;-2.73,-4.44,;-1.26,-4.92,;-.36,-3.67,;-1.26,-2.43,;-2.73,-2.9,;-4.06,-2.13,;1.46,3.33,;2.23,2,;3.56,2.77,;2.79,4.1,;5.05,2.37,;6.54,1.97,)|
O=C(NCS(=O)(=O)c1ccccc1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:16.20,wD:13.13,(-1.01,3.98,;-.61,2.49,;.88,2.09,;1.97,3.18,;3.46,2.78,;3.06,1.3,;4.55,1.7,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,)|
Fc1ccc(cc1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:14.18,wD:11.11,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;2.51,4.67,;3.6,5.76,;1.82,2.09,;1.42,.61,;3.16,1.32,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,)|
O=S(=O)(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C1CC1 |r,wU:7.10,wD:4.3,(2.31,1.5,;2.71,2.98,;3.8,1.89,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,;3.8,4.07,;5.29,4.47,;4.2,5.56,)|
IC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
FC(F)(F)S(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;2.31,1.5,;4.05,2.21,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
[N-]=[N+]=NC[C@@H]4CC[C@@H](c2nnn3cnc1[nH]ccc1c23)CC4
CC(C)(O)c1cn(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)nn1 |r,wU:11.14,wD:8.7,(4.42,5.71,;5.19,4.37,;5.96,5.71,;6.52,3.6,;3.85,3.6,;2.39,4.08,;1.48,2.83,;-.01,3.23,;-1.09,2.14,;-2.58,2.54,;-3.67,1.45,;-3.27,-.03,;-1.78,-.43,;-.7,.66,;-4.36,-1.12,;-5.89,-.96,;-6.52,-2.37,;-5.37,-3.4,;-5.37,-4.94,;-4.04,-5.71,;-2.71,-4.94,;-1.24,-5.41,;-.34,-4.17,;-1.24,-2.92,;-2.71,-3.4,;-4.04,-2.63,;2.39,1.59,;3.85,2.06,)|
NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
O=C(CC#N)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(2.31,5.41,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,;1.62,2.84,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,)|
FC(F)(F)CC(=O)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,wD:9.8,(6.58,4.02,;5.09,4.42,;4.69,5.91,;6.18,5.51,;4,3.33,;2.51,3.73,;2.11,5.21,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|
Cc1c(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c(Cl)nn1CC(F)(F)F
N#Cc1ccc(CCN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
N#Cc1ccc(cc1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
Clc1c[nH]c2ncn3nnc(C4CCN(Cc5ccc(cc5)C#N)CC4)c3c12
O[C@H]1Cc2ccccc2[C@H]1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |r,wD:9.11,1.0,(1.95,-.14,;2.72,1.19,;4.25,1.36,;4.57,2.86,;5.91,3.63,;5.91,5.17,;4.57,5.94,;3.24,5.17,;3.24,3.63,;2.09,2.6,;.61,3,;-.48,1.91,;-.08,.42,;-1.17,-.67,;-2.66,-.27,;-3.06,1.22,;-1.97,2.31,;-3.75,-1.36,;-5.28,-1.19,;-5.91,-2.6,;-4.76,-3.63,;-4.76,-5.17,;-3.43,-5.94,;-2.09,-5.17,;-.63,-5.65,;.28,-4.4,;-.63,-3.16,;-2.09,-3.63,;-3.43,-2.86,)|
O[C@@H]1Cc2ccccc2[C@@H]1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.11,1.0,(1.95,-.14,;2.72,1.19,;4.25,1.36,;4.57,2.86,;5.91,3.63,;5.91,5.17,;4.57,5.94,;3.24,5.17,;3.24,3.63,;2.09,2.6,;.61,3,;-.48,1.91,;-.08,.42,;-1.17,-.67,;-2.66,-.27,;-3.06,1.22,;-1.97,2.31,;-3.75,-1.36,;-5.28,-1.19,;-5.91,-2.6,;-4.76,-3.63,;-4.76,-5.17,;-3.43,-5.94,;-2.09,-5.17,;-.63,-5.65,;.28,-4.4,;-.63,-3.16,;-2.09,-3.63,;-3.43,-2.86,)|
N#CCCN(CCC#N)C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(4.49,4.96,;3,5.36,;1.52,5.76,;.43,4.67,;.83,3.18,;2.31,2.78,;2.71,1.3,;4.2,.9,;5.69,.5,;-.26,2.09,;.14,.61,;-.95,-.48,;-2.44,-.08,;-2.84,1.4,;-1.75,2.49,;-3.53,-1.17,;-5.06,-1.01,;-5.69,-2.42,;-4.54,-3.45,;-4.54,-4.99,;-3.21,-5.76,;-1.88,-4.99,;-.41,-5.47,;.49,-4.22,;-.41,-2.97,;-1.88,-3.45,;-3.21,-2.68,)|
Fc1ccc(N[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:9.12,6.5,(6.23,2.53,;4.74,2.93,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-.41,1.55,;-1.5,.46,;-2.98,.86,;-3.38,2.35,;-2.29,3.44,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|
Fc1ccc(N[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:9.12,wD:6.5,(6.23,2.53,;4.74,2.93,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-2.29,3.44,;-3.38,2.35,;-2.98,.86,;-1.5,.46,;-.41,1.55,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|
FC(F)(Br)CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,6.5,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;.53,.81,;-.55,-.28,;-2.04,.12,;-2.44,1.6,;-1.35,2.69,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
FC(F)(Br)CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
FC(F)(F)C(F)(F)CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,9.8,(3.95,6.1,;4.35,4.62,;5.83,4.22,;5.43,5.71,;3.26,3.53,;4.74,3.13,;2.86,5.02,;2.17,2.44,;.68,2.84,;-.41,1.75,;-.01,.26,;-1.1,-.83,;-2.59,-.43,;-2.98,1.06,;-1.9,2.15,;-3.68,-1.52,;-5.21,-1.36,;-5.83,-2.76,;-4.69,-3.79,;-4.69,-5.33,;-3.36,-6.1,;-2.02,-5.33,;-.56,-5.81,;.35,-4.56,;-.56,-3.32,;-2.02,-3.79,;-3.36,-3.02,)|
FC(F)(F)C(F)(F)CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,wD:9.8,(3.95,6.1,;4.35,4.62,;5.83,4.22,;5.43,5.71,;3.26,3.53,;4.74,3.13,;2.86,5.02,;2.17,2.44,;.68,2.84,;-.41,1.75,;-1.9,2.15,;-2.98,1.06,;-2.59,-.43,;-1.1,-.83,;-.01,.26,;-3.68,-1.52,;-5.21,-1.36,;-5.83,-2.76,;-4.69,-3.79,;-4.69,-5.33,;-3.36,-6.1,;-2.02,-5.33,;-.56,-5.81,;.35,-4.56,;-.56,-3.32,;-2.02,-3.79,;-3.36,-3.02,)|
FC(F)(F)CNC(=O)CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,10.9,(6.92,5.45,;5.83,4.36,;6.23,2.88,;7.32,3.97,;4.35,4.76,;3.26,3.67,;1.77,4.07,;1.37,5.56,;.68,2.98,;-.81,3.38,;-1.9,2.29,;-1.5,.81,;-2.59,-.28,;-4.07,.12,;-4.47,1.6,;-3.38,2.69,;-5.16,-.97,;-6.69,-.81,;-7.32,-2.22,;-6.18,-3.25,;-6.18,-4.79,;-4.84,-5.56,;-3.51,-4.79,;-2.04,-5.27,;-1.14,-4.02,;-2.04,-2.77,;-3.51,-3.25,;-4.84,-2.48,)|
FC(F)(F)CNC(=O)CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.92,5.45,;5.83,4.36,;6.23,2.88,;7.32,3.97,;4.35,4.76,;3.26,3.67,;1.77,4.07,;1.37,5.56,;.68,2.98,;-.81,3.38,;-1.9,2.29,;-3.38,2.69,;-4.47,1.6,;-4.07,.12,;-2.59,-.28,;-1.5,.81,;-5.16,-.97,;-6.69,-.81,;-7.32,-2.22,;-6.18,-3.25,;-6.18,-4.79,;-4.84,-5.56,;-3.51,-4.79,;-2.04,-5.27,;-1.14,-4.02,;-2.04,-2.77,;-3.51,-3.25,;-4.84,-2.48,)|
OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1cccnc1)C(F)(F)F |r,wU:4.3,wD:7.10,(7.37,-10.27,;5.87,-10.59,;5.55,-9.09,;4.08,-8.61,;3.76,-7.1,;2.3,-6.63,;1.98,-5.12,;3.12,-4.09,;4.59,-4.57,;4.91,-6.07,;2.8,-2.58,;1.4,-1.96,;1.56,-.43,;3.06,-.11,;3.83,1.23,;5.37,1.23,;6.14,-.11,;7.65,-.43,;7.81,-1.96,;6.4,-2.58,;5.37,-1.44,;3.83,-1.44,;6.19,-12.1,;5.04,-13.13,;5.36,-14.64,;6.83,-15.11,;7.97,-14.08,;7.65,-12.57,;4.36,-10.91,;2.86,-11.23,;4.68,-12.42,;4.04,-9.41,)|
CSc1ccc(cc1)C(O)(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:15.19,wD:12.12,(7.72,.4,;7.32,1.89,;5.83,2.29,;4.74,1.2,;3.26,1.6,;2.86,3.08,;3.95,4.17,;5.43,3.77,;1.37,3.48,;.28,4.57,;.28,2.39,;-1.21,2.79,;-2.29,1.7,;-3.78,2.1,;-4.87,1.01,;-4.47,-.47,;-2.98,-.87,;-1.9,.22,;-5.56,-1.56,;-7.09,-1.4,;-7.72,-2.81,;-6.57,-3.84,;-6.57,-5.38,;-5.24,-6.15,;-3.91,-5.38,;-2.44,-5.86,;-1.54,-4.61,;-2.44,-3.36,;-3.91,-3.84,;-5.24,-3.07,;2.14,4.82,;3.68,4.82,;1.37,6.15,;2.91,6.15,)|
COc1ccc(cn1)C(O)(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:15.19,wD:12.12,(7.72,.4,;7.32,1.89,;5.83,2.29,;5.43,3.77,;3.95,4.17,;2.86,3.08,;3.26,1.6,;4.74,1.2,;1.37,3.48,;.28,4.57,;.28,2.39,;-1.21,2.79,;-2.29,1.7,;-3.78,2.1,;-4.87,1.01,;-4.47,-.47,;-2.98,-.87,;-1.9,.22,;-5.56,-1.56,;-7.09,-1.4,;-7.72,-2.81,;-6.57,-3.84,;-6.57,-5.38,;-5.24,-6.15,;-3.91,-5.38,;-2.44,-5.86,;-1.54,-4.61,;-2.44,-3.36,;-3.91,-3.84,;-5.24,-3.07,;2.14,4.82,;3.68,4.82,;1.37,6.15,;2.91,6.15,)|
COc1ccc(cc1)C(O)(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:15.19,wD:12.12,(7.72,.4,;7.32,1.89,;5.83,2.29,;4.74,1.2,;3.26,1.6,;2.86,3.08,;3.95,4.17,;5.43,3.77,;1.37,3.48,;.28,4.57,;.28,2.39,;-1.21,2.79,;-2.29,1.7,;-3.78,2.1,;-4.87,1.01,;-4.47,-.47,;-2.98,-.87,;-1.9,.22,;-5.56,-1.56,;-7.09,-1.4,;-7.72,-2.81,;-6.57,-3.84,;-6.57,-5.38,;-5.24,-6.15,;-3.91,-5.38,;-2.44,-5.86,;-1.54,-4.61,;-2.44,-3.36,;-3.91,-3.84,;-5.24,-3.07,;2.14,4.82,;3.68,4.82,;1.37,6.15,;2.91,6.15,)|
Fc1ccc(cc1)[C@@H]1C[C@H]1CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:15.20,7.7,wD:12.13,9.11,(6.83,7.68,;6.06,6.35,;6.83,5.02,;6.06,3.68,;4.52,3.68,;3.75,5.02,;4.52,6.35,;3.75,2.35,;2.66,3.44,;2.26,1.95,;1.17,.86,;-.32,1.26,;-1.4,.17,;-2.89,.57,;-3.98,-.52,;-3.58,-2.01,;-2.09,-2.41,;-1.01,-1.32,;-4.67,-3.1,;-6.2,-2.94,;-6.83,-4.34,;-5.68,-5.37,;-5.68,-6.91,;-4.35,-7.68,;-3.02,-6.91,;-1.55,-7.39,;-.65,-6.14,;-1.55,-4.9,;-3.02,-5.37,;-4.35,-4.6,)|
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FC(F)(F)CN(CC1CC1)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:14.18,wD:11.11,(4.94,2.58,;4.55,4.07,;5.63,5.16,;6.03,3.67,;3.06,4.47,;1.97,3.38,;2.37,1.89,;1.28,.81,;-.21,.41,;.88,-.68,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,)|
OS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(4.42,4.82,;3.33,3.73,;2.94,2.24,;4.67,2.96,;1.85,4.13,;.76,3.04,;-.73,3.44,;-1.82,2.35,;-1.42,.86,;.07,.46,;1.16,1.55,;-2.51,-.23,;-4.04,-.07,;-4.67,-1.48,;-3.52,-2.51,;-3.52,-4.05,;-2.19,-4.82,;-.86,-4.05,;.61,-4.52,;1.51,-3.28,;.61,-2.03,;-.86,-2.51,;-2.19,-1.74,)|
O=S(=O)(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)NC1CC1 |r,wU:7.10,wD:4.3,(1.57,2.24,;1.97,3.73,;3.3,2.96,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,;3.06,4.82,;4.55,4.42,;5.63,3.33,;6.03,4.82,)|
CN(C)S(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;2.31,1.5,;4.05,2.21,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
O=S(=O)(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)NCC#N |r,wU:7.10,wD:4.3,(1.22,1.35,;1.62,2.84,;2.96,2.07,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,)|
FC(F)(F)CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.58,4.02,;5.09,4.42,;4.69,5.91,;6.18,5.51,;4,3.33,;2.51,3.73,;1.42,2.64,;1.03,1.15,;2.76,1.87,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|
FC(F)(F)COC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:13.16,wD:10.9,(6.39,-.45,;6,1.04,;7.08,2.13,;7.48,.64,;4.51,1.44,;4.11,2.92,;2.62,3.32,;1.29,2.55,;.52,3.89,;-.97,4.29,;-2.06,3.2,;-3.55,3.6,;-4.63,2.51,;-4.24,1.02,;-2.75,.62,;-1.66,1.71,;-5.33,-.07,;-6.86,.09,;-7.48,-1.32,;-6.34,-2.35,;-6.34,-3.89,;-5,-4.66,;-3.67,-3.89,;-2.21,-4.36,;-1.3,-3.12,;-2.21,-1.87,;-3.67,-2.35,;-5,-1.58,;1.85,4.66,)|
CC1(O)CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,(5.72,4.09,;4.39,3.32,;5.16,1.99,;3.05,2.55,;2.28,3.89,;.79,4.29,;-.29,3.2,;-1.78,3.6,;-2.87,2.51,;-2.47,1.02,;-.98,.62,;.1,1.71,;-3.56,-.07,;-5.09,.09,;-5.72,-1.32,;-4.57,-2.35,;-4.57,-3.89,;-3.24,-4.66,;-1.91,-3.89,;-.44,-4.36,;.46,-3.12,;-.44,-1.87,;-1.91,-2.35,;-3.24,-1.58,;3.62,4.66,)|
CN(C)C1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:10.13,wD:7.6,(6.34,4.01,;5.25,2.92,;5.65,1.44,;3.76,3.32,;2.43,2.55,;1.66,3.89,;.17,4.29,;-.92,3.2,;-2.4,3.6,;-3.49,2.51,;-3.09,1.02,;-1.61,.62,;-.52,1.71,;-4.18,-.07,;-5.71,.09,;-6.34,-1.32,;-5.2,-2.35,;-5.2,-3.89,;-3.86,-4.66,;-2.53,-3.89,;-1.06,-4.36,;-.16,-3.12,;-1.06,-1.87,;-2.53,-2.35,;-3.86,-1.58,;2.99,4.66,)|
CCN(C)C1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:11.14,wD:8.7,(7.08,3.61,;5.6,4.01,;4.51,2.92,;4.91,1.44,;3.02,3.32,;1.69,2.55,;.92,3.89,;-.57,4.29,;-1.66,3.2,;-3.15,3.6,;-4.24,2.51,;-3.84,1.02,;-2.35,.62,;-1.26,1.71,;-4.93,-.07,;-6.46,.09,;-7.08,-1.32,;-5.94,-2.35,;-5.94,-3.89,;-4.61,-4.66,;-3.27,-3.89,;-1.81,-4.36,;-.9,-3.12,;-1.81,-1.87,;-3.27,-2.35,;-4.61,-1.58,;2.25,4.66,)|
OC1(CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1)C(F)(F)F |r,wU:8.11,wD:5.4,(4.49,1.5,;3.72,2.83,;2.39,2.06,;1.62,3.4,;.13,3.8,;-.96,2.71,;-2.45,3.11,;-3.54,2.02,;-3.14,.53,;-1.65,.13,;-.56,1.22,;-4.23,-.56,;-5.76,-.4,;-6.39,-1.8,;-5.24,-2.83,;-5.24,-4.37,;-3.91,-5.14,;-2.57,-4.37,;-1.11,-4.85,;-.2,-3.6,;-1.11,-2.36,;-2.57,-2.83,;-3.91,-2.06,;2.95,4.17,;5.05,3.6,;6.39,2.83,;5.05,5.14,;6.39,4.37,)|
FC(F)(F)CNC(=O)C1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:15.18,wD:12.11,(8.37,3.54,;6.89,3.94,;6.49,5.42,;7.97,5.03,;5.8,2.85,;4.31,3.25,;3.22,2.16,;3.62,.67,;1.73,2.56,;.4,1.79,;-.37,3.12,;-1.86,3.52,;-2.95,2.43,;-4.44,2.83,;-5.52,1.74,;-5.13,.25,;-3.64,-.15,;-2.55,.94,;-6.21,-.84,;-7.75,-.68,;-8.37,-2.08,;-7.23,-3.11,;-7.23,-4.65,;-5.89,-5.42,;-4.56,-4.65,;-3.1,-5.13,;-2.19,-3.88,;-3.1,-2.64,;-4.56,-3.11,;-5.89,-2.34,;.96,3.89,)|
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CC(C)(C)OC(=O)N1CC(CC#N)(C1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:19.23,wD:16.16,(7.97,3.8,;6.89,2.71,;7.28,1.22,;8.37,2.31,;5.4,3.11,;4.31,2.02,;4.71,.53,;2.82,2.42,;1.49,1.65,;.72,2.98,;.32,4.47,;1.41,5.56,;2.5,6.65,;2.05,3.75,;-.37,1.89,;-1.86,2.29,;-2.95,1.2,;-4.44,1.6,;-5.52,.51,;-5.13,-.97,;-3.64,-1.37,;-2.55,-.28,;-6.21,-2.06,;-7.75,-1.9,;-8.37,-3.31,;-7.23,-4.34,;-7.23,-5.88,;-5.89,-6.65,;-4.56,-5.88,;-3.1,-6.35,;-2.19,-5.11,;-3.1,-3.86,;-4.56,-4.34,;-5.89,-3.57,)|
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N#CC(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C#N |r,wU:7.10,wD:4.3,(5.09,5.36,;4,4.27,;2.91,3.18,;1.42,3.58,;.34,2.49,;-1.15,2.89,;-2.24,1.8,;-1.84,.31,;-.36,-.08,;.73,1.01,;-2.93,-.77,;-4.46,-.61,;-5.09,-2.02,;-3.95,-3.05,;-3.95,-4.59,;-2.61,-5.36,;-1.28,-4.59,;.19,-5.07,;1.09,-3.82,;.19,-2.57,;-1.28,-3.05,;-2.61,-2.28,;3.31,1.7,;3.71,.21,)|
C=C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
N#CC=C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(4.74,3.67,;3.26,4.07,;1.77,4.47,;.68,3.38,;1.08,1.89,;-.01,.81,;-1.5,1.2,;-1.9,2.69,;-.81,3.78,;-2.59,.12,;-4.12,.28,;-4.74,-1.13,;-3.6,-2.16,;-3.6,-3.7,;-2.27,-4.47,;-.93,-3.7,;.53,-4.18,;1.44,-2.93,;.53,-1.69,;-.93,-2.16,;-2.27,-1.39,)|
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N#CC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4.74,3.67,;3.26,4.07,;1.77,4.47,;.68,3.38,;-.81,3.78,;-1.9,2.69,;-1.5,1.2,;-.01,.81,;1.08,1.89,;-2.59,.12,;-4.12,.28,;-4.74,-1.13,;-3.6,-2.16,;-3.6,-3.7,;-2.27,-4.47,;-.93,-3.7,;.53,-4.18,;1.44,-2.93,;.53,-1.69,;-.93,-2.16,;-2.27,-1.39,)|
CCOC(=O)C=C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
CC(C#N)=C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
CCOC(=O)CC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(5.83,5.16,;4.74,4.07,;3.26,4.47,;2.17,3.38,;2.57,1.89,;.68,3.78,;-.41,2.69,;-.01,1.2,;-1.1,.12,;-2.59,.51,;-2.98,2,;-1.9,3.09,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|
CC(C#N)[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,4.3,(1.37,5.21,;1.77,3.73,;3.26,3.33,;4.74,2.93,;.68,2.64,;1.08,1.15,;-.01,.06,;-1.5,.46,;-1.9,1.95,;-.81,3.04,;-2.59,-.63,;-4.12,-.47,;-4.74,-1.87,;-3.6,-2.9,;-3.6,-4.44,;-2.27,-5.21,;-.93,-4.44,;.53,-4.92,;1.44,-3.67,;.53,-2.43,;-.93,-2.9,;-2.27,-2.13,)|
CC(C#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(1.37,5.21,;1.77,3.73,;3.26,3.33,;4.74,2.93,;.68,2.64,;-.81,3.04,;-1.9,1.95,;-1.5,.46,;-.01,.06,;1.08,1.15,;-2.59,-.63,;-4.12,-.47,;-4.74,-1.87,;-3.6,-2.9,;-3.6,-4.44,;-2.27,-5.21,;-.93,-4.44,;.53,-4.92,;1.44,-3.67,;.53,-2.43,;-.93,-2.9,;-2.27,-2.13,)|
N#C\C=C\[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(5.09,5.36,;4,4.27,;2.91,3.18,;1.42,3.58,;.34,2.49,;-1.15,2.89,;-2.24,1.8,;-1.84,.31,;-.36,-.08,;.73,1.01,;-2.93,-.77,;-4.46,-.61,;-5.09,-2.02,;-3.95,-3.05,;-3.95,-4.59,;-2.61,-5.36,;-1.28,-4.59,;.19,-5.07,;1.09,-3.82,;.19,-2.57,;-1.28,-3.05,;-2.61,-2.28,)|
N#CCC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(5.09,5.36,;4,4.27,;2.91,3.18,;1.42,3.58,;.34,2.49,;-1.15,2.89,;-2.24,1.8,;-1.84,.31,;-.36,-.08,;.73,1.01,;-2.93,-.77,;-4.46,-.61,;-5.09,-2.02,;-3.95,-3.05,;-3.95,-4.59,;-2.61,-5.36,;-1.28,-4.59,;.19,-5.07,;1.09,-3.82,;.19,-2.57,;-1.28,-3.05,;-2.61,-2.28,)|
FC(F)(F)CNC(=O)C[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,9.8,(6.58,4.02,;5.09,4.42,;4.69,5.91,;6.18,5.51,;4,3.33,;2.51,3.73,;1.42,2.64,;1.82,1.15,;-.06,3.04,;-1.15,1.95,;-.75,.46,;-1.84,-.63,;-3.33,-.23,;-3.73,1.26,;-2.64,2.35,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|
FC(F)(F)CNC(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,wD:9.8,(6.58,4.02,;5.09,4.42,;4.69,5.91,;6.18,5.51,;4,3.33,;2.51,3.73,;1.42,2.64,;1.82,1.15,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|
O=C(C[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12)NCC#N |r,wU:6.9,3.2,(2.02,1.35,;1.62,2.84,;.14,3.24,;-.95,2.15,;-.55,.66,;-1.64,-.43,;-3.13,-.03,;-3.53,1.46,;-2.44,2.55,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,)|
O=C(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)NCC#N |r,wU:6.9,wD:3.2,(2.02,1.35,;1.62,2.84,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,)|
N#CC1CC11CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(4.94,2.78,;3.46,3.18,;1.97,3.58,;.88,4.67,;.48,3.18,;.88,1.7,;-.21,.61,;-1.7,1.01,;-2.1,2.49,;-1.01,3.58,;-2.79,-.08,;-4.32,.08,;-4.94,-1.33,;-3.8,-2.36,;-3.8,-3.9,;-2.47,-4.67,;-1.13,-3.9,;.33,-4.38,;1.24,-3.13,;.33,-1.88,;-1.13,-2.36,;-2.47,-1.59,)|
OC12CC3CC(C1)CC(C3)(C2)c1nnn2cnc3[nH]ccc3c12 |TLB:11:8:4:2.1.6,THB:7:8:2:4.5.6,7:5:2:8.10.9,10:8:4:2.1.6,10:1:4:8.7.9|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N
C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1 |r|
C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
Cc3cnc(Nc2ccc1CN(C)Cc1c2)nc3N5CC(CC#N)(N4CCC(CCF)CC4)C5
Cc3cnc(Nc2ccc1CN(C)Cc1c2)nc3N6CC(CC#N)(N4CCC5(CC4)CC5(F)F)C6
Cc3cnc(Nc2ccc1CN(C)Cc1c2)nc3N6CC(CC#N)(N4CCCC5(C4)CC5(F)F)C6
Cc3cnc(Nc2ccc1CN(C)Cc1c2)nc3N6CC(CC#N)(N4CCC5(CC4)CC5)C6
Cc3cnc(Nc2ccc(N1CCN(C)CC1)c(C(F)(F)F)c2)nc3N4CC5(C4)CC5(F)F
Cc2cnc(Nc1cccc(CN(C)C)c1)nc2N5CC(CC#N)(N3CCCC4(C3)CC4(F)F)C5
Cc2cnc(Nc1cccnc1)nc2N4CC(CC#N)(N3CCN(C)CC3)C4
Cc3cnc(Nc2ccc(N1CCOCC1)cc2)nc3N5CC(CC#N)(N4CCN(C)CC4)C5
Cc3cnc(Nc2ccc(N1CCOCC1)c(F)c2)nc3N5CC(CC#N)(N4CCCCC4)C5
Cc3cnc(Nc2ccc1CN(C)Cc1c2)nc3N5CC(CC#N)(N4CCC(F)(F)CC4)C5
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cccnc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
CN(C)CC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:6:10.9.8:13.12.14|
Cc5cc(Nc4cc1ncccc1c(N[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C(F)F)n4)n[nH]5
COCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:7:10.9:13.12.14|
CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:5:8.7:11.10.12|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cccnc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3ccccc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:5:12.11.13:7.9.8|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
CC(C)COC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CO)ccc12 |r,TLB:5:7:10.9:13.12.14|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCCOC3=O)c2c1 |r,TLB:28:27:24.23:20.26.21|
CNC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:5:9.8.7:12.11.13|
COC(=O)N1[C@@H]2CC[C@H]1C[C@H](Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)C2
COC(=O)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:5:8.7:11.10.12|
COC(=O)CCCN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:6:7:10.9:13.12.14|
CC(C)OC(=O)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:6:7:10.9:13.12.14|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(=O)OC(C)(C)C)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(N)=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
CNC(=O)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:5:8.7:11.10.12|
CN(C)C(=O)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:6:9.8:12.11.13|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC(F)(F)F)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(=O)N[C@@H]3CCOC3=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(=O)N[C@H]3CCOC3=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
CC(C)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:3:4:7.6:10.9.11|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
COCCCN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:5:8.7:11.10.12|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3cccnc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccncc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccc(O)cc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3cccc(O)c3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC3CCOCC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
CC(CC#N)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:1:5:8.7:11.10.12|
CCC(CC#N)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:6:9.8:12.11.13|
CC(CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12)C#N |r,TLB:2:3:6.5:9.8.10|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC3(CC3)C#N)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3(CC#N)COC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4[C@@H]3CCOC3=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4[C@H]3CCOC3=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCCOC3=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CCC(=O)O3)n2)n[nH]1 |r,TLB:23:22:19.18:16.15.21|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC3COC(=O)O3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
COC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:5:12.11.13:7.9.8|
COC(=O)CCN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:6:13.12.14:8.10.9|
COC(=O)CCCN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:6:7:14.13.15:9.11.10|
CC(C)OC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:6:7:14.13.15:9.11.10|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC(=O)OC(C)(C)C)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC(N)=O)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
CN(C)C(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:6:13.12.14:8.10.9|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCF)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCCF)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC(=O)N[C@@H]3CCOC3=O)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC(=O)N[C@H]3CCOC3=O)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
CC(C)CN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:3:4:11.10.12:6.8.7|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC(F)(F)F)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC(F)(F)F)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
COCCCN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:5:12.11.13:7.9.8|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3cccnc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3cccc(O)c3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccc(O)cc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4[C@@H]3CCOC3=O)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4[C@H]3CCOC3=O)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C3CCCOC3=O)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3cncc(c3)C#N)n2)n[nH]1 |THB:24:23:18.19.20:15.16.22|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccnc(c3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C[C@H]3CCC(=O)O3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC3COC(=O)O3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:4:7.6:10.9.11|
Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4C(=O)CCF)n2)n[nH]1
CC(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:3:5:8.7:11.10.12|
CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:6:9.8:12.11.13|
CN(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:6:9.8:12.11.13|
CCCC(SC)C(=O)N1[C@@H]2CC[C@H]1C[C@H](Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)C2
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3(CC3)C(=O)C(F)(F)F)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3(CC3)C(=O)C#N)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
COC(=O)C1(CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:7:9:12.11:15.14.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3(C)CCCC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)Cc3ccccc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccccc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccncc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccnc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
CCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:4:11.10.12:8.6.7|
CC(SO)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:6:13.12.14:10.8.9|
CCOCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:6:13.12.14:10.8.9|
CCC(SC)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:14.13.15:11.9.10|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C3(CC3)C(=O)C(F)(F)F)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C3(CC3)C(=O)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
COC(=O)C1(CC1)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:7:9:16.15.17:13.11.12|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C(C)(C)CO)n2)n[nH]1 |TLB:24:23:18.19.20:22.15.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C3(C)CCCC3)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)Cc3ccccc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)c3ccccc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)c3cncc(c3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)CCCC#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)c3ccc(nc3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
CC(CC#N)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:14.13.15:11.9.10|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)c3ccnc(c3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
CC(C)CCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:14.13.15:11.9.10|
CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:3:5:8.7:11.10.12|
CC(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:6:9.8:12.11.13|
CC(C)COC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:10.9:13.12.14|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
COCCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:10.9:13.12.14|
CCOC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:3:5:12.11.13:9.7.8|
CC(C)COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:14.13.15:11.9.10|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
COCCOC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:14.13.15:11.9.10|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC3CC3)n2)n[nH]1 |TLB:24:23:18.19.20:22.15.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
CCC(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:11.10.9:14.13.15|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC3CCCCO3)n2)n[nH]1 |TLB:24:23:18.19.20:22.15.16|
Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)CCC#N)n2)n[nH]1
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
CC(C)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:3:6:9.8:12.11.13|
CC(C)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:7:10.9:13.12.14|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)C3CC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)C3CCCC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CCC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
CCC1(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:8:11.10:14.13.15|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)C3(C)CC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)C3CNC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
CCN1CC(C1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:6:9:12.11:15.14.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)C3CN(CCC#N)C3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
COCC1CCCN1S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:8:11:14.13:17.16.18|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)Cc3ccccc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3ccccn3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
CC(C)CS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:7:11.10.9:14.13.15|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)C3CC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
COCCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:7:11.10.9:14.13.15|
CCC1(CC1)S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:8:12.11.10:15.14.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)C3CNC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)CC=C)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)CC3CC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)Cc3ccccc3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4S(=O)(=O)c3cnccc3C)n2)n[nH]1
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)Cc3cccnc3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CCCC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
COCC1CCCN1S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |TLB:8:11:13.14.15:17.18.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CCC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|
COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCC#N)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|
COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|
COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(C)C)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|
COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|
COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3(CC3)C(F)(F)F)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|
COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC=C)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|
COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|
COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|
COc1ccc2c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:17:16:13.12.11:8.15.9|
Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:25:24:21.20:18.17.23|
Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:25:24:21.20:17.23.18|
Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)n2)n[nH]1 |r,TLB:25:24:21.20:18.17.23|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|
CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCOCC3)ccc12 |r,TLB:2:5:8.7:11.10.12|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|
CC(C)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCOCC3)ccc12 |r,TLB:3:4:7.6:10.9.11|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CCC3)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCOCC3)ccc12 |r,TLB:2:5:9.8.7:12.11.13|
COCCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCOCC3)ccc12 |r,TLB:4:7:11.10.9:14.13.15|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4c3cccnc3)n2)n[nH]1
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4N3CCC3)n2)n[nH]1
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC(F)(F)F)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|
Cc1cc(Nc2cc3nc(CN4CCC(F)(F)CC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1 |r,TLB:32:31:28.27:24.30.25|
CCC1(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCC(F)(F)CC3)ccc12 |r,TLB:5:8:11.10:14.13.15|
Cc1cc(Nc2cc3nc(CN4CCC(F)(F)CC4)ccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)CC(F)(F)F)n2)n[nH]1
Cc1cc(Nc2cc3nc(CN4CCC(F)(F)CC4)ccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)CC(C)C)n2)n[nH]1
Cc1cc(Nc2cc3nc(CN4CCN(C)CC4)ccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)CC(F)(F)F)n2)n[nH]1
CCC1(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCN(C)CC3)ccc12 |THB:5:8:10.11:13.14.15|
CN1CCN(Cc2ccc3c(N[C@H]4C[C@@H]5CC[C@H](C4)N5CCC#N)nc(Nc4cc(C)[nH]n4)cc3n2)CC1 |r,TLB:20:19:16.15:12.18.13|
CC(C)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCN(C)CC3)ccc12 |r,TLB:3:4:7.6:10.9.11|
CN1CCN(Cc2ccc3c(N[C@H]4C[C@@H]5CC[C@H](C4)N5S(=O)(=O)N4CCC4)nc(Nc4cc(C)[nH]n4)cc3n2)CC1 |r,TLB:20:19:16.15:12.18.13|
CN1CCN(Cc2ccc3c(N[C@H]4C[C@@H]5CC[C@H](C4)N5S(=O)(=O)c4cncc(F)c4)nc(Nc4cc(C)[nH]n4)cc3n2)CC1 |r,TLB:20:19:16.15:12.18.13|
Cc1cc(Nc2cc3nc(CS(C)(=O)=O)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)n2)n[nH]1 |r,TLB:28:27:24.23:20.26.21|
C=S(C)(=O)Cc1ccc2c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4CCCF)nc(Nc3cc(C)[nH]n3)cc2n1
C=S(C)(=O)Cc1ccc2c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4CCC(F)(F)F)nc(Nc3cc(C)[nH]n3)cc2n1
Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:24:23:20.19:16.22.17|
Cc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3cccnc3)c2c1
CC(C)COC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(C)cc12 |r,TLB:5:7:10.9:13.12.14|
Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:24:23:20.19:16.22.17|
Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:24:23:20.19:16.22.17|
Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:25:24:21.20.19:16.23.17|
CC(C)COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(C)cc12 |r,TLB:5:7:11.10.9:14.13.15|
Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |THB:25:24:19.20.21:16.17.23|
Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:25:24:21.20.19:16.23.17|
Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3)n2)n[nH]1 |r,TLB:25:24:21.20.19:16.23.17|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCC#N)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(C)C)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC(F)(F)F)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC=C)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CCCC#N)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CCC#N)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CC3(CC3)C#N)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)Cc3ccncc3)c2c1 |r,TLB:26:25:19.18.24:22.21|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC(C)C)c2c1 |r,TLB:26:25:22.21:19.18.24|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCCF)c2c1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C(C)SO)c2c1 |THB:27:26:21.22.23:18.19.25|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3)c2c1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)c2c1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)CN(C)C)c2c1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)c2c1 |r,TLB:27:26:23.22.21:18.25.19|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)c2c1 |r,TLB:28:27:24.23:20.26.21|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)c2c1 |r,TLB:28:27:24.23:20.26.21|
CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(cc12)C(=O)OC |r,TLB:2:5:8.7:11.10.12|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCOC3=O)c2c1 |r,TLB:28:27:24.23:20.26.21|
CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(cc12)C(=O)OC |r,TLB:2:4:7.6:10.9.11|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C(F)F)c2c1 |r,TLB:28:27:21.20.26:24.23|
CCC(SC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(cc12)C(=O)OC |r,TLB:5:7:10.9:14.13.12|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN(C)C)c2c1 |r,TLB:28:27:24.23:20.26.21|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC=C)c2c1 |r,TLB:28:27:24.23:20.26.21|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(=O)OC(C)C)c2c1 |r,TLB:28:27:24.23:20.26.21|
CNC(=O)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(cc12)C(=O)OC |r,TLB:4:5:8.7:11.10.12|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)c2c1 |r,TLB:28:27:24.23:20.26.21|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)c2c1 |r,TLB:28:27:24.23:20.26.21|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC(F)(F)F)c2c1 |r,TLB:28:27:24.23:20.26.21|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CCC(=O)O3)c2c1 |r,TLB:28:27:24.23:20.26.21|
COC(=O)c1ccc2c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4CCC#N)nc(Nc3cc(C)[nH]n3)cc2n1
COC(=O)c1ccc2c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4C3CCCOC3=O)nc(Nc3cc(C)[nH]n3)cc2n1
COC(=O)c1ccc2c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4C[C@H]3CCC(=O)O3)nc(Nc3cc(C)[nH]n3)cc2n1
Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CC#N)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C(F)F)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
CCC(SC)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(cc12)S(C)(=O)=O |r,TLB:2:5:8.7:12.11.10|
Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC(F)(F)F)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4[C@@H]3CCOC3=O)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4[C@H]3CCOC3=O)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccncc3)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3)n2)S(C)(=O)=O)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC(C)C)c12 |r,TLB:27:26:23.22:19.25.20|
CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nccc(OC)c12 |r,TLB:2:5:8.7:11.10.12|
COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN(C)C)c12 |r,TLB:27:26:23.22:19.25.20|
CCC(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nccc(OC)c12 |r,TLB:4:6:9.8:12.11.13|
COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C(F)F)c12 |r,TLB:27:26:23.22:19.25.20|
COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)c12 |r,TLB:27:26:23.22:19.25.20|
COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)c12 |r,TLB:27:26:23.22:19.25.20|
COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)F)c12 |r,TLB:27:26:23.22:19.25.20|
COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)c12 |r,TLB:27:26:23.22:19.25.20|
COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3(CC#N)COC3)c12 |TLB:27:26:22.23:19.20.25|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)c3cccnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)c3cccnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|
CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)c(F)c2ncccc12 |r,TLB:2:5:8.7:11.10.12|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cccnc3)c3cccnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)c3cccnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)Cc3ccncc3)c3cccnc3c2F)n[nH]1 |THB:17:16:12.13:15.9.10|
CN(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)c(F)c2ncccc12 |r,TLB:4:6:9.8:12.11.13|
CC(SO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)c(F)c2ncccc12 |r,TLB:4:6:9.8:12.11.13|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:14.13.12:10.9.16|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3ccccc3)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:14.13.12:10.9.16|
Cc6cc(Nc5nc(N[C@@H]1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c3cccnc3)c4cccnc4c5F)n[nH]6
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)Cc3ccncc3)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|
CC(SO)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)c(F)c2ncccc12 |r,TLB:4:6:10.9.8:14.13.12|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cccnc3)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cccnc3)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|
CNC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(Br)cc2)n1
CC(C)(C)OC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cccc(Cn3nnc4ccccc34)c2)n1
CC(C)(C)OC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCS(=O)(=O)CC2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccncc2)n1
CC(C)(C)OC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCS(=O)(=O)CC2)n1
COC1(CCCCC1)c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:25.28,wD:28.32,(5.03,2.95,;3.7,2.18,;3.7,.64,;3.7,-.9,;5.03,-1.67,;6.36,-.9,;6.36,.64,;5.03,1.41,;2.16,.64,;1.25,1.88,;-.21,1.41,;-1.55,2.18,;-2.88,1.41,;-2.88,-.13,;-1.55,-.9,;-1.55,-2.44,;-.21,-3.21,;-.21,-4.75,;-1.55,-5.52,;-2.88,-4.75,;-4.22,-5.52,;-2.88,-3.21,;-.21,-.13,;1.25,-.61,;1.25,-2.15,;2.58,-2.92,;3.92,-2.15,;5.25,-2.92,;5.25,-4.46,;6.59,-5.23,;3.92,-5.23,;2.58,-4.46,;-4.22,2.18,;-5.68,1.7,;-6.59,2.95,;-5.68,4.19,;-6.45,5.52,;-4.22,3.72,)|
C[C@H]1C[C@@](CC#N)(CCN1C(=O)OC(C)(C)C)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
C[C@@H]1C[C@@](CC#N)(CCN1C(=O)OC(C)(C)C)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCS(=O)(=O)CC2)n1
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCCCC2)cc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCCCC1
CC(C)(C)OC(=O)N1CCC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CC(C)(C)OC(=O)C1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1 |(7,-1.12,;5.67,-1.89,;5.67,-3.43,;7,-2.66,;4.33,-1.12,;3,-1.89,;3,-3.43,;1.66,-1.12,;.18,-1.52,;-.91,-.43,;-.51,1.06,;-.51,2.6,;-1.28,3.93,;-2.05,5.26,;.97,1.46,;2.06,.37,;-2.05,1.06,;-2.96,2.3,;-4.42,1.83,;-5.51,2.92,;-5.11,4.4,;-7,2.52,;-4.42,.29,;-5.51,-.8,;-5.11,-2.29,;-6.2,-3.38,;-5.8,-4.87,;-4.32,-5.26,;-3.23,-4.18,;-3.63,-2.69,;-2.96,-.19,)|
CC(C)(C)OC(=O)NC1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1 |(6.58,-5.08,;5.24,-4.31,;3.91,-5.08,;5.24,-5.85,;5.24,-2.77,;3.91,-2,;2.58,-2.77,;3.91,-.46,;2.58,.31,;1.24,-.46,;-.09,.31,;-.09,1.85,;-.86,3.18,;-.09,4.52,;.68,5.85,;1.24,2.62,;2.58,1.85,;-1.63,1.85,;-2.54,3.1,;-4,2.62,;-5.09,3.71,;-6.58,3.31,;-4.69,5.2,;-4,1.08,;-5.09,-.01,;-4.69,-1.5,;-5.78,-2.59,;-5.38,-4.07,;-3.89,-4.47,;-2.81,-3.38,;-3.2,-1.9,;-2.54,.6,)|
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)COC1
NC(=O)c1cn(nc1Nc1ccccc1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:15.16,20.24,(-3.63,4.4,;-4.03,2.92,;-5.52,2.52,;-2.94,1.83,;-1.48,2.3,;-.57,1.06,;-1.48,-.19,;-2.94,.29,;-4.03,-.8,;-3.63,-2.29,;-4.72,-3.38,;-4.32,-4.87,;-2.84,-5.26,;-1.75,-4.18,;-2.15,-2.69,;.97,1.06,;.97,2.6,;.2,3.93,;-.57,5.26,;2.45,1.46,;2.85,-.03,;1.36,-.43,;4.19,-.8,;5.52,-1.57,)|
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@@]2(CC#N)C[C@@H](C2)C#N)cc1 |r,wU:17.17,wD:22.25,(5.29,2.16,;6.06,.83,;7.4,1.6,;6.83,-.51,;4.73,.06,;4.73,-1.48,;3.39,-2.25,;2.06,-1.48,;.73,-2.25,;-.61,-1.48,;-.61,.06,;-2.07,.53,;-2.98,-.71,;-2.07,-1.96,;-2.47,-3.45,;-1.38,-4.53,;-3.96,-3.84,;-2.84,1.87,;-1.3,1.87,;-.53,3.2,;.24,4.53,;-4.33,1.47,;-4.73,2.96,;-3.24,3.35,;-6.06,3.73,;-7.4,4.5,;2.06,.06,;3.39,.83,)|
CC(C)(C)OC(=O)N1CC2(C1)CC(CC#N)(C2)n1cc(C(N)=O)c(Nc2ccccc2)n1
COc1ccc(cc1OC)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cncc2ccccc12
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1ccnc2ccccc12
Cc1cc(ccn1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cncc(F)c1
COc1cc(ccn1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
CC(C)(O)c1cccc(n1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cncc(c1)C(F)(F)F
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1ccc(cc1)C(O)C(F)(F)F
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cccc(OCCO)n1
COc1cc(ccc1F)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
COc1cc(F)cc(c1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1ccc(OC(F)F)nc1
Cc1cc(cnc1C)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
CC(C)Oc1cccc(n1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
CCOc1cccc(n1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cccc(c1)C1CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cccc(n1)C#N
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1ccc(OC(F)F)cn1
Cc1cccc(n1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cncc(c1)C#N
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1ccc(F)nc1
COc1cccnc1N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cncnc1
COc1ncc(cn1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1ccc(cc1)C#N
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cccc(F)c1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1ccc(nc1)C(F)(F)F
Cc1ncccc1N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cccnc1
Cc1ccnc(c1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
Cc1ccc(F)cc1N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
Cc1ccncc1N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
Cc1ccc(cc1F)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
COC(=O)c1cccc(n1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
CCOc1ccc(cn1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
COc1cncc(c1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1ccc(F)cc1
Cc1ccc(cc1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cc(F)cc(F)c1
COc1ccccc1N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
Cc1cc(ccc1F)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
Cc1cccc(N2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)c1F
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cc(F)ccn1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1ccc(F)c(F)c1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1ccncc1
Cc1ncncc1N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
Cc1cncc(c1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
CC(C)(O)Cc1cccc(n1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cccc(CF)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cccnc1F
Cc1ccc(cn1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
COc1ccc(cn1)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cccc(F)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cc(ccn1)C(F)(F)F
Cc1cc(cnc1F)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1
CC(C)OC(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cccc(Cn3ccnc3)c2)n1
NC(=O)c1cn(nc1Nc1cccc(Cn2nnc3ccccc23)c1)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCOCC2)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cnc(nc2)C#N)n1
CC(C#N)C1(CCN(CC1)C(=O)OC(C)(C)C)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
CC(C)(C)OC(=O)N1CCC(CC1)(C(C#N)C1CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
CC(C)C1CCCN1c1nc(nc2nc(-c3cccc(C)c3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O
CC(C)(C)OC(=O)N1CC[C@@](CC#N)([C@H](F)C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCOCC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC2(CC1)OCCO2
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCC3(CC2)OCCO3)cc1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCSCC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCS(=O)(=O)CC1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
COC(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
CNC(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)C#N)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(nc2)C(C)(C)O)n1
CC(O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cn1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)C(C)(C)O)n1
CC(O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)C(=O)C(F)(F)F)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(nc2)C#N)n1
Cn1ccc(n1)-c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(N)c2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)F)n1
Cc1cc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)ccn1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(CO)c2)n1
COc1cc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)ccn1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(N)(=O)=O)n1
CN(C)S(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CN(C)C(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(c2)C(F)(F)F)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(C(=O)N3CCOCC3)c(F)c2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(C#N)c(F)c2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(c2)C(N)=O)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)c(F)c2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(Cl)c2)n1
Cc1noc(n1)-c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cc(Cl)nc(Cl)c2)n1
Cc1nc(no1)-c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(c2)C#N)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cccnc2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cncc(F)c2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cncc(Cl)c2)n1
NC(=O)c1cn(nc1Nc1ccc(OC2CCC2)nc1)C1(CC#N)CCN(CC1)C(=O)OCC(F)F
NC(=O)c1cn(nc1Nc1ccc(nc1)C1CCC1)C1(CC#N)CCN(CC1)C(=O)OCC(F)F
COc1cc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OCC(F)F)ccn1
NC(=O)c1cn(nc1Nc1ccc(nc1)C1CC1)C1(CC#N)CCN(CC1)C(=O)OCC(F)F
NC(=O)c1cn(nc1Nc1ccnc(c1)C1CC1)C1(CC#N)CCN(CC1)C(=O)OCC(F)F
CC(C)(O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OCC(F)(F)F)cn1
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F
NC(=O)c1cn(nc1Nc1ccc(nc1)C(O)C(F)(F)F)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F
NC(=O)c1cn(nc1Nc1cccc(c1)-c1cc[nH]n1)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F
Cn1cc(cn1)-c1cccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OCC(F)(F)F)c1
Cn1cc(cn1)-c1cncc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OCC(F)(F)F)c1
NC(=O)c1cn(nc1Nc1cccnc1)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F
NC(=O)c1cn(nc1Nc1cncc(F)c1)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F
NC(=O)c1cn(nc1Nc1cncc(Cl)c1)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F
Cn1cc(cn1)-c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OCC(F)(F)F)cn1
NC(=O)c1cn(nc1Nc1ccc(nc1)-c1cn[nH]c1)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cccc(Br)c2)n1
COC(=O)Cc1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cc(F)cc(F)c2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(nc2)N2CCOCC2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnnc2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc3C(=O)NCc3c2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccncn2)n1
Cc1cccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccn2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cn2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cc(F)ccn2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cccnn2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cnccn2)n1
Cc1cncc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)n1
COc1cccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)n1
Cc1cc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)nc(C)n1
Cc1cc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)ncn1
Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCC(O)CC5)cc4NC(=O)c23)cc1O
Cc1noc(C)c1-c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cccc(c2)-c2ccc(Cl)cc2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cccc(c2)-c2ccc(F)cc2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cccc(c2)-c2ccccc2)n1
COc1ccc(cc1)-c1cccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)c1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cccc(c2)-c2ccc(O)cc2)n1
Cc1ccc(cc1)-c1cccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)c1
Cc1ccccc1-c1cccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)c1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cccc(c2)-c2cccc(Cl)c2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cccc(c2)-c2ccc3ccccc3c2)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cccc(c2)-c2ccccc2F)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2cccc(c2)-c2ccccc2O)n1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(CC(O)=O)cc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(CC(F)(F)F)C1
CN1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccccc2)CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2cccnc2)CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2cccc(c2)C#N)CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2ccc(cc2)C#N)CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CCCC#N)CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2ccccc2Cl)CC1
Cc1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2cccc3ccccc23)CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC2CCCCC2)CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2ccc3OCOc3c2)CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2cccc(O)c2)CC1
CC(=O)Nc1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1
COc1ccc2cc(CN3CCC(CC#N)(CC3)n3cc(C(N)=O)c(Nc4ccccc4)n3)ccc2c1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2c(Cl)cccc2Cl)CC1
CSCCCN1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CCOc1ccccc1CN1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(C\C=C\c2ccccc2)CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2cccc(F)c2)CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2ccc(cc2)C(F)(F)F)CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2cc3ccccc3o2)CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2ccc(Cl)cc2F)CC1
CCCc1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2c(F)cccc2F)CC1
CC(C)c1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC#Cc2ccccc2)CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(Cc2c(F)ccc(F)c2F)CC1
CC(C)Oc1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1
Cc1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1C
COC(=O)c1ccccc1CN1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CCn1ccnc1CN1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cccnc2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC2CCCCC2)CC1
Cc1c[nH]c(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)n1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cn[nH]c2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC2CCCCC2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2ccccc2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccccc2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccccc2F)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cccc(F)c2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccc(F)cc2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cn3ccccc3n2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccn[nH]2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cnccn2)CC1
Cc1ncc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)s1
CC1(C)CC(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCO1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cnn3ccccc23)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccnc3[nH]ccc23)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccco2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccc3[nH]ccc3c2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cccc3cc[nH]c23)CC1
Cc1cnc(F)c(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)c1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cccnc2F)CC1
CC(C)(O)C1CC(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)C1 |(7.74,5.75,;6.97,4.41,;8.51,4.41,;7.74,3.08,;5.43,4.41,;4.34,3.32,;3.25,4.41,;1.71,4.41,;.94,3.08,;1.71,1.75,;.94,.41,;-.6,.41,;.17,-.92,;1.71,-.92,;3.25,-.92,;-1.37,1.75,;-.6,3.08,;-2.14,.41,;-3.04,1.66,;-4.51,1.18,;-5.84,1.95,;-7.18,1.18,;-5.84,3.49,;-4.51,-.36,;-5.84,-1.13,;-5.84,-2.67,;-4.51,-3.44,;-4.51,-4.98,;-5.84,-5.75,;-7.18,-4.98,;-8.51,-5.75,;-7.18,-3.44,;-3.04,-.83,;4.34,5.5,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cscn2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cocn2)CC1
Cc1cc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)no1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ncco2)CC1
Cn1nccc1CN1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
Cn1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)n1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccon2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cccc(F)n2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cccc3ccnn23)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cc3ccccn3n2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cccnn2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccc(F)cn2)CC1
COC1CC(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)C1 |(8.12,5.75,;7.35,4.41,;5.81,4.41,;4.73,3.32,;3.64,4.41,;2.1,4.41,;1.33,3.08,;2.1,1.75,;1.33,.41,;-.21,.41,;.56,-.92,;2.1,-.92,;3.64,-.92,;-.98,1.75,;-.21,3.08,;-1.75,.41,;-2.66,1.66,;-4.12,1.18,;-5.46,1.95,;-6.79,1.18,;-5.46,3.49,;-4.12,-.36,;-5.46,-1.13,;-5.46,-2.67,;-4.12,-3.44,;-4.12,-4.98,;-5.46,-5.75,;-6.79,-4.98,;-8.12,-5.75,;-6.79,-3.44,;-2.66,-.83,;4.73,5.5,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cncc(F)c2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cc3ccccc3[nH]2)CC1
Cc1c(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)cnn1C
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2nc3ccccc3[nH]2)CC1
CC1=NOC(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)C1 |t:1|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2cc3ccccc3[nH]2)CC1
Cc1cnc(F)c(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)c1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2ccon2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2cccc(F)n2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2cccnn2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2ccc(F)cn2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2cncc(F)c2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2cc(F)ccn2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2cccnc2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2cnccn2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2ccnc3[nH]ccc23)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2ccco2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2ccc3[nH]ccc3c2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2ccc3cc[nH]c3c2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2cccc3[nH]ccc23)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2cccc3cc[nH]c23)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccccc2Cl)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccc(O)cc2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cccc(Cl)c2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cccc(c2)C#N)CC1
COc1cccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)c1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CCc2ccccc2)CC1
COc1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)cc1
COc1ccccc1CN1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cccc(=O)[nH]2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccc(O)nc2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccc(cc2)C#N)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2cccc(O)c2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccc(Cl)cc2)CC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(Cc2ccccc2C#N)CC1
CC(N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)c1ccccc1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CCF)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC2CC2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1ccccn1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1ccncn1
COC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1
COCCOC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1
COC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OCc1ccccc1
COC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CC[C@@H](N)C5)cc4NC(=O)c23)cc1O |r|
CC(C)(CO)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F
CC(OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C(F)(F)F
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OC1CCC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OCC1CCC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OCC1CC1(F)F
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OCC(F)F
CC1(COC(=O)N2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OC(CF)CF
C[Si](C)(C)COC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)CO
CC(OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C1CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OCC1(O)CC1
C[C@@H](OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1cncc(F)c1)C1(CC#N)CCN(CC1)C(=O)OCC(F)F
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)OC1CCOC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)OC1CCOCC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OC1COC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OCC1CC1
CC1(COC(=O)N2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)COC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OCC1CCOCC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OCC1CCOC1
COCC(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
COC(C)COC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OC1CCCOC1
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1(CC#N)CCN(CC1)C(=O)OC1COC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)OCC(F)F
CC(C)COC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CC(C)(C)COC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OC1CCCC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OC1CCCCC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OCc1cccc(F)c1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OCc1ccccc1F
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OC1Cc2ccccc2C1
COCCOC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OC1CCOC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OC1CCOCC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OCc1ccccn1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OCc1cccnc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OCc1ccncc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OCCN1CCOCC1
CN1CCC(CC1)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CN1CCN(CCOC(=O)N2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccccc3)n2)CC1
CN1CCC(COC(=O)N2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccccc3)n2)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OCCC(F)(F)F
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)OC1CCOC1
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(c2)C#N)ccc1F |r|
C[C@H]1CN(CCN1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1Cl
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)OCC1CC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OCCF
CC(C)COC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OC1CCCC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OCc1ccccc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OCCc1cccc2ccccc12
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OCCN1CCOCC1
CC(C)(C)COC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OC1CCCCC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OCCc1ccccc1
COCCOC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CCOC(=O)COC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
COCCCOC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OC1CCOC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OC1CCOCC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OCCN1CCCC1=O
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OCc1cccnc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OCc1ccncc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OCCc1ccccn1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)OCCCc1cccnc1
COc1ccccc1COC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
COc1cccc(COC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)c1
CN(C)CCCOC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CN1CCN(CCOC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)CC1
CN1CCC(COC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)CC1
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CN(C2)C(=O)OC2CCCC2)cc1
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CN(C2)C(=O)OC2CCOC2)cc1
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CN(C2)C(=O)OC2CCOCC2)cc1
C[C@H](OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1)C1CC1 |r|
C[C@@H](OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1)C1CC1 |r|
CC(CO)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
CC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CCC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
C\C=C\C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)C1CC1
COCC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CC(C)(C)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CCCCC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CN(C)CC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)C1CCCO1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1ccccc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1cccnc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1ccccn1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1ccncc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1cnccn1
Cc1cc(no1)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)C1CCCCC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1cccs1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)CN1CCCC1=O
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1ccsc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)\C=C\c1cccnc1
COc1ccc(cc1)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1ccc(Cl)cc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1ccccc1Cl
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1cccc(Cl)c1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1cc2ccccc2[nH]1
CN(C)c1ccc(cc1)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
COc1ccc(CC(=O)N2CCC(CC#N)(CC2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1cccc2ccccc12
Cn1c(cc2ccccc12)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
COc1ccc(cc1OC)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1cccc(c1)N1CCOCC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1ccccc1-c1ccccc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)Cc1ccc(cc1)C(F)(F)F
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1ccc(cc1)N1CCOCC1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1ccc2ccccc2n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1
CN1CCN(CC1)c1ccc(cc1)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)CO
CCC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CC(C)(C)C(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)c1ccccn1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)CC1CCCO1
CC(F)(F)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
CC(CF)(CF)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
COCC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
CC(C)(O)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
Cn1cc(cn1)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)CC1CC1
CC(C)[C@@H](O)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |r|
CC(C)[C@H](O)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |r|
CC(C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1)C(F)(F)F
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)CC#N
CC(C)(O)CC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)C(C1CCC1)C(F)(F)F
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)Cn1ccnc1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)C1CC(F)(F)C1
CC(C)(C)CC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
CC(C)(C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1)C(F)(F)F
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)C1(CC1)C(F)(F)F
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)CCC(F)(F)F
CS(=O)(=O)CC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
CCC(F)(F)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
CC1(CCC1)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
CC(O)(C(F)F)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
C[C@@H](O)CC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)CC(F)(F)F
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)CC(F)(F)F
NC(=O)c1cn(nc1Nc1cncc(F)c1)C1(CC#N)CCN(CC1)C(=O)CC(F)(F)F
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)CC#N
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)CC#N)cc1
CC(C)S(=O)(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CS(=O)(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CCS(=O)(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)S(=O)(=O)c1ccco1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)S(=O)(=O)C(F)(F)F
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)S(=O)(=O)c1ccccc1
Cn1cnc(c1)S(=O)(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)S(=O)(=O)Cc1ccccc1
COc1ccc(cc1)S(=O)(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
COc1cccc(c1)S(=O)(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)S(=O)(=O)c1cccc(Cl)c1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)S(=O)(=O)c1ccccc1Cl
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)S(=O)(=O)C1CC1
CS(=O)(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)S(=O)(=O)c1ccco1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)S(=O)(=O)C(F)(F)F
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)S(=O)(=O)c1ccccc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)S(=O)(=O)Cc1ccccc1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)Nc1cccc(F)c1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)NC1CCCCC1
CC(C)NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Cc1ccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1C
CCCCNC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Cc1ccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1
CC(C)c1ccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1
CC(C)c1ccccc1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CCOC(=O)C(C)NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)Nc1cc(F)ccc1F
Cc1cccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)c1
Cc1cc(C)c(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)c(C)c1
Cc1ccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1Cl
Cc1cc(Cl)ccc1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)Nc1ccc(cc1)C#N
Cc1ccc(C)c(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)c1
Cc1ccc(Cl)cc1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CCCNC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Cc1ccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)c(C)c1
Cc1cc(C)cc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)c1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)Nc1ccc(F)c(F)c1
Cc1c(Cl)cccc1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CCc1cccc(C)c1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Cc1cccc(Cl)c1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
COc1ccc(C)cc1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CCOc1ccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1
Cc1ccccc1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)Nc1ccc(F)cc1F
CC(C)(C)CC(C)(C)NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CCOc1ccccc1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Cc1cccc(C)c1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CC(=O)c1cccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)c1
C[C@@H](NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1)c1ccccc1 |r|
CCc1ccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1
CCc1cccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)c1
COc1ccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)c(C)c1
Cc1ccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1F
Cc1ccc(F)cc1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
CCc1ccccc1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)Nc1ccc(F)c(Cl)c1
Cc1ccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccc(cc3)S(C)(=O)=O)n2)cc1
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CN(C2)C(=O)Nc2cc(F)ccc2F)cc1
CCCCNC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1
CC(C)NC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1(CC#N)CCN(CC1)C(=O)Nc1ccc(cc1)C#N
CC(C)NC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)Nc1ccc(cc1)C#N
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)C1(CC#N)CCC(CC1)N1CC(F)C1 |(-6.12,5.39,;-6.12,3.85,;-7.46,3.08,;-4.79,3.08,;-3.33,3.56,;-2.42,2.31,;-3.33,1.06,;-4.79,1.54,;-6.12,.77,;-6.12,-.77,;-7.46,-1.54,;-7.46,-3.08,;-6.12,-3.85,;-6.12,-5.39,;-4.79,-3.08,;-4.79,-1.54,;-.88,2.31,;-2.06,3.3,;-1.79,4.82,;-1.53,6.33,;-.11,.98,;1.43,.98,;2.2,2.31,;1.43,3.64,;-.11,3.64,;3.74,2.31,;4.83,1.22,;5.92,2.31,;7.46,2.31,;4.83,3.4,)|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)C1(CC#N)CCC(CC1)N1CC(F)C1 |(4.72,5.14,;3.23,4.74,;2.14,5.83,;2.83,3.25,;1.37,2.78,;1.37,1.24,;2.83,.76,;3.74,2.01,;5.22,1.61,;5.62,.12,;7.11,-.28,;7.51,-1.77,;6.42,-2.85,;4.93,-2.46,;4.53,-.97,;6.82,-4.34,;5.73,-5.43,;8.31,-4.74,;7.22,-5.83,;.03,.47,;1.37,-.3,;1.37,-1.84,;1.37,-3.38,;-.74,-.87,;-2.28,-.87,;-3.05,.47,;-2.28,1.8,;-.74,1.8,;-4.59,.47,;-5.68,1.56,;-6.77,.47,;-8.31,.47,;-5.68,-.62,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CC[C@@H](CC1)NC1CCCCC1 |r,wU:22.27,(-4.75,12.92,;-5.15,11.43,;-6.64,11.03,;-4.06,10.34,;-2.52,10.34,;-2.05,8.88,;-3.29,7.97,;-4.54,8.88,;-5.87,8.11,;-5.87,6.57,;-7.21,5.8,;-7.21,4.26,;-5.87,3.49,;-5.87,1.95,;-4.54,4.26,;-4.54,5.8,;-.51,8.88,;-1.37,7.6,;-.69,6.22,;-.02,4.83,;.26,7.55,;1.8,7.55,;2.57,8.88,;1.8,10.21,;.26,10.21,;4.11,8.88,;4.9,10.21,;6.44,10.21,;7.21,11.55,;6.44,12.88,;4.9,12.88,;4.13,11.55,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CC[C@@H](CC1)NC1CCCCC1 |r,wD:22.27,(-4.75,12.92,;-5.15,11.43,;-6.64,11.03,;-4.06,10.34,;-2.52,10.34,;-2.05,8.88,;-3.29,7.97,;-4.54,8.88,;-5.87,8.11,;-5.87,6.57,;-7.21,5.8,;-7.21,4.26,;-5.87,3.49,;-5.87,1.95,;-4.54,4.26,;-4.54,5.8,;-.51,8.88,;-1.37,7.6,;-.69,6.22,;-.02,4.83,;.26,10.21,;1.8,10.21,;2.57,8.88,;1.8,7.55,;.26,7.55,;4.11,8.88,;4.9,10.21,;6.44,10.21,;7.21,11.55,;6.44,12.88,;4.9,12.88,;4.13,11.55,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(=O)CC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)Nc1cccc(F)c1 |(3.9,-5.21,;4.67,-3.88,;6.21,-3.88,;3.9,-2.55,;4.37,-1.08,;3.13,-.18,;1.88,-1.08,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-4.68,-2.04,;-2.8,-3.93,;-1.31,-4.33,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;1.79,.59,;.46,1.36,;.46,2.9,;1.79,3.67,;3.13,2.9,;-.87,3.67,;-2.21,2.9,;-2.21,1.36,;-3.54,.59,;-4.87,1.36,;-4.87,2.9,;-6.21,3.67,;-3.54,3.67,)|
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NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)NC1CCOCC1 |(6.21,2.23,;5.82,.75,;6.9,-.34,;4.33,.35,;3.85,-1.12,;2.31,-1.12,;1.84,.35,;3.08,1.25,;3.08,2.79,;1.75,3.56,;1.75,5.1,;.41,5.87,;-.92,5.1,;-2.25,5.87,;-.92,3.56,;.41,2.79,;1.22,-2.21,;1.62,-3.69,;.53,-4.78,;-.56,-5.87,;.82,-.72,;-.66,-.32,;-1.75,-1.41,;-1.35,-2.9,;.13,-3.3,;-3.24,-1.01,;-4.33,-2.1,;-5.82,-1.7,;-6.9,-2.79,;-6.51,-4.28,;-5.02,-4.68,;-3.93,-3.59,)|
CC1CNCC(N1C(=O)Cn1cnc(n1)C(C)(C)C)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)Nc1ccc(O)cc1 |(4.42,-5.21,;5.19,-3.88,;6.73,-3.88,;4.42,-2.55,;4.9,-1.08,;3.65,-.18,;2.41,-1.08,;2.88,-2.55,;1.79,-3.64,;.31,-3.24,;-.09,-1.75,;-1.58,-1.35,;-2.67,-2.44,;-2.27,-3.93,;-.78,-4.33,;-4.16,-2.04,;-5.64,-1.64,;-3.76,-.55,;-5.25,-3.13,;-6.73,-2.73,;-4.85,-4.62,;3.65,1.36,;4.99,2.13,;4.99,3.67,;4.99,5.21,;2.32,.59,;.99,1.36,;.99,2.9,;2.32,3.67,;3.65,2.9,;-.35,3.67,;-1.68,2.9,;-3.02,3.67,;-4.35,2.9,;-4.35,1.36,;-5.68,.59,;-3.02,.59,;-1.68,1.36,)|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)Nc1cccnc1 |(4.42,-5.21,;5.19,-3.88,;6.73,-3.88,;4.42,-2.55,;4.9,-1.08,;3.65,-.18,;2.41,-1.08,;2.88,-2.55,;1.79,-3.64,;.31,-3.24,;-.09,-1.75,;-1.58,-1.35,;-2.67,-2.44,;-2.27,-3.93,;-.78,-4.33,;-4.16,-2.04,;-5.64,-1.64,;-4.93,-.71,;-5.25,-3.13,;-6.73,-2.73,;-4.85,-4.62,;3.65,1.36,;4.99,2.13,;4.99,3.67,;4.99,5.21,;2.32,.59,;.99,1.36,;.99,2.9,;2.32,3.67,;3.65,2.9,;-.35,3.67,;-1.68,2.9,;-3.02,3.67,;-4.35,2.9,;-4.35,1.36,;-3.02,.59,;-1.68,1.36,)|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)Nc1cccnc1 |(4.42,-5.21,;5.19,-3.88,;6.73,-3.88,;4.42,-2.55,;4.9,-1.08,;3.65,-.18,;2.41,-1.08,;2.88,-2.55,;1.79,-3.64,;.31,-3.24,;-.09,-1.75,;-1.58,-1.35,;-2.67,-2.44,;-2.27,-3.93,;-.78,-4.33,;-4.16,-2.04,;-5.64,-1.64,;-3.76,-.55,;-5.25,-3.13,;-6.73,-2.73,;-4.85,-4.62,;3.65,1.36,;4.99,2.13,;4.99,3.67,;4.99,5.21,;2.32,.59,;.99,1.36,;.99,2.9,;2.32,3.67,;3.65,2.9,;-.35,3.67,;-1.68,2.9,;-3.02,3.67,;-4.35,2.9,;-4.35,1.36,;-3.02,.59,;-1.68,1.36,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1cc(F)ccc1F |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-3.46,-3.93,;-4.55,-5.02,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-2.87,1.36,;-4.21,.59,;-4.21,-.95,;-5.54,1.36,;-5.54,2.9,;-4.21,3.67,;-4.21,5.21,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccccc1Cl |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-3.46,-3.93,;-4.55,-5.02,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-2.87,1.36,;-4.21,.59,;-5.54,1.36,;-5.54,2.9,;-4.21,3.67,;-4.21,5.21,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)Nc1ccccn1 |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-5.35,-2.04,;-3.46,-3.93,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-4.21,3.67,;-5.54,2.9,;-5.54,1.36,;-4.21,.59,;-2.87,1.36,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)N1CCC(O)CC1 |(6.61,1.46,;6.21,-.02,;7.3,-1.11,;4.73,-.42,;4.25,-1.89,;2.71,-1.89,;2.23,-.42,;3.48,.48,;3.48,2.02,;2.15,2.79,;.81,2.02,;-.52,2.79,;-.52,4.33,;.81,5.1,;.81,6.64,;2.15,4.33,;1.62,-2.98,;2.02,-4.46,;.93,-5.55,;-.16,-6.64,;1.22,-1.49,;-.26,-1.09,;-1.35,-2.18,;-.95,-3.67,;.53,-4.07,;-2.84,-1.78,;-3.24,-.29,;-4.73,.11,;-5.82,-.98,;-7.3,-.59,;-5.42,-2.47,;-3.93,-2.87,)|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)C(F)F)C1(CC#N)CCC(CC1)Nc1cccc(O)c1 |(4.42,-5.21,;5.19,-3.88,;6.73,-3.88,;4.42,-2.55,;4.9,-1.08,;3.65,-.18,;2.41,-1.08,;2.88,-2.55,;1.79,-3.64,;.31,-3.24,;-.09,-1.75,;-1.58,-1.35,;-2.67,-2.44,;-2.27,-3.93,;-.78,-4.33,;-4.16,-2.04,;-5.64,-1.64,;-5.25,-3.13,;-6.73,-2.73,;-4.85,-4.62,;3.65,1.36,;4.99,2.13,;4.99,3.67,;4.99,5.21,;2.32,.59,;.99,1.36,;.99,2.9,;2.32,3.67,;3.65,2.9,;-.35,3.67,;-1.68,2.9,;-1.68,1.36,;-3.02,.59,;-4.35,1.36,;-4.35,2.9,;-5.68,3.67,;-3.02,3.67,)|
CN(C1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1)c1ccccc1 |(-1.54,5.21,;-1.54,3.67,;-.21,2.9,;-.21,1.36,;1.13,.59,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;2.46,2.9,;1.13,3.67,;2.46,-.18,;3.71,-1.08,;3.23,-2.55,;4,-3.88,;3.23,-5.21,;5.54,-3.88,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-3.46,-3.93,;-4.55,-5.02,;-1.97,-4.33,;1.22,-1.08,;-2.87,2.9,;-4.21,3.67,;-5.54,2.9,;-5.54,1.36,;-4.21,.59,;-2.87,1.36,)|
CC(C)c1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccccc1F |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-3.46,-3.93,;-4.55,-5.02,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-2.87,1.36,;-4.21,.59,;-5.54,1.36,;-5.54,2.9,;-4.21,3.67,;-4.21,5.21,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)Nc1ccc(F)cc1 |(3.9,-5.21,;4.67,-3.88,;6.21,-3.88,;3.9,-2.55,;4.37,-1.08,;3.13,-.18,;1.88,-1.08,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-4.68,-2.04,;-2.8,-3.93,;-1.31,-4.33,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;1.79,.59,;.46,1.36,;.46,2.9,;1.79,3.67,;3.13,2.9,;-.87,3.67,;-2.21,2.9,;-3.54,3.67,;-4.87,2.9,;-4.87,1.36,;-6.21,.59,;-3.54,.59,;-2.21,1.36,)|
CC1CNCC(N1C(=O)Cn1cnc(C)n1)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccc(F)c(F)c1 |(3.9,-5.21,;4.67,-3.88,;6.21,-3.88,;3.9,-2.55,;4.37,-1.08,;3.13,-.18,;1.88,-1.08,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-2.8,-3.93,;-3.88,-5.02,;-1.31,-4.33,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;1.79,.59,;.46,1.36,;.46,2.9,;1.79,3.67,;3.13,2.9,;-.87,3.67,;-2.21,2.9,;-3.54,3.67,;-4.87,2.9,;-4.87,1.36,;-6.21,.59,;-3.54,.59,;-3.54,-.95,;-2.21,1.36,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)N1CCc2ccccc12
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NC1CCCCC1 |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-3.46,-3.93,;-4.55,-5.02,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-4.21,3.67,;-5.54,2.9,;-5.54,1.36,;-4.21,.59,;-2.87,1.36,)|
CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(C)n1)C(F)(F)F
CC(C)c1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C2CCO2)C(F)(F)F)n1
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)NC1CCOCC1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)N1CCC(O)CC1 |(6.61,2.23,;6.21,.75,;7.3,-.34,;4.73,.35,;4.25,-1.12,;2.71,-1.12,;2.23,.35,;3.48,1.25,;3.48,2.79,;2.15,3.56,;2.15,5.1,;.81,5.87,;-.52,5.1,;-1.85,5.87,;-.52,3.56,;.81,2.79,;1.62,-2.21,;2.02,-3.69,;.93,-4.78,;-.16,-5.87,;1.22,-.72,;-.26,-.32,;-1.35,-1.41,;-.95,-2.9,;.53,-3.3,;-2.84,-1.01,;-3.24,.48,;-4.73,.88,;-5.82,-.21,;-7.3,.18,;-5.42,-1.7,;-3.93,-2.1,)|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)C(F)F)C1(CC#N)CCC(CC1)NC1CCCCC1 |(4.42,-5.21,;5.19,-3.88,;6.73,-3.88,;4.42,-2.55,;4.9,-1.08,;3.65,-.18,;2.41,-1.08,;2.88,-2.55,;1.79,-3.64,;.31,-3.24,;-.09,-1.75,;-1.58,-1.35,;-2.67,-2.44,;-2.27,-3.93,;-.78,-4.33,;-4.16,-2.04,;-5.64,-1.64,;-5.25,-3.13,;-6.73,-2.73,;-4.85,-4.62,;3.65,1.36,;4.99,2.13,;4.99,3.67,;4.99,5.21,;2.32,.59,;.99,1.36,;.99,2.9,;2.32,3.67,;3.65,2.9,;-.35,3.67,;-1.68,2.9,;-3.02,3.67,;-4.35,2.9,;-4.35,1.36,;-3.02,.59,;-1.68,1.36,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1cccc(Cl)c1 |(3.9,-5.21,;4.67,-3.88,;6.21,-3.88,;3.9,-2.55,;4.37,-1.08,;3.13,-.18,;1.88,-1.08,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-2.8,-3.93,;-3.88,-5.02,;-1.31,-4.33,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;1.79,.59,;.46,1.36,;.46,2.9,;1.79,3.67,;3.13,2.9,;-.87,3.67,;-2.21,2.9,;-2.21,1.36,;-3.54,.59,;-4.87,1.36,;-4.87,2.9,;-6.21,3.67,;-3.54,3.67,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)N1CCc2ccccc12 |(5.17,-3.61,;3.68,-4.01,;3.28,-5.5,;2.59,-2.92,;1.13,-3.4,;.22,-2.15,;1.13,-.9,;2.59,-1.38,;3.93,-.61,;3.93,.93,;2.59,1.7,;2.59,3.24,;3.93,4.01,;5.26,3.24,;6.59,4.01,;5.26,1.7,;-1.27,-1.75,;-2.35,-2.84,;-3.84,-2.44,;-5.33,-2.04,;-2.75,-1.35,;-3.15,.13,;-2.06,1.22,;-.57,.82,;-.18,-.66,;-2.46,2.71,;-1.56,3.96,;-2.46,5.2,;-3.93,4.73,;-5.26,5.5,;-6.59,4.73,;-6.59,3.19,;-5.26,2.42,;-3.93,3.19,)|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)N1CCC(F)(F)CC1 |(.62,5.31,;-.47,4.22,;-1.96,4.62,;-.07,2.73,;-.98,1.49,;-.07,.24,;1.39,.72,;1.39,2.26,;2.73,3.03,;4.06,2.26,;4.06,.72,;5.39,-.05,;6.73,.72,;6.73,2.26,;5.39,3.03,;8.06,-.05,;9.4,.72,;9.4,-.82,;8.06,-1.59,;9.4,-2.36,;6.73,-2.36,;-.47,-1.25,;.62,-2.33,;.22,-3.82,;-.18,-5.31,;-1.56,-.16,;-3.05,-.56,;-3.45,-2.04,;-2.36,-3.13,;-.87,-2.73,;-4.93,-2.44,;-6.02,-1.35,;-7.51,-1.75,;-7.91,-3.24,;-9.4,-2.84,;-9,-4.33,;-6.82,-4.33,;-5.33,-3.93,)|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)C(F)F)C1(CC#N)CCC(CC1)Nc1ccccc1O |(4.42,-5.21,;5.19,-3.88,;6.73,-3.88,;4.42,-2.55,;4.9,-1.08,;3.65,-.18,;2.41,-1.08,;2.88,-2.55,;1.79,-3.64,;.31,-3.24,;-.09,-1.75,;-1.58,-1.35,;-2.67,-2.44,;-2.27,-3.93,;-.78,-4.33,;-4.16,-2.04,;-5.64,-1.64,;-5.25,-3.13,;-6.73,-2.73,;-4.85,-4.62,;3.65,1.36,;4.99,2.13,;4.99,3.67,;4.99,5.21,;2.32,.59,;.99,1.36,;.99,2.9,;2.32,3.67,;3.65,2.9,;-.35,3.67,;-1.68,2.9,;-1.68,1.36,;-3.02,.59,;-4.35,1.36,;-4.35,2.9,;-3.02,3.67,;-3.02,5.21,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccc(F)cc1F |(3.9,-5.21,;4.67,-3.88,;6.21,-3.88,;3.9,-2.55,;4.37,-1.08,;3.13,-.18,;1.88,-1.08,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-2.8,-3.93,;-3.88,-5.02,;-1.31,-4.33,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;1.79,.59,;.46,1.36,;.46,2.9,;1.79,3.67,;3.13,2.9,;-.87,3.67,;-2.21,2.9,;-2.21,1.36,;-3.54,.59,;-4.87,1.36,;-6.21,.59,;-4.87,2.9,;-3.54,3.67,;-3.54,5.21,)|
COCc1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C2CC2)C(F)(F)F)n1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)Nc1ccc(F)c(F)c1 |(3.9,-5.21,;4.67,-3.88,;6.21,-3.88,;3.9,-2.55,;4.37,-1.08,;3.13,-.18,;1.88,-1.08,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-4.68,-2.04,;-2.8,-3.93,;-1.31,-4.33,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;1.79,.59,;.46,1.36,;.46,2.9,;1.79,3.67,;3.13,2.9,;-.87,3.67,;-2.21,2.9,;-3.54,3.67,;-4.87,2.9,;-4.87,1.36,;-6.21,.59,;-3.54,.59,;-3.54,-.95,;-2.21,1.36,)|
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3=CCC4(CC3)OCCO4)cc(OC)cc2o1 |t:24|
CN1CCC(C1)n1c2c(cnc3ccc(cc23)-c2ccc(nc2)-c2cnn(C)c2)n(C)c1=O
NC(=O)C1=CC(N=C1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NC1CCOCC1 |c:6,t:3,(6.21,1.46,;5.82,-.02,;6.9,-1.11,;4.33,-.42,;3.85,-1.89,;2.31,-1.89,;1.84,-.42,;3.08,.48,;3.08,2.02,;1.75,2.79,;.41,2.02,;-.92,2.79,;-.92,4.33,;.41,5.1,;.41,6.64,;1.75,4.33,;1.22,-2.98,;1.62,-4.46,;.53,-5.55,;-.56,-6.64,;.82,-1.49,;-.66,-1.09,;-1.75,-2.18,;-1.35,-3.67,;.13,-4.07,;-3.24,-1.78,;-4.33,-2.87,;-5.82,-2.47,;-6.9,-3.56,;-6.51,-5.05,;-5.02,-5.45,;-3.93,-4.36,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)Nc1cccnc1 |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-5.35,-2.04,;-3.46,-3.93,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-4.21,3.67,;-5.54,2.9,;-5.54,1.36,;-4.21,.59,;-2.87,1.36,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccc(F)cc1 |(3.9,-5.21,;4.67,-3.88,;6.21,-3.88,;3.9,-2.55,;4.37,-1.08,;3.13,-.18,;1.88,-1.08,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-2.8,-3.93,;-3.88,-5.02,;-1.31,-4.33,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;1.79,.59,;.46,1.36,;.46,2.9,;1.79,3.67,;3.13,2.9,;-.87,3.67,;-2.21,2.9,;-3.54,3.67,;-4.87,2.9,;-4.87,1.36,;-6.21,.59,;-3.54,.59,;-2.21,1.36,)|
Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCCN(C4)S(C)(=O)=O)c3c2c1
CC#CCn1c(nc2n(C3CC3)c(=O)n(Cc3nc(-c4ccccc4)c4ccccc4n3)c(=O)c12)N1CCCC(N)C1
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)N1CCC(O)CC1 |(.62,5.31,;-.47,4.22,;-1.96,4.62,;-.07,2.73,;-.98,1.49,;-.07,.24,;1.39,.72,;1.39,2.26,;2.73,3.03,;4.06,2.26,;4.06,.72,;5.39,-.05,;6.73,.72,;6.73,2.26,;5.39,3.03,;8.06,-.05,;9.4,.72,;9.4,-.82,;8.06,-1.59,;9.4,-2.36,;6.73,-2.36,;-.47,-1.25,;.62,-2.33,;.22,-3.82,;-.18,-5.31,;-1.56,-.16,;-3.05,-.56,;-3.45,-2.04,;-2.36,-3.13,;-.87,-2.73,;-4.93,-2.44,;-6.02,-1.35,;-7.51,-1.75,;-7.91,-3.24,;-9.4,-3.64,;-6.82,-4.33,;-5.33,-3.93,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccc(Cl)cc1 |(3.9,-5.21,;4.67,-3.88,;6.21,-3.88,;3.9,-2.55,;4.37,-1.08,;3.13,-.18,;1.88,-1.08,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-2.8,-3.93,;-3.88,-5.02,;-1.31,-4.33,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;1.79,.59,;.46,1.36,;.46,2.9,;1.79,3.67,;3.13,2.9,;-.87,3.67,;-2.21,2.9,;-3.54,3.67,;-4.87,2.9,;-4.87,1.36,;-6.21,.59,;-3.54,.59,;-2.21,1.36,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)Nc1cccc(Cl)c1 |(3.9,-5.21,;4.67,-3.88,;6.21,-3.88,;3.9,-2.55,;4.37,-1.08,;3.13,-.18,;1.88,-1.08,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-4.68,-2.04,;-2.8,-3.93,;-1.31,-4.33,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;1.79,.59,;.46,1.36,;.46,2.9,;1.79,3.67,;3.13,2.9,;-.87,3.67,;-2.21,2.9,;-2.21,1.36,;-3.54,.59,;-4.87,1.36,;-4.87,2.9,;-6.21,3.67,;-3.54,3.67,)|
Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(C4)S(=O)(=O)c4ccc(Cl)cc4)c3c2c1
Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(C4)C(=O)CO)c3c2c1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)N1CCc2ccccc12
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)Nc1cc(F)ccc1F |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-5.35,-2.04,;-3.46,-3.93,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-2.87,1.36,;-4.21,.59,;-4.21,-.95,;-5.54,1.36,;-5.54,2.9,;-4.21,3.67,;-4.21,5.21,)|
Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCCN(C4)C(=O)CO)c3c2c1
COc1ncc(cc1C)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CC[C@H](O)CC4)c3c2c1 |r,wU:21.21,24.25,(-7.32,.15,;-5.98,.92,;-4.65,.15,;-3.32,.92,;-1.98,.15,;-1.98,-1.39,;-3.32,-2.16,;-4.65,-1.39,;-5.98,-2.16,;-.65,-2.16,;-.65,-3.7,;.68,-4.47,;2.02,-3.7,;3.35,-4.47,;4.69,-3.7,;4.69,-2.16,;5.83,-1.13,;7.32,-1.53,;5.2,.28,;5.6,1.76,;3.67,.12,;2.58,1.2,;2.98,2.69,;1.89,3.78,;.41,3.38,;-.68,4.47,;.01,1.89,;1.1,.81,;3.35,-1.39,;2.02,-2.16,;.68,-1.39,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)N1CCC2C=CC=CC12 |c:32,34|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1cccc(F)c1 |(3.9,-5.21,;4.67,-3.88,;6.21,-3.88,;3.9,-2.55,;4.37,-1.08,;3.13,-.18,;1.88,-1.08,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-2.8,-3.93,;-3.88,-5.02,;-1.31,-4.33,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;1.79,.59,;.46,1.36,;.46,2.9,;1.79,3.67,;3.13,2.9,;-.87,3.67,;-2.21,2.9,;-2.21,1.36,;-3.54,.59,;-4.87,1.36,;-4.87,2.9,;-6.21,3.67,;-3.54,3.67,)|
NC(=O)C1=CC(N=C1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)N1CCC(O)CC1 |c:6,t:3,(6.61,1.46,;6.21,-.02,;7.3,-1.11,;4.73,-.42,;4.25,-1.89,;2.71,-1.89,;2.23,-.42,;3.48,.48,;3.48,2.02,;2.15,2.79,;.81,2.02,;-.52,2.79,;-.52,4.33,;.81,5.1,;.81,6.64,;2.15,4.33,;1.62,-2.98,;2.02,-4.46,;.93,-5.55,;-.16,-6.64,;1.22,-1.49,;-.26,-1.09,;-1.35,-2.18,;-.95,-3.67,;.53,-4.07,;-2.84,-1.78,;-3.24,-.29,;-4.73,.11,;-5.82,-.98,;-7.3,-.59,;-5.42,-2.47,;-3.93,-2.87,)|
COc1ncc(cc1C)-c1ccc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3c2c1 |r,wU:21.21,wD:24.25,(-6.65,2.46,;-6.65,.92,;-5.32,.15,;-3.98,.92,;-2.65,.15,;-2.65,-1.39,;-3.98,-2.16,;-5.32,-1.39,;-6.65,-2.16,;-1.32,-2.16,;-1.32,-3.7,;.02,-4.47,;1.35,-3.7,;2.69,-4.47,;4.02,-3.7,;4.02,-2.16,;5.16,-1.13,;6.65,-1.53,;4.54,.28,;5.31,1.61,;3.01,.12,;1.92,1.2,;.43,.81,;-.66,1.89,;-.26,3.38,;-1.35,4.47,;1.23,3.78,;2.31,2.69,;2.69,-1.39,;1.35,-2.16,;.02,-1.39,)|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)Nc1ccc(O)cc1 |(4.42,-5.21,;5.19,-3.88,;6.73,-3.88,;4.42,-2.55,;4.9,-1.08,;3.65,-.18,;2.41,-1.08,;2.88,-2.55,;1.79,-3.64,;.31,-3.24,;-.09,-1.75,;-1.58,-1.35,;-2.67,-2.44,;-2.27,-3.93,;-.78,-4.33,;-4.16,-2.04,;-3.84,-.53,;-4.63,-3.51,;-5.62,-1.57,;-6.77,-2.6,;-6.1,-.1,;3.65,1.36,;4.99,2.13,;4.99,3.67,;4.99,5.21,;2.32,.59,;.99,1.36,;.99,2.9,;2.32,3.67,;3.65,2.9,;-.35,3.67,;-1.68,2.9,;-3.02,3.67,;-4.35,2.9,;-4.35,1.36,;-5.68,.59,;-3.02,.59,;-1.68,1.36,)|
Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(C4)C(=O)C(F)(F)F)c3c2c1
C[C@@H](O)C(=O)N1CCCC(C1)n1c2c(cnc3ccc(cc23)-c2ccc(nc2)-c2cnn(C)c2)n(C)c1=O |r|
CC1CNCC(N1C(=O)Cn1cnc(n1)C(C)(C)O)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Cn1c2cnc3ccc(cc3c2n([C@@H]2CC[C@H](O)CC2)c1=O)-c1cnn(c1)-c1ccccc1 |r,wU:13.14,16.18,(8.15,-1.53,;6.66,-1.13,;5.51,-2.16,;5.51,-3.7,;4.18,-4.47,;2.85,-3.7,;1.51,-4.47,;.18,-3.7,;.18,-2.16,;1.51,-1.39,;2.85,-2.16,;4.18,-1.39,;4.5,.12,;3.41,1.2,;3.81,2.69,;2.72,3.78,;1.23,3.38,;.14,4.47,;.83,1.89,;1.92,.81,;6.03,.28,;6.43,1.76,;-1.16,-1.39,;-1.16,.15,;-2.62,.62,;-3.53,-.62,;-2.62,-1.87,;-5.07,-.62,;-5.84,-1.95,;-7.38,-1.95,;-8.15,-.62,;-7.38,.71,;-5.84,.71,)|
NC(=O)C1=CC(N=C1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)NC1CCOCC1 |c:6,t:3,(6.21,2.23,;5.82,.75,;6.9,-.34,;4.33,.35,;3.85,-1.12,;2.31,-1.12,;1.84,.35,;3.08,1.25,;3.08,2.79,;1.75,3.56,;1.75,5.1,;.41,5.87,;-.92,5.1,;-2.25,5.87,;-.92,3.56,;.41,2.79,;1.22,-2.21,;1.62,-3.69,;.53,-4.78,;-.56,-5.87,;.82,-.72,;-.66,-.32,;-1.75,-1.41,;-1.35,-2.9,;.13,-3.3,;-3.24,-1.01,;-4.33,-2.1,;-5.82,-1.7,;-6.9,-2.79,;-6.51,-4.28,;-5.02,-4.68,;-3.93,-3.59,)|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)NC1CCOCC1
Cc1ccc(cc1)S(=O)(=O)N1CCC(C1)n1c2c(cnc3ccc(cc23)-c2ccc(nc2)-c2cnn(C)c2)n(C)c1=O
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)NCCO |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-5.35,-2.04,;-3.46,-3.93,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-4.21,3.67,;-5.54,2.9,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)NCC1CC1 |(3.33,-5.21,;4.1,-3.88,;5.64,-3.88,;3.33,-2.55,;3.81,-1.08,;2.56,-.18,;1.32,-1.08,;1.79,-2.55,;.71,-3.64,;-.78,-3.24,;-1.18,-1.75,;-2.67,-1.35,;-3.76,-2.44,;-5.24,-2.04,;-3.36,-3.93,;-1.87,-4.33,;2.56,1.36,;3.9,2.13,;3.9,3.67,;3.9,5.21,;1.23,.59,;-.1,1.36,;-.1,2.9,;1.23,3.67,;2.56,2.9,;-1.44,3.67,;-2.77,2.9,;-4.1,3.67,;-4.87,5.01,;-5.64,3.67,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)N1CCC(F)(F)CC1 |(3.23,-5.98,;4,-4.65,;5.54,-4.65,;3.23,-3.32,;3.71,-1.85,;2.46,-.95,;1.22,-1.85,;1.69,-3.32,;.6,-4.41,;-.89,-4.01,;-1.28,-2.52,;-2.77,-2.12,;-3.86,-3.21,;-5.35,-2.81,;-3.46,-4.7,;-1.97,-5.1,;2.46,.59,;3.79,1.36,;3.79,2.9,;3.79,4.44,;1.13,-.18,;-.21,.59,;-.21,2.13,;1.13,2.9,;2.46,2.13,;-1.54,2.9,;-1.54,4.44,;-2.87,5.21,;-4.21,4.44,;-4.21,5.98,;-5.54,3.67,;-4.21,2.9,;-2.87,2.13,)|
COCCNC1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |(-6.21,3.67,;-4.87,2.9,;-3.54,3.67,;-2.21,2.9,;-.87,3.67,;.46,2.9,;.46,1.36,;1.79,.59,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;3.13,2.9,;1.79,3.67,;3.13,-.18,;4.37,-1.08,;3.9,-2.55,;4.67,-3.88,;3.9,-5.21,;6.21,-3.88,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-4.68,-2.04,;-2.8,-3.93,;-1.31,-4.33,;1.88,-1.08,)|
CN(CCS(C)(=O)=O)C1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |(-.87,5.21,;-.87,3.67,;-2.21,2.9,;-3.54,3.67,;-4.87,2.9,;-4.87,1.36,;-6.21,3.67,;-6.21,2.13,;.46,2.9,;.46,1.36,;1.79,.59,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;3.13,2.9,;1.79,3.67,;3.13,-.18,;4.37,-1.08,;3.9,-2.55,;4.67,-3.88,;3.9,-5.21,;6.21,-3.88,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-4.68,-2.04,;-2.8,-3.93,;-1.31,-4.33,;1.88,-1.08,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)Nc1ccc(cc1)C(F)(F)F |(4.56,-5.21,;5.33,-3.88,;6.87,-3.88,;4.56,-2.55,;5.04,-1.08,;3.79,-.18,;2.55,-1.08,;3.02,-2.55,;1.94,-3.64,;.45,-3.24,;.05,-1.75,;-1.44,-1.35,;-2.53,-2.44,;-4.01,-2.04,;-2.13,-3.93,;-.64,-4.33,;3.79,1.36,;5.13,2.13,;5.13,3.67,;5.13,5.21,;2.46,.59,;1.13,1.36,;1.13,2.9,;2.46,3.67,;3.79,2.9,;-.21,3.67,;-1.54,2.9,;-2.87,3.67,;-4.21,2.9,;-4.21,1.36,;-2.87,.59,;-1.54,1.36,;-5.54,.59,;-6.87,1.36,;-5.54,-.95,;-6.87,-.18,)|
COC1CN(C1)C1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |(-5.82,4.6,;-4.48,5.37,;-3.15,4.6,;-1.66,5,;-1.26,3.51,;-2.75,3.12,;.07,2.74,;.07,1.2,;1.4,.43,;2.74,1.2,;4.07,1.97,;4.07,3.51,;4.07,5.05,;2.74,2.74,;1.4,3.51,;2.74,-.34,;3.98,-1.24,;3.51,-2.71,;4.28,-4.04,;3.51,-5.37,;5.82,-4.04,;1.97,-2.71,;.88,-3.79,;-.61,-3.4,;-1.01,-1.91,;-2.5,-1.51,;-3.58,-2.6,;-5.07,-2.2,;-3.19,-4.09,;-1.7,-4.49,;1.49,-1.24,)|
Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(Cc5ccccc5)C4)c3c2c1
CC(=O)N1CCN(CC1)C1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |(-4.87,6.37,;-4.87,4.83,;-6.21,4.06,;-3.54,4.06,;-2.21,4.83,;-.87,4.06,;-.87,2.52,;-2.21,1.75,;-3.54,2.52,;.46,1.75,;.46,.21,;1.79,-.56,;3.13,.21,;4.46,.98,;4.46,2.52,;4.46,4.06,;3.13,1.75,;1.79,2.52,;3.13,-1.33,;4.37,-2.24,;3.9,-3.7,;4.67,-5.03,;3.9,-6.37,;6.21,-5.03,;2.36,-3.7,;1.27,-4.79,;-.22,-4.39,;-.62,-2.9,;-2.1,-2.51,;-3.19,-3.59,;-4.68,-3.2,;-2.8,-5.08,;-1.31,-5.48,;1.88,-2.24,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)NCC(F)F |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-5.35,-2.04,;-3.46,-3.93,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-4.21,3.67,;-5.54,2.9,;-4.21,5.21,)|
CNC1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |(5.94,.57,;5.17,1.9,;3.63,1.9,;2.86,3.24,;1.32,3.24,;.55,1.9,;-.22,3.24,;.55,4.57,;1.32,5.91,;1.32,.57,;2.86,.57,;-.99,1.9,;-1.9,3.15,;-3.36,2.67,;-4.45,3.76,;-5.94,3.36,;-4.05,5.25,;-3.36,1.13,;-4.45,.04,;-4.05,-1.44,;-5.14,-2.53,;-4.74,-4.02,;-3.25,-4.42,;-2.86,-5.91,;-2.17,-3.33,;-2.56,-1.84,;-1.9,.66,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)NCCF |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-5.35,-2.04,;-3.46,-3.93,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-4.21,3.67,;-5.54,2.9,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)N1CCC1
COC1CN(C1)C1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |(7.8,2.49,;7.03,1.16,;5.49,1.16,;4.4,.07,;3.31,1.16,;4.4,2.25,;1.77,1.16,;1,2.49,;-.54,2.49,;-1.31,1.16,;-2.08,2.49,;-1.31,3.83,;-.54,5.16,;-.54,-.17,;1,-.17,;-2.85,1.16,;-3.76,2.41,;-5.22,1.93,;-6.31,3.02,;-7.8,2.62,;-5.91,4.51,;-5.22,.39,;-6.31,-.7,;-5.91,-2.19,;-7,-3.28,;-6.6,-4.76,;-5.11,-5.16,;-4.02,-4.07,;-2.54,-4.47,;-4.42,-2.58,;-3.76,-.09,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)N1CC(F)C1 |(-7.41,2.62,;-5.92,3.02,;-5.53,4.51,;-4.84,1.93,;-3.37,2.41,;-2.47,1.16,;-3.37,-.09,;-4.84,.39,;-5.92,-.7,;-5.53,-2.19,;-6.61,-3.28,;-6.22,-4.76,;-4.73,-5.16,;-3.64,-4.07,;-2.15,-4.47,;-4.04,-2.58,;-.93,1.16,;-1.7,2.49,;-.93,3.83,;-.16,5.16,;-.16,2.49,;1.38,2.49,;2.15,1.16,;1.38,-.17,;-.16,-.17,;3.69,1.16,;4.78,.07,;5.87,1.16,;7.41,1.16,;4.78,2.25,)|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)NCC(F)F
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)NCC(F)(F)F
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccccc1 |(-7.09,2.62,;-5.61,3.02,;-5.21,4.51,;-4.52,1.93,;-3.05,2.41,;-2.15,1.16,;-3.05,-.09,;-4.52,.39,;-5.61,-.7,;-5.21,-2.19,;-6.3,-3.28,;-5.9,-4.76,;-4.41,-5.16,;-3.32,-4.07,;-1.83,-4.47,;-3.72,-2.58,;-.61,1.16,;-1.38,2.49,;-.61,3.83,;.16,5.16,;.16,2.49,;1.7,2.49,;2.47,1.16,;1.7,-.17,;.16,-.17,;4.01,1.16,;4.78,2.49,;6.32,2.49,;7.09,3.83,;6.32,5.16,;4.78,5.16,;4.01,3.83,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCC(F)F |(-7.09,2.62,;-5.61,3.02,;-5.21,4.51,;-4.52,1.93,;-3.05,2.41,;-2.15,1.16,;-3.05,-.09,;-4.52,.39,;-5.61,-.7,;-5.21,-2.19,;-6.3,-3.28,;-5.9,-4.76,;-4.41,-5.16,;-3.32,-4.07,;-1.83,-4.47,;-3.72,-2.58,;-.61,1.16,;-1.38,2.49,;-.61,3.83,;.16,5.16,;.16,2.49,;1.7,2.49,;2.47,1.16,;1.7,-.17,;.16,-.17,;4.01,1.16,;4.78,2.49,;6.32,2.49,;7.09,3.83,;7.09,1.16,)|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)Nc1ccccc1
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)NCC(F)(F)F
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)N1Cc2ccccc2C1
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)N1CC(F)C1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)NCc1ccccc1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCC(F)(F)F |(-7.48,2.62,;-5.99,3.02,;-5.59,4.51,;-4.9,1.93,;-3.44,2.41,;-2.53,1.16,;-3.44,-.09,;-4.9,.39,;-5.99,-.7,;-5.59,-2.19,;-6.68,-3.28,;-6.28,-4.76,;-4.79,-5.16,;-3.71,-4.07,;-2.22,-4.47,;-4.1,-2.58,;-.99,1.16,;-1.76,2.49,;-.99,3.83,;-.22,5.16,;-.22,2.49,;1.32,2.49,;2.09,1.16,;1.32,-.17,;-.22,-.17,;3.63,1.16,;4.4,2.49,;5.94,2.49,;6.71,1.16,;6.71,3.83,;7.48,2.49,)|
COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)CC2CC2)cc1)C(=O)N1CCOCC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCC(F)(F)F |(-7.48,2.62,;-5.99,3.02,;-5.59,4.51,;-4.9,1.93,;-3.44,2.41,;-2.53,1.16,;-3.44,-.09,;-4.9,.39,;-5.99,-.7,;-5.59,-2.19,;-6.68,-3.28,;-6.28,-4.76,;-4.79,-5.16,;-3.71,-4.07,;-2.22,-4.47,;-4.1,-2.58,;-.99,1.16,;-1.76,2.49,;-.99,3.83,;-.22,5.16,;-.22,2.49,;1.32,2.49,;2.09,1.16,;1.32,-.17,;-.22,-.17,;3.63,1.16,;4.4,2.49,;5.94,2.49,;6.71,3.83,;6.71,1.16,;7.48,2.49,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)Nc1ccccc1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)NCc1ccc(cc1)C#N
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)NCC(F)(F)F
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)NCC(F)F
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)N1CC(F)C1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)NCC(F)(F)F
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)Nc1ccccc1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)Nc1ccccc1
CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)CC2CC2)cc1)C(=O)N1CCOCC1
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)N1CC(F)C1
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCOCC3)NC(=O)CN(C)C)cc(OC)cc2o1
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@]1(CC#N)CC[C@@H](CC1)NCc1ccccc1 |r,wU:22.27,16.17,(-8.25,3.36,;-6.76,3.76,;-6.36,5.25,;-5.67,2.67,;-4.21,3.15,;-3.3,1.9,;-4.21,.66,;-5.67,1.13,;-6.76,.04,;-6.36,-1.44,;-7.45,-2.53,;-7.05,-4.02,;-5.56,-4.42,;-5.17,-5.91,;-4.48,-3.33,;-4.87,-1.84,;-1.76,1.9,;-2.53,3.24,;-1.76,4.57,;-.99,5.91,;-.99,.57,;.55,.57,;1.32,1.9,;.55,3.24,;-.99,3.24,;2.86,1.9,;3.63,3.24,;5.17,3.24,;5.94,1.9,;7.48,1.9,;8.25,3.24,;7.48,4.57,;5.94,4.57,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CC[C@@H](CC1)NCc1ccc(F)cc1F |r,wD:22.27,(-6.68,4.72,;-7.08,3.23,;-8.57,2.83,;-5.99,2.14,;-4.45,2.14,;-3.97,.67,;-5.22,-.23,;-6.47,.67,;-7.8,-.1,;-7.8,-1.64,;-9.13,-2.41,;-9.13,-3.95,;-7.8,-4.72,;-6.47,-3.95,;-5.13,-4.72,;-6.47,-2.41,;-2.43,.67,;-3.29,-.6,;-2.62,-1.99,;-1.94,-3.37,;-1.66,2.01,;-.12,2.01,;.65,.67,;-.12,-.66,;-1.66,-.66,;2.19,.67,;2.97,2.01,;4.51,2.01,;5.28,3.34,;6.82,3.34,;7.59,2.01,;9.13,2.01,;6.82,.67,;5.28,.67,;4.51,-.66,)|
N[C@H]1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |r,wU:1.0,(5.6,8.91,;4.06,8.91,;3.29,7.58,;1.75,7.58,;.98,8.91,;.12,7.63,;.79,6.25,;1.47,4.87,;1.75,10.24,;3.29,10.24,;-.56,8.91,;-1.47,10.16,;-2.93,9.68,;-4.26,10.45,;-4.26,11.99,;-5.6,9.68,;-2.93,8.14,;-4.26,7.37,;-4.26,5.83,;-5.6,5.06,;-5.6,3.52,;-4.26,2.75,;-2.93,3.52,;-1.6,2.75,;-2.93,5.06,;-1.47,7.66,)|
N[C@H]1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |r,wD:1.0,(5.6,8.91,;4.06,8.91,;3.29,10.24,;1.75,10.24,;.98,8.91,;.12,7.63,;.79,6.25,;1.47,4.87,;1.75,7.58,;3.29,7.58,;-.56,8.91,;-1.47,10.16,;-2.93,9.68,;-4.26,10.45,;-4.26,11.99,;-5.6,9.68,;-2.93,8.14,;-4.26,7.37,;-4.26,5.83,;-5.6,5.06,;-5.6,3.52,;-4.26,2.75,;-2.93,3.52,;-1.6,2.75,;-2.93,5.06,;-1.47,7.66,)|
N[C@H]1CC[C@@](CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)F)n1 |r,wU:1.0,wD:4.10,(-6.45,.67,;-4.91,.67,;-4.14,2,;-2.6,2,;-1.83,.67,;-.49,-.1,;-.49,-1.64,;-.49,-3.18,;-2.6,-.67,;-4.14,-.67,;-.49,1.44,;-.49,2.98,;.97,3.45,;1.37,4.94,;2.86,5.34,;.28,6.03,;1.88,2.21,;3.36,1.81,;3.76,.32,;5.25,-.08,;5.65,-1.57,;4.56,-2.65,;3.07,-2.26,;2.67,-.77,;4.96,-4.14,;5.36,-5.63,;6.45,-3.74,;3.47,-4.54,;2.38,-3.45,;3.07,-6.03,;.97,.96,)|
N[C@H]1CC[C@](CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)F)n1 |r,wU:1.0,4.10,(-6.45,.67,;-4.91,.67,;-4.14,2,;-2.6,2,;-1.83,.67,;-.49,-.1,;-.49,-1.64,;-.49,-3.18,;-2.6,-.67,;-4.14,-.67,;-.49,1.44,;-.49,2.98,;.97,3.45,;1.37,4.94,;2.86,5.34,;.28,6.03,;1.88,2.21,;3.36,1.81,;3.76,.32,;5.25,-.08,;5.65,-1.57,;4.56,-2.65,;3.07,-2.26,;2.67,-.77,;4.96,-4.14,;5.36,-5.63,;6.45,-3.74,;3.47,-4.54,;2.38,-3.45,;3.07,-6.03,;.97,.96,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccc(F)cc1F |(-6.09,3.9,;-4.75,4.67,;-4.75,6.21,;-3.42,3.9,;-1.95,4.37,;-1.05,3.13,;-1.95,1.88,;-3.42,2.36,;-4.75,1.59,;-4.75,.05,;-3.42,-.72,;-3.42,-2.26,;-4.75,-3.03,;-6.09,-2.26,;-7.42,-3.03,;-6.09,-.72,;.49,3.13,;1.26,4.46,;2.8,4.46,;4.34,4.46,;-.28,1.79,;.49,.46,;2.03,.46,;2.8,1.79,;2.03,3.13,;2.8,-.87,;4.34,-.87,;5.11,-2.21,;4.34,-3.54,;5.11,-4.87,;6.65,-4.87,;7.42,-6.21,;7.42,-3.54,;6.65,-2.21,;7.42,-.87,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1cccc(O)c1 |(-6.86,3.23,;-5.52,4,;-5.52,5.54,;-4.19,3.23,;-2.72,3.71,;-1.82,2.46,;-2.72,1.22,;-4.19,1.69,;-5.52,.92,;-5.52,-.62,;-4.19,-1.39,;-4.19,-2.93,;-5.52,-3.7,;-6.86,-2.93,;-8.19,-3.7,;-6.86,-1.39,;-.28,2.46,;.49,3.79,;2.03,3.79,;3.57,3.79,;-1.05,1.13,;-.28,-.21,;1.26,-.21,;2.03,1.13,;1.26,2.46,;2.03,-1.54,;3.57,-1.54,;4.34,-2.87,;3.57,-4.21,;4.34,-5.54,;5.88,-5.54,;6.65,-4.21,;8.19,-4.21,;5.88,-2.87,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccc(cc1)C#N |(-7.19,.89,;-5.7,1.29,;-5.3,2.78,;-4.61,.2,;-3.07,.2,;-2.6,-1.26,;-3.84,-2.17,;-5.09,-1.26,;-6.42,-2.03,;-6.42,-3.57,;-5.09,-4.34,;-5.09,-5.88,;-6.42,-6.65,;-7.76,-5.88,;-9.09,-6.65,;-7.76,-4.34,;-1.11,-1.66,;-.71,-3.15,;.78,-3.55,;2.26,-3.95,;.38,-2.06,;1.47,-.97,;1.07,.52,;-.42,.92,;-1.51,-.17,;2.16,1.61,;3.65,1.21,;4.73,2.3,;6.22,1.9,;7.31,2.99,;6.91,4.47,;5.42,4.87,;4.34,3.78,;8,5.56,;9.09,6.65,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccccc1O |(-6.09,3.23,;-4.75,4,;-4.75,5.54,;-3.42,3.23,;-1.95,3.71,;-1.05,2.46,;-1.95,1.22,;-3.42,1.69,;-4.75,.92,;-4.75,-.62,;-3.42,-1.39,;-3.42,-2.93,;-4.75,-3.7,;-6.09,-2.93,;-7.42,-3.7,;-6.09,-1.39,;.49,2.46,;1.26,3.79,;2.8,3.79,;4.34,3.79,;-.28,1.13,;.49,-.21,;2.03,-.21,;2.8,1.13,;2.03,2.46,;2.8,-1.54,;4.34,-1.54,;5.11,-2.87,;4.34,-4.21,;5.11,-5.54,;6.65,-5.54,;7.42,-4.21,;6.65,-2.87,;7.42,-1.54,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCC1CCCCC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccc(Cl)cc1 |(-6.09,3.9,;-4.75,4.67,;-4.75,6.21,;-3.42,3.9,;-1.95,4.37,;-1.05,3.13,;-1.95,1.88,;-3.42,2.36,;-4.75,1.59,;-4.75,.05,;-3.42,-.72,;-3.42,-2.26,;-4.75,-3.03,;-6.09,-2.26,;-7.42,-3.03,;-6.09,-.72,;.49,3.13,;1.26,4.46,;2.8,4.46,;4.34,4.46,;-.28,1.79,;.49,.46,;2.03,.46,;2.8,1.79,;2.03,3.13,;2.8,-.87,;4.34,-.87,;5.11,-2.21,;4.34,-3.54,;5.11,-4.87,;6.65,-4.87,;7.42,-6.21,;7.42,-3.54,;6.65,-2.21,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccccc1Cl |(-6.09,3.23,;-4.75,4,;-4.75,5.54,;-3.42,3.23,;-1.95,3.71,;-1.05,2.46,;-1.95,1.22,;-3.42,1.69,;-4.75,.92,;-4.75,-.62,;-3.42,-1.39,;-3.42,-2.93,;-4.75,-3.7,;-6.09,-2.93,;-7.42,-3.7,;-6.09,-1.39,;.49,2.46,;1.26,3.79,;2.8,3.79,;4.34,3.79,;-.28,1.13,;.49,-.21,;2.03,-.21,;2.8,1.13,;2.03,2.46,;2.8,-1.54,;4.34,-1.54,;5.11,-2.87,;4.34,-4.21,;5.11,-5.54,;6.65,-5.54,;7.42,-4.21,;6.65,-2.87,;7.42,-1.54,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccccc1F |(-6.09,3.23,;-4.75,4,;-4.75,5.54,;-3.42,3.23,;-1.95,3.71,;-1.05,2.46,;-1.95,1.22,;-3.42,1.69,;-4.75,.92,;-4.75,-.62,;-3.42,-1.39,;-3.42,-2.93,;-4.75,-3.7,;-6.09,-2.93,;-7.42,-3.7,;-6.09,-1.39,;.49,2.46,;1.26,3.79,;2.8,3.79,;4.34,3.79,;-.28,1.13,;.49,-.21,;2.03,-.21,;2.8,1.13,;2.03,2.46,;2.8,-1.54,;4.34,-1.54,;5.11,-2.87,;4.34,-4.21,;5.11,-5.54,;6.65,-5.54,;7.42,-4.21,;6.65,-2.87,;7.42,-1.54,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccc(F)cc1 |(-6.09,3.9,;-4.75,4.67,;-4.75,6.21,;-3.42,3.9,;-1.95,4.37,;-1.05,3.13,;-1.95,1.88,;-3.42,2.36,;-4.75,1.59,;-4.75,.05,;-3.42,-.72,;-3.42,-2.26,;-4.75,-3.03,;-6.09,-2.26,;-7.42,-3.03,;-6.09,-.72,;.49,3.13,;1.26,4.46,;2.8,4.46,;4.34,4.46,;-.28,1.79,;.49,.46,;2.03,.46,;2.8,1.79,;2.03,3.13,;2.8,-.87,;4.34,-.87,;5.11,-2.21,;4.34,-3.54,;5.11,-4.87,;6.65,-4.87,;7.42,-6.21,;7.42,-3.54,;6.65,-2.21,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccncc1 |(-6.09,3.23,;-4.75,4,;-4.75,5.54,;-3.42,3.23,;-1.95,3.71,;-1.05,2.46,;-1.95,1.22,;-3.42,1.69,;-4.75,.92,;-4.75,-.62,;-3.42,-1.39,;-3.42,-2.93,;-4.75,-3.7,;-6.09,-2.93,;-7.42,-3.7,;-6.09,-1.39,;.49,2.46,;1.26,3.79,;2.8,3.79,;4.34,3.79,;-.28,1.13,;.49,-.21,;2.03,-.21,;2.8,1.13,;2.03,2.46,;2.8,-1.54,;4.34,-1.54,;5.11,-2.87,;4.34,-4.21,;5.11,-5.54,;6.65,-5.54,;7.42,-4.21,;6.65,-2.87,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1cccc(c1)C#N |(-6.09,4.56,;-4.75,5.33,;-4.75,6.87,;-3.42,4.56,;-1.95,5.04,;-1.05,3.79,;-1.95,2.55,;-3.42,3.02,;-4.75,2.25,;-4.75,.71,;-3.42,-.06,;-3.42,-1.6,;-4.75,-2.37,;-6.09,-1.6,;-7.42,-2.37,;-6.09,-.06,;.49,3.79,;1.26,5.13,;2.8,5.13,;4.34,5.13,;-.28,2.46,;.49,1.13,;2.03,1.13,;2.8,2.46,;2.03,3.79,;2.8,-.21,;4.34,-.21,;5.11,-1.54,;6.65,-1.54,;7.42,-2.87,;6.65,-4.21,;5.11,-4.21,;4.34,-2.87,;4.34,-5.54,;3.57,-6.87,)|
FCCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CC2(COC2)C1
FC(F)COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCOCC1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccccn1 |(-6.09,3.23,;-4.75,4,;-4.75,5.54,;-3.42,3.23,;-1.95,3.71,;-1.05,2.46,;-1.95,1.22,;-3.42,1.69,;-4.75,.92,;-4.75,-.62,;-3.42,-1.39,;-3.42,-2.93,;-4.75,-3.7,;-6.09,-2.93,;-7.42,-3.7,;-6.09,-1.39,;.49,2.46,;1.26,3.79,;2.8,3.79,;4.34,3.79,;-.28,1.13,;.49,-.21,;2.03,-.21,;2.8,1.13,;2.03,2.46,;2.8,-1.54,;4.34,-1.54,;5.11,-2.87,;6.65,-2.87,;7.42,-4.21,;6.65,-5.54,;5.11,-5.54,;4.34,-4.21,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccccc1 |(-6.09,3.23,;-4.75,4,;-4.75,5.54,;-3.42,3.23,;-1.95,3.71,;-1.05,2.46,;-1.95,1.22,;-3.42,1.69,;-4.75,.92,;-4.75,-.62,;-3.42,-1.39,;-3.42,-2.93,;-4.75,-3.7,;-6.09,-2.93,;-7.42,-3.7,;-6.09,-1.39,;.49,2.46,;1.26,3.79,;2.8,3.79,;4.34,3.79,;-.28,1.13,;.49,-.21,;2.03,-.21,;2.8,1.13,;2.03,2.46,;2.8,-1.54,;4.34,-1.54,;5.11,-2.87,;4.34,-4.21,;5.11,-5.54,;6.65,-5.54,;7.42,-4.21,;6.65,-2.87,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1cccc(F)c1 |(-6.86,3.23,;-5.52,4,;-5.52,5.54,;-4.19,3.23,;-2.72,3.71,;-1.82,2.46,;-2.72,1.22,;-4.19,1.69,;-5.52,.92,;-5.52,-.62,;-4.19,-1.39,;-4.19,-2.93,;-5.52,-3.7,;-6.86,-2.93,;-8.19,-3.7,;-6.86,-1.39,;-.28,2.46,;.49,3.79,;2.03,3.79,;3.57,3.79,;-1.05,1.13,;-.28,-.21,;1.26,-.21,;2.03,1.13,;1.26,2.46,;2.03,-1.54,;3.57,-1.54,;4.34,-2.87,;3.57,-4.21,;4.34,-5.54,;5.88,-5.54,;6.65,-4.21,;8.19,-4.21,;5.88,-2.87,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1cccc(Cl)c1 |(-6.86,3.23,;-5.52,4,;-5.52,5.54,;-4.19,3.23,;-2.72,3.71,;-1.82,2.46,;-2.72,1.22,;-4.19,1.69,;-5.52,.92,;-5.52,-.62,;-4.19,-1.39,;-4.19,-2.93,;-5.52,-3.7,;-6.86,-2.93,;-8.19,-3.7,;-6.86,-1.39,;-.28,2.46,;.49,3.79,;2.03,3.79,;3.57,3.79,;-1.05,1.13,;-.28,-.21,;1.26,-.21,;2.03,1.13,;1.26,2.46,;2.03,-1.54,;3.57,-1.54,;4.34,-2.87,;3.57,-4.21,;4.34,-5.54,;5.88,-5.54,;6.65,-4.21,;8.19,-4.21,;5.88,-2.87,)|
Fc1ccc(CC(=O)Nc2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4C(F)(F)F)C(=O)N4CCOCC4)nn3c2)cc1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1cccnc1 |(-6.09,3.23,;-4.75,4,;-4.75,5.54,;-3.42,3.23,;-1.95,3.71,;-1.05,2.46,;-1.95,1.22,;-3.42,1.69,;-4.75,.92,;-4.75,-.62,;-3.42,-1.39,;-3.42,-2.93,;-4.75,-3.7,;-6.09,-2.93,;-7.42,-3.7,;-6.09,-1.39,;.49,2.46,;1.26,3.79,;2.8,3.79,;4.34,3.79,;-.28,1.13,;.49,-.21,;2.03,-.21,;2.8,1.13,;2.03,2.46,;2.8,-1.54,;4.34,-1.54,;5.11,-2.87,;6.65,-2.87,;7.42,-4.21,;6.65,-5.54,;5.11,-5.54,;4.34,-4.21,)|
Cc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CC2(COC2)C1
COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)S(=O)(=O)N1CCOCC1
COc1cc(OCc2csc(C)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccc(O)cc1 |(-6.09,3.9,;-4.75,4.67,;-4.75,6.21,;-3.42,3.9,;-1.95,4.37,;-1.05,3.13,;-1.95,1.88,;-3.42,2.36,;-4.75,1.59,;-4.75,.05,;-3.42,-.72,;-3.42,-2.26,;-4.75,-3.03,;-6.09,-2.26,;-7.42,-3.03,;-6.09,-.72,;.49,3.13,;1.26,4.46,;2.8,4.46,;4.34,4.46,;-.28,1.79,;.49,.46,;2.03,.46,;2.8,1.79,;2.03,3.13,;2.8,-.87,;4.34,-.87,;5.11,-2.21,;4.34,-3.54,;5.11,-4.87,;6.65,-4.87,;7.42,-6.21,;7.42,-3.54,;6.65,-2.21,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccccc1C#N |(-6.3,1.78,;-4.81,2.18,;-4.41,3.67,;-3.72,1.09,;-2.18,1.09,;-1.71,-.37,;-2.95,-1.28,;-4.2,-.37,;-5.53,-1.14,;-5.53,-2.68,;-4.2,-3.45,;-4.2,-4.99,;-5.53,-5.76,;-6.87,-4.99,;-8.2,-5.76,;-6.87,-3.45,;-.22,-.77,;.18,-2.26,;1.67,-2.66,;3.15,-3.06,;1.27,-1.17,;2.36,-.08,;1.96,1.41,;.47,1.81,;-.62,.72,;3.05,2.5,;4.53,2.1,;5.62,3.19,;5.22,4.67,;6.31,5.76,;7.8,5.36,;8.2,3.88,;7.11,2.79,;7.51,1.3,;7.91,-.19,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccccc1 |(-6.3,1.78,;-4.81,2.18,;-4.41,3.67,;-3.72,1.09,;-2.18,1.09,;-1.71,-.37,;-2.95,-1.28,;-4.2,-.37,;-5.53,-1.14,;-5.53,-2.68,;-4.2,-3.45,;-4.2,-4.99,;-5.53,-5.76,;-6.87,-4.99,;-8.2,-5.76,;-6.87,-3.45,;-.22,-.77,;.18,-2.26,;1.67,-2.66,;3.15,-3.06,;1.27,-1.17,;2.36,-.08,;1.96,1.41,;.47,1.81,;-.62,.72,;3.05,2.5,;4.53,2.1,;5.62,3.19,;7.11,2.79,;8.2,3.88,;7.8,5.36,;6.31,5.76,;5.22,4.67,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CC[C@@H](CC1)NS(=O)(=O)c1cccc(F)c1 |r,wU:22.27,(-6.97,4.16,;-6.97,2.62,;-8.3,1.85,;-5.63,1.85,;-4.17,2.33,;-3.26,1.08,;-4.17,-.17,;-5.63,.31,;-6.97,-.46,;-6.97,-2,;-8.3,-2.77,;-8.3,-4.31,;-6.97,-5.08,;-5.63,-4.31,;-4.3,-5.08,;-5.63,-2.77,;-1.72,1.08,;-2.59,-.2,;-1.91,-1.58,;-1.24,-2.97,;-.95,-.25,;.59,-.25,;1.36,1.08,;.59,2.41,;-.95,2.41,;2.9,1.08,;3.68,-.25,;3.68,-1.79,;2.35,-1.02,;5.22,-.25,;5.99,1.08,;7.53,1.08,;8.3,-.25,;7.53,-1.59,;8.3,-2.92,;5.99,-1.59,)|
CC(F)(F)C(=O)N1CC[C@@](CC#N)([C@@H](F)C1)n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1 |r|
CC(F)(F)C(=O)N1CC[C@](CC#N)([C@H](F)C1)n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1 |r|
CC(F)(F)C(=O)N1CC[C@@](CC#N)([C@H](F)C1)n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1 |r|
CC(F)(F)C(=O)N1CC[C@](CC#N)([C@@H](F)C1)n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@]1(CC#N)CC[C@@H](CC1)n1cc(nn1)C1CC1 |r,wU:22.27,wD:16.17,(-7.13,10.6,;-5.65,11,;-5.25,12.49,;-4.56,9.91,;-3.09,10.38,;-2.19,9.14,;-3.09,7.89,;-4.56,8.37,;-5.65,7.28,;-5.25,5.79,;-6.34,4.7,;-5.94,3.22,;-4.45,2.82,;-4.05,1.33,;-3.36,3.91,;-3.76,5.39,;-.65,9.14,;.12,7.8,;1.66,7.8,;3.2,7.8,;.89,9.14,;1.66,10.47,;.89,11.81,;-.65,11.81,;-1.42,10.47,;1.66,13.14,;1.19,14.6,;2.43,15.51,;3.68,14.6,;3.2,13.14,;2.43,17.05,;3.2,18.38,;1.66,18.38,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@]1(CC#N)CC[C@@H](CC1)n1cc(nn1)C1CC1 |r,wD:16.17,22.27,(-7.13,10.6,;-5.65,11,;-5.25,12.49,;-4.56,9.91,;-3.09,10.38,;-2.19,9.14,;-3.09,7.89,;-4.56,8.37,;-5.65,7.28,;-5.25,5.79,;-6.34,4.7,;-5.94,3.22,;-4.45,2.82,;-4.05,1.33,;-3.36,3.91,;-3.76,5.39,;-.65,9.14,;.12,7.8,;1.66,7.8,;3.2,7.8,;-1.42,10.47,;-.65,11.81,;.89,11.81,;1.66,10.47,;.89,9.14,;1.66,13.14,;1.19,14.6,;2.43,15.51,;3.68,14.6,;3.2,13.14,;2.43,17.05,;3.2,18.38,;1.66,18.38,)|
NC(=O)c1cn(nc1Nc1ccccc1)[C@]1(CC#N)CC[C@@H](CC1)C(=O)NCC(F)(F)F |r,wD:15.16,21.26,(-7.07,9.75,;-5.58,10.15,;-5.18,11.64,;-4.49,9.06,;-3.03,9.54,;-2.12,8.29,;-3.03,7.04,;-4.49,7.52,;-5.58,6.43,;-5.18,4.94,;-6.27,3.85,;-5.87,2.37,;-4.38,1.97,;-3.29,3.06,;-3.69,4.54,;-.58,8.29,;.19,6.96,;1.73,6.96,;3.27,6.96,;-1.35,9.62,;-.58,10.96,;.96,10.96,;1.73,9.62,;.96,8.29,;1.73,12.29,;.96,13.62,;3.27,12.29,;4.04,13.62,;5.58,13.62,;7.07,13.23,;6.35,14.96,;6.35,12.29,)|
NC(=O)c1cn(nc1Nc1ccccc1)[C@@]1(CC#N)CC[C@@H](CC1)C(=O)NCC(F)(F)F |r,wU:21.26,wD:15.16,(-7.07,9.75,;-5.58,10.15,;-5.18,11.64,;-4.49,9.06,;-3.03,9.54,;-2.12,8.29,;-3.03,7.04,;-4.49,7.52,;-5.58,6.43,;-5.18,4.94,;-6.27,3.85,;-5.87,2.37,;-4.38,1.97,;-3.29,3.06,;-3.69,4.54,;-.58,8.29,;.19,6.96,;1.73,6.96,;3.27,6.96,;.96,8.29,;1.73,9.62,;.96,10.96,;-.58,10.96,;-1.35,9.62,;1.73,12.29,;.96,13.62,;3.27,12.29,;4.04,13.62,;5.58,13.62,;7.07,13.23,;6.35,14.96,;6.35,12.29,)|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@]1(CC#N)CCN(C[C@@H]1F)C(=O)OCC(F)F |r|
CC(C)(C)OC(=O)N1CC[C@](CC#N)([C@H](F)C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
C[C@@H]1CN(CC[C@]1(CC#N)n1cc(C(N)=O)c(Nc2ccccc2)n1)C(=O)OC(C)(C)C |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)O[C@@H]1CCOC1 |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)O[C@H]1CCOC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)O[C@H]1CCOC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)C(=O)O[C@@H]1CCOC1 |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCNCC1
CN1C[C@H]2CN(C[C@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CNC[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
CCN1C[C@H]2CN(C[C@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cc(C)cnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN1CC2CN(CC2C1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CC3CNCC3C2)nc1-c1cc(Cl)ccc1OC(F)F
CCN1CC2CN(CC2C1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CC(C)N1C[C@H]2CN(C[C@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CCc4ccccc4)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
OCCCN1C[C@H]2CN(C[C@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
OCCCOC(=O)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN1C[C@@H]2CN(C[C@@]2(C1)c1ccccc1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CC4CCN(CC4)C(=O)OCc4ccccc4)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CCCN4CCCC4=O)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CCCN4CCOCC4)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CC[C@@H]3CNCC[C@H]23)cc1NC(=O)c1cnn2cccnc12 |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CC[C@H]3CNC[C@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
CC(=O)N1CCC(CN2C[C@H]3CN(C[C@H]3C2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1 |r|
CCOC(=O)N1CCC(CN2C[C@H]3CN(C[C@H]3C2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1 |r|
CN1CC[C@@H]2[C@@H](CCN2C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C1 |r|
CN1C[C@H]2CCN(C[C@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CC[C@H]3CN(CC4CCOCC4)C[C@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
CS(=O)(=O)CCCN1C[C@H]2CN(C[C@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CC(C)CN1C[C@H]2CN(C[C@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN1CCC2CN(CCC12)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN1CCC2CN(CC2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CS(=O)(=O)CCN1C[C@H]2CN(C[C@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CCCN4CCOC4=O)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CC4CCC(F)(F)CC4)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
CS(=O)(=O)N1CCC(CN2C[C@H]3CN(C[C@H]3C2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1 |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CC4CCN(CC4)C(=O)C4CCOCC4)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
CN(C)C(=O)N1CCC(CN2C[C@H]3CN(C[C@H]3C2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1 |r|
CN1C[C@H]2[C@@H](C1)[C@H](N([C@H]2CO)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccccc1 |r|
COCCCN1C[C@H]2CN(C[C@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CC1(CN2C[C@H]3CN(C[C@H]3C2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)COC1 |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CC4CCC4)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
CN1CC[C@@H]2CN(CC[C@H]12)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN1CC[C@H]2CN(CC[C@@H]12)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN1C[C@H]2CN(C[C@]2(C1)c1ccccc1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
OC1(CN2C[C@H]3CN(C[C@H]3C2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CCCCC1 |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CC4(CCCCC4)C#N)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
CN1CC[C@H]2[C@H](CCN2C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C1 |r|
CN1CC[C@@H]2CN(C[C@@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CC(C)(O)CCN1C[C@H]2CN(C[C@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CCCOC(=O)N4CCOCC4)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CC4CCCCC4)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
CN1CC[C@H]2CN(C[C@H]2C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CCCN4C(=O)Cc5ccccc45)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CCCOC(=O)C4CCC4)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
CN1CCC2CN(CCC12)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CCC(F)(F)CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CC(F)(F)F)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CCOCc4ccc(Cl)cc4)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
CN1CC[C@@H]2[C@H](CCN2C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C1 |r|
CN1CC[C@H]2[C@@H](CCN2C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C1 |r|
CN(CCC#N)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)C1CN(C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)C1CCN(C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
NC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
COCCN(C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCCC2)cc1NC(=O)c1cnn2cccnc12
CN(C)CC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)C[C@H]1CCCN(C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN(C)C[C@@H]1CCCN(C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN(C)CCOC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)CC1(O)CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CCNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(CC2)N2CC[C@@H](O)C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(CC2)N2CC[C@H](O)C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
CN(C)C[C@H]1CCCN1C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN(C)C[C@@H]1CCCN1C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN(C)CC1(CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccccc1
NC[C@@H]1CCCN1C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN(C)C[C@@H]1CCCN(C1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)NC2CCC2)cc1NC(=O)c1cnn2cccnc12
CN(CCc1ccccc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CCc1ccccn1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)NCCC#N)cc1NC(=O)c1cnn2cccnc12
CN(C)C(=O)CCCN(C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)NCCc2ccccc2)cc1NC(=O)c1cnn2cccnc12
CN(CCc1ccc(O)cc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Oc1ccc(CCNC2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)cc1
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)NCCc2ccc(Cl)cc2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)NCCc2ccc(cc2)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12
CN(CCc1ccc(Cl)cc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
COc1ccc(CCN(C)C2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)cc1
CN(CC1(C)COC1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CCc1ccc(cc1)C(F)(F)F)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(Cc1ccccc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CC(F)(F)F)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CCOc1ccccc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CCC1CCCCC1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CC(F)(F)c1ccccc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N(CCc2ccccc2)CC(F)(F)F)cc1NC(=O)c1cnn2cccnc12
CN(CCOc1ccc(Br)cc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CCOc1ccccc1Br)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CCOc1ccccc1Cl)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CCOc1ccc(Cl)cc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CCCCN(CCOc1ccc(C)cc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Cc1ccc(OCCN(CC=C)C2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)cc1
CN(CCOc1ccc(C)cc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CN3CCC(F)(F)CC3)(CC2)c2ccccc2)cc1NC(=O)c1cnn2cccnc12
CN(CC1Oc2ccccc2O1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(Cc1cccc(Oc2ccccc2)c1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CC1(CCCCC1)C#N)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CCCCN(CC(F)(F)F)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N(Cc2ccccc2)CC(F)(F)F)cc1NC(=O)c1cnn2cccnc12
CC1(CN(CCC(F)(F)F)C2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)COC1
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N(CCC(F)(F)F)Cc2ccccc2)cc1NC(=O)c1cnn2cccnc12
CN(Cc1ccc(Br)cc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(Cc1ccc(cc1)C(C)(C)C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(Cc1cccc(Br)c1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CCCc1ccccc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
C[N+](C)(CCCc1ccccc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CC(C)Oc1ccc(CN(C)C2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)cc1
CN(Cc1ccc(Cl)cc1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CCCCOc1ccc(CN(C)C2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)cc1
CN(Cc1cccc(c1)C(F)(F)F)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(Cc1ccc(C)cc1C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(Cc1ccc2ccccc2c1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(Cc1ccc(F)c(Br)c1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)NC(c2ccccc2)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12
CN(C(Cc1ccccc1)C(F)(F)F)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CC(C)(F)F)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2Cc3ccc(Cl)cc3C2)cc1NC(=O)c1cnn2cccnc12
CN(C)C1CCN(C1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)CCOC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)C1CN(C1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CCO)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
COCCN(C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CC(=O)NCCCN1CCC(CC1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCC(=O)N2CCCCC2)CC1
CC(=O)N1CCC(CC1)N1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCNC(=O)c2ccccc2)CC1
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCCC2=O)CC1
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCC(=O)N2CCOCC2)CC1
CN(C)C(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CNC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CC(=O)NCCCN1CCC(CC1)n1cc(NC(=O)C(\C(N)=N)=C2\NC=CC=N2)c(n1)-c1cc(Cl)ccc1OC(F)F |c:26,28|
CN(CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)C(=O)c1ccccc1
FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCN(CCCC(=O)NC2CCOCC2)CC1
FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCN(CCCC(=O)NC2COC2)CC1
CN1CCN(CCCN2CCC(CC2)n2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C1=O
FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCN(CCCN2CCCC2=O)CC1
CCNC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CNC(=O)CN1CCC(CC1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCN(CCCN2CCOCC2)CC1
FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCN(CCCN2CCSCC2)CC1
CNC(=O)CCN1CCC(CC1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCN(CCCN2CCS(=O)(=O)CC2)CC1
NC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCNC2=O)CC1
CN1CCN(CCCN2CCC(CC2)n2cc(NC(=O)c3c(N)nn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C1=O
NC(=O)CCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCN(Cc3ccccc3)C2=O)CC1
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCC(=O)NCc2ccccc2)CC1
CNC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCN(CCCC(=O)N2CCOCC2)CC1
NC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCCNCC1
CN1CCCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CC(=O)N1CCC(CN2CCC(CC2)n2cc(NC(=O)c3c(N)nn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
CC(C)CN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CCOC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCO)CC1
CS(=O)(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(Cc2ccccc2)CC1
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCCc2ccccc2)CC1
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCOCc2ccccc2)CC1
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCCOCCc2ccccc2)CC1
CN1CC[C@@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN1CC[C@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)[C@@H]1CCNC1 |r|
Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)[C@H]1CCNC1 |r|
CN(CC1(CCCCC1)C#N)C1CCN(CC1)C(=O)c1ccc(cc1)-n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)C1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN(CCC#N)C1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN(C)CC1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN(C)CCC1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN(CCc1ccccc1)C1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN(CCCC(N)=O)C1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nc(sc1NC(=O)c1cnn2cccnc12)N1CCC(CC1)N1CC(F)C1
FC(F)Oc1ccc(Cl)cc1-c1nc(sc1NC(=O)c1cnn2cccnc12)N1CC(C1)N1CCCCC1
FC(F)Oc1ccc(Cl)cc1-c1nc(sc1NC(=O)c1cnn2cccnc12)N1CCC(CC1)N1CC(F)(F)C1
CN(C)C1CCN(CC1)C(=O)C1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN(CC(F)(F)F)C1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CCCCN(C)C1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN(CC1(C)COC1)C1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN(Cc1ccccc1)C1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN(CC(F)(F)F)C1CCN(CC1)C(=O)C1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN(CC1(CCCCC1)C#N)C1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN(CC1(CCCCC1)C#N)C1CCN(CC1)C(=O)C1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN1CCN(CC1)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nc(sc1NC(=O)c1cnn2cccnc12)N1CCN(CCc2ccccc2)CC1
FC(F)Oc1ccc(Cl)cc1-c1nc(sc1NC(=O)c1cnn2cccnc12)N1CCN(CC2CC2)CC1
FC(F)Oc1ccc(Cl)cc1-c1nc(sc1NC(=O)c1cnn2cccnc12)N1CCN(CC(F)(F)F)CC1
CN(C)CC#Cc1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CCCCN(C)CC#Cc1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN1CCC2(CN(C2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C1
CN1CCC2(CCN(C2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C1
CN1CCC2(CC1)CN(CCO2)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN1CC2(C1)CN(C2)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN1CCC2C(C1)OCCN2C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN1CCC2(CN(C2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CC3(C2)CCNCC3)cc1NC(=O)c1cnn2cccnc12
CN1CC2(C1)CCN(CC2)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC3(CNC3)C2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CC3(C2)CCNC3)cc1NC(=O)c1cnn2cccnc12
CN1CC2(C1)CCN(C2)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN1CCC2(CCN(C2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC3(CCNC3)CC2)cc1NC(=O)c1cnn2cccnc12
CN1CCC2(C1)CCN(CC2)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CC(C)CN1CCC2(C1)CCN(CC2)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC3(CCN(CC4CCN(CC4)C(=O)OCc4ccccc4)C3)CC2)cc1NC(=O)c1cnn2cccnc12
CN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
OCCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
COCCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
OCCCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
OCCOCCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CS(=O)(=O)CCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN1CCN(C[C@@H]1CO)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN1CCN(C[C@H]1CO)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CC2)c2ccccc2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CC2)c2ccc(cc2)C#N)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)cc1NC(=O)c1cnn2cccnc12
CN1CCCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
OCCN1CCCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN3CCCCC3C2)cc1NC(=O)c1cnn2cccnc12
CN1[C@H]2CC[C@@H]1CN(C2)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r,TLB:0:1:8.7.6:3.4|
CN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCN(CCO)CC2)nc1-c1cc(Cl)ccc1OC(F)F
COCCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN1CCCN(CC1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCN(CC3CC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F
CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
C[C@H]1CN(C[C@@H](C)N1)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN1C[C@H]2C[C@@H]1CN2C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nc(sc1NC(=O)c1cnn2cccnc12)-c1ccncc1
CN(C)Cc1ccc(cc1)-c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nc(sc1NC(=O)c1cnn2cccnc12)-c1ccc(CN2CC(F)C2)cc1
FC(F)Oc1ccc(Cl)cc1-c1nc(sc1NC(=O)c1cnn2cccnc12)-c1ccc(CN2CC(F)(F)C2)cc1
CN1CCN(CC1)c1ccc(cc1)-c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN(C)C1CCN(Cc2nc(c(NC(=O)c3cnn4cccnc34)s2)-c2cc(Cl)ccc2OC(F)F)CC1
CN(CCc1ccccc1)Cc1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
CN1C[C@H]2CN(Cc3nc(c(NC(=O)c4cnn5cccnc45)s3)-c3cc(Cl)ccc3OC(F)F)C[C@H]2C1 |r|
FC(F)Oc1ccc(Cl)cc1-c1nc(CN2CCCCC2)sc1NC(=O)c1cnn2cccnc12
CN1C[C@H]2CN(C[C@H]2C1)C(=O)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F |r|
CN(C)C1CCN(CC1)C(=O)c1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(CO)CC2)nc1-c1cc(Cl)ccc1OC(F)F
OCC(O)[C@@H]1CCCN1C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
OC[C@@H]1CCCN1C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CC1(O)CCN(C1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CC[C@H](O)C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CC[C@@H](O)C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
OCC1(O)CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCOC(CO)C2)nc1-c1cc(Cl)ccc1OC(F)F
OCC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
OCCOC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
OC1(CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccncc1
OCC1CN(CCO1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
OC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(O)(Cc3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F
CC1(O)CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)(C#N)c2ccccc2)cc1NC(=O)c1cnn2cccnc12
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(F)(F)C2)nc1-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(CC2)(C#N)c2ccccc2)nc1-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC=CC2)cc1NC(=O)c1cnn2cccnc12 |c:21|
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(CC2)Oc2ccccc2)nc1-c1cc(Cl)ccc1OC(F)F
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(O)(CC2)c2ccccc2)nc1-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(F)(F)C2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCOCC2)cc1NC(=O)c1cnn2cccnc12
OC1(CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccccc1
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F
OCC1(CNC(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
OC1(Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CCCC1
CN(C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)C1(CO)CC1
COCCNCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
NCCn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN[C@@H]1CCC[C@@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
N[C@H]1C[C@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r,wU:1.0,3.5,(-5.77,-4.78,;-4.44,-4.01,;-4.04,-2.52,;-2.55,-2.92,;-2.95,-4.41,;-1.22,-2.15,;-1.22,-.61,;.25,-.13,;.65,1.35,;-.44,2.44,;-1.93,2.04,;-.05,3.93,;-.95,5.18,;-2.49,5.18,;-.05,6.42,;1.42,5.95,;2.75,6.72,;4.09,5.95,;4.09,4.41,;2.75,3.64,;1.42,4.41,;1.15,-1.38,;.25,-2.63,;2.69,-1.38,;3.46,-.05,;5,-.05,;5.77,1.29,;5.77,-1.38,;5,-2.71,;3.46,-2.71,;2.69,-4.05,;3.46,-5.38,;2.69,-6.72,;5,-5.38,)|
CN[C@H]1C[C@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r,wU:2.1,4.6,(-6.44,-4.01,;-5.1,-4.78,;-3.77,-4.01,;-3.37,-2.52,;-1.88,-2.92,;-2.28,-4.41,;-.55,-2.15,;-.55,-.61,;.91,-.13,;1.31,1.35,;.22,2.44,;-1.26,2.04,;.62,3.93,;-.28,5.18,;-1.82,5.18,;.62,6.42,;2.09,5.95,;3.42,6.72,;4.75,5.95,;4.75,4.41,;3.42,3.64,;2.09,4.41,;1.82,-1.38,;.91,-2.63,;3.36,-1.38,;4.13,-.05,;5.67,-.05,;6.44,1.29,;6.44,-1.38,;5.67,-2.71,;4.13,-2.71,;3.36,-4.05,;4.13,-5.38,;3.36,-6.72,;5.67,-5.38,)|
CCN(Cc1ccnc(C)c1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CCN(Cc1ccnc(Cl)c1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CCN(Cc1cccnc1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CC(F)(F)F)C1CCN(CC1)C(=O)c1ccc(cc1)-n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
NC(=N)CCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
NC(=N)CCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CCOC(=O)CNCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CCNCC(=O)OC2CCCC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCCCC2)cc1NC(=O)c1cnn2cccnc12
CCOC(=O)[C@@H](N)CCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
OC(=O)CN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
OC(=O)CNC1CCN(CCn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
CSCCNCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CCNCc2ccccc2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CCNCc2ccccn2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CCNCc2ccncc2)cc1NC(=O)c1cnn2cccnc12
CC(N1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccccc1
CC(C)CN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CC1(CN2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)COC1
CCCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CCN3CCOCC3)CC2)cc1NC(=O)c1cnn2cccnc12
COC(=O)CN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC2CCC(=O)O2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCNCC2)cc1NC(=O)c1cnn2cccnc12
CN(C)C(=O)CN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Oc1ccccc1CNCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Oc1cccc(CNCCn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)c1
Oc1ccc(CNCCn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)cc1
COC(=O)CNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
OC1CCN(C2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C(=O)C1
COC(=O)CCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CCOC(=O)CCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
COC(=O)C1CCN(CCN2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
CCOC(=O)C1CCN(CCN2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
COC(=O)C1(C)CCN(CCN2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)C(=O)OCCN2CCOCC2)cc1NC(=O)c1cnn2cccnc12
CCOC(=O)C1(C)CCN(CCN2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
CN(C)CCOC(=O)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CC1(CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)C(=O)OCCN1CCOCC1
CN(C)CCOC(=O)C1(C)CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)C(=O)OCC2CCNCC2)cc1NC(=O)c1cnn2cccnc12
OC(=O)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CC1CCC(=O)O1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
COC(=O)CCN(C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CSc1ccc(CNCCn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)cc1
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CC2)C2CCOC(=O)C2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CN3CCOCC3)CC2)cc1NC(=O)c1cnn2cccnc12
CN1CCN(CC1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN1CCN(CC2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CC3=CC(=O)OC3)CC2)cc1NC(=O)c1cnn2cccnc12 |t:23|
CN(CC1=CC(=O)OC1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |t:3|
OC(=O)CCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CC(C)(C)OC(=O)N1CC[C@H]([C@H](O)C1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](O)C1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
O[C@@H]1CNCC[C@H]1n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
O[C@H]1CNCC[C@@H]1n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
O[C@@H]1CCNC[C@H]1n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
O[C@H]1CCNC[C@@H]1n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CCOC(=O)CN(CCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)Cc1cccnc1
OC(=O)CN(CCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)Cc1cccnc1
CCOC(=O)CNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
OC(=O)CNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CCOC(=O)CN1CCC(CC1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CCNCc2ncco2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CCNCc2cccnc2)cc1NC(=O)c1cnn2cccnc12
CN[C@@H](C)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
C[C@@H](Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)N(C)C |r|
CCN[C@@H](C)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CSCCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CC(C)N1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CC3CC3)CC2)cc1NC(=O)c1cnn2cccnc12
CC1CN(C)CCN1C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CC1CN(CCN1C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C(C)(C)C1
CN1CCN(CC1(C)C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)CCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(Cc3ncco3)CC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CCNCC2CCC(=O)O2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CC3CCC(=O)O3)CC2)cc1NC(=O)c1cnn2cccnc12
CNC(=O)CN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
C[C@@H](NCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccccc1 |r|
C[C@H](NCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccccc1 |r|
COC(=O)CNCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
COC(=O)[C@@H](N)CCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN1CCC(COC(=O)C2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
CN1CCC(COC(=O)C2(C)CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
CN(CCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)CC1CCC(=O)O1
CCOC(=O)CCN(C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CC2)C2COC(=O)C2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CC2)N2CCOCC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(C\C=C\CN2CCOCC2)cc1NC(=O)c1cnn2cccnc12
CN1CCN(C\C=C\Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
CSCCOC(=O)CNCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CCOC(=O)CN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CCN[C@H]2CCOC2)cc1NC(=O)c1cnn2cccnc12 |r|
CN(C)C(=O)CN(C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)C(=O)CNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CCN[C@@H]2CCOC2)cc1NC(=O)c1cnn2cccnc12 |r|
OC(CN1CCOCC1)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)CC(O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
OC(CN1CCCCC1)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CCC#N)CC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCNC(=O)C2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)C(=O)N2CCNCC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCC(C2)C#N)cc1NC(=O)c1cnn2cccnc12
CC1(CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)N1CCOCC1
CN(C)CC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)CN2CCOCC2)cc1NC(=O)c1cnn2cccnc12
CC(CN(C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)C#N
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCC[C@@H](C2)C#N)cc1NC(=O)c1cnn2cccnc12 |r|
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]\[#6]-n1cc(-[#7]-[#6](=O)-c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1-[#8]-[#6](F)F
CN1CCN(CC1=O)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CCN2CCNCC2=O)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)CN2CCCCC2)cc1NC(=O)c1cnn2cccnc12
CC(CNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)C#N
CN(CCC#N)C1CCC(CC1)=CCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |(-3.79,-7.7,;-4.19,-6.21,;-5.67,-5.81,;-6.76,-6.9,;-8.25,-6.5,;-9.74,-6.11,;-3.1,-5.12,;-3.49,-3.64,;-2.41,-2.55,;-.92,-2.95,;-.52,-4.43,;-1.61,-5.52,;.17,-1.86,;1.66,-2.25,;2.75,-1.17,;2.75,.37,;4.21,.85,;4.61,2.34,;3.52,3.43,;2.03,3.03,;3.92,4.91,;3.01,6.16,;3.92,7.41,;5.38,6.93,;6.72,7.7,;8.05,6.93,;8.05,5.39,;6.72,4.62,;5.38,5.39,;5.12,-.4,;4.21,-1.64,;6.66,-.4,;7.43,.94,;8.97,.94,;9.74,2.27,;9.74,-.4,;8.97,-1.73,;7.43,-1.73,;6.66,-3.06,;7.43,-4.4,;6.66,-5.73,;8.97,-4.4,)|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC=C2CCC(CC2)NCCC#N)cc1NC(=O)c1cnn2cccnc12
NC1CCC(CC1)=CCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |(-6.96,-6.96,;-5.87,-5.87,;-6.27,-4.38,;-5.18,-3.29,;-3.69,-3.69,;-3.3,-5.18,;-4.38,-6.27,;-2.61,-2.6,;-1.12,-3,;-.03,-1.91,;-.03,-.37,;1.44,.11,;1.83,1.59,;.75,2.68,;-.74,2.28,;1.14,4.17,;.24,5.42,;1.14,6.66,;2.61,6.19,;3.94,6.96,;5.28,6.19,;5.28,4.65,;3.94,3.88,;2.61,4.65,;2.34,-1.14,;1.44,-2.39,;3.88,-1.14,;4.65,.19,;6.19,.19,;6.96,1.53,;6.96,-1.14,;6.19,-2.47,;4.65,-2.47,;3.88,-3.81,;4.65,-5.14,;3.88,-6.47,;6.19,-5.14,)|
CN(C)C(=O)[C@@H]1CCCN1CC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN(C)C(=O)[C@@H]1CCCN1C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CNC(=O)[C@@H]1CCCN1CC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CNC(=O)[C@@H]1CCCN1C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN(C)C(=O)CN1CCN(CC2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
CN(C)C(=O)CN1CCC(CN2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)CC1
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CC2)C2CCOCC2)cc1NC(=O)c1cnn2cccnc12
CN1CCC2CN(CC12)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)C1(CC1)C#N
CN([C@@H]1CCOC1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
CN(CC1OCCO1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCSCC2)cc1NC(=O)c1cnn2cccnc12
CN(CC1(CC#N)CC1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)NC2(CC2)C#N)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CC2)C2CCOC2)cc1NC(=O)c1cnn2cccnc12
CN(CC1(C)OCCO1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CC3CCCNC3C2)cc1NC(=O)c1cnn2cccnc12
CN1CCCC2CN(CC12)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCCOCC2)cc1NC(=O)c1cnn2cccnc12
CN([C@H]1CCOC1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCS(=O)CC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CCN[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCNCC2=O)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CC(C2)C#N)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2C[C@@H]3C[C@H]2CO3)cc1NC(=O)c1cnn2cccnc12 |r|
CN1CCN(C2CCN(CC2)C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C(=O)C1
C[C@@H]1COCCN1C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CC3CC(C2)O3)cc1NC(=O)c1cnn2cccnc12
C[C@H]1COCCN1C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r|
FC(F)Oc1ccc(Cl)cc1-c1nn(Cc2cn(nn2)C2CCNCC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)OCC(=O)N2CCOCC2)cc1NC(=O)c1cnn2cccnc12
CN1CCC(CC1)n1cc(Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)nn1
FC(F)Oc1ccc(Cl)cc1-c1nn(Cc2cn(nn2)C2CCN(CC2)C2CCOC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)NCCCC#N)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(Cc2cn(nn2)C2CCN(CC2)C2CCOCC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CC3CCOCC3)CC2)cc1NC(=O)c1cnn2cccnc12
CN(C1COC1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CCN3CCSCC3)CC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CCCC#N)CC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCC(CC2)C#N)cc1NC(=O)c1cnn2cccnc12
CC(F)(F)CNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CCCC#N)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(CC(C)(C)C#N)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CC(C)(CNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)C#N
CN(CC1(CC1)C#N)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)NCC2(CC2)C#N)cc1NC(=O)c1cnn2cccnc12
CN(C1COC2C(O)COC12)c1nc(Nc2cnn(C)c2)ncc1Cl
Cc1cnc(Nc2cnn(C)c2)nc1NC1COC2C(O)COC12
Cn1cc(Nc2ncc(Cl)c(NC3COC4C(COC34)OCCO)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3COC4C(COC34)NS(C)(=O)=O)n2)cn1
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
CC(C)(C)OC(=O)N1CC[C@H](C#N)[C@H](C1)n1cc(C(N)=O)c(Nc2ccccc2)n1 |r|
CC(C)(C)OC(=O)N1CC[C@H](C#N)[C@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CNCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCNC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1CCNC[C@H]1C#N |r|
CC(C)(C)CCOC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC(OC(=O)N1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCCF |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCCCc1ccccc1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCCN1CCOCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OC1COC1 |r|
CC(C)(COC(=O)N1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N |r|
CN1CCC(COC(=O)N2CC[C@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCC1(N)CC1 |r|
CC1(COC(=O)N2CC[C@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CC1 |r|
CC(C)COC(=O)N1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OC1CCCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCc1ccccc1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OC1CCOCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCCN1CCCC1=O |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCC(F)F |r|
CC(C)(C)COC(=O)N1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCCN1CCCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCC(F)(F)CO |r|
CN(C)CC(C)(C)COC(=O)N1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CN(C)CCOC(=O)N1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CCOC(=O)N1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CN1CCN(CCOC(=O)N2CC[C@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OC1CCOC1 |r|
CN1CCC(CC1)OC(=O)N1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC(C)(COC(=O)N1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)n1cccn1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCC(F)(F)F |r|
COCCOC(=O)N1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OC(CF)CF |r|
COCCCOC(=O)N1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC1(COC(=O)N2CC[C@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)COC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCCC#C |r|
CC(OC(=O)N1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCCc1ccccc1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OC1Cc2ccccc2C1 |r|
CCOC(=O)COC(=O)N1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(C[C@H]1C#N)C(=O)OCC1(CC#N)CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OCCC#C |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OCCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OC1Cc2ccccc2C1 |r|
CC(OC(=O)N1CC[C@@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C(F)(F)F |r|
CCOC(=O)N1CC[C@@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC1(COC(=O)N2CC[C@@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)COC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OC(CF)CF |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OCCc1ccccc1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OC1CCCC1 |r|
CC(C)(C)COC(=O)N1CC[C@@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OC1CCOC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OCc1ccccc1 |r|
CC(C)(COC(=O)N1CC[C@@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)n1cccn1 |r|
COCCOC(=O)N1CC[C@@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OCCCc1ccccc1 |r|
CC(C)COC(=O)N1CC[C@@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OC1COC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OCCF |r|
CCOC(=O)COC(=O)N1CC[C@@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OC1CCOCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OC1CCCCC1 |r|
CC1(COC(=O)N2CC[C@@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CC1 |r|
COCCCOC(=O)N1CC[C@@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OCC1(CC#N)CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OCC(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OCC(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCN(C[C@H]1C#N)C(=O)OCC(F)(F)CO |r|
CC(OC(=O)N1CC[C@@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C1CC1 |r|
CC(C)(COC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N |r|
CC(OC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OC(CF)CF |r|
CC1(COC(=O)N2CC[C@@H](C#N)[C@@H](C2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CC1 |r|
CC(OC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OCC(F)(F)CO |r|
CN(C)CC(C)(C)COC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CCOC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC(C)COC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OCC(F)(F)F |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OCCF |r|
CC(C)(C)COC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OCC1CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OCc1ccccc1 |r|
COCCOC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CCOC(=O)COC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OC1CCOCC1 |r|
CN(C)CCOC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OCCN1CCOCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OCC1(CC#N)CC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OC1COC1 |r|
CC1(COC(=O)N2CC[C@@H](C#N)[C@@H](C2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)COC1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OCCC1CC1 |r|
CC(C)(COC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)n1cccn1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2cccnn2)CC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2cnccn2)CC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2ccon2)CC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2cocn2)CC[C@H]1C#N |r|
Cn1ccc(CN2CC[C@@H](C#N)[C@@H](C2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2cscn2)CC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2cc(F)ccn2)CC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2ncco2)CC[C@H]1C#N |r|
COC1CC(CN2CC[C@@H](C#N)[C@@H](C2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 |r,wU:9.9,wD:12.14,(-1.92,-9.11,;-2.69,-7.77,;-1.92,-6.44,;-2.32,-4.95,;-.83,-4.55,;-.06,-3.22,;-.83,-1.88,;-2.37,-1.88,;-3.14,-.55,;-2.37,.78,;-3.14,2.12,;-3.91,3.45,;-.83,.78,;-.06,-.55,;-.06,2.12,;1.48,2.12,;1.96,3.58,;3.29,4.35,;3.29,5.89,;4.62,3.58,;.71,4.49,;.71,6.03,;-.62,6.8,;-1.96,6.03,;-3.29,6.8,;-3.29,8.34,;-4.62,9.11,;-1.96,9.11,;-.62,8.34,;-.54,3.58,;-.43,-6.04,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CCC2CCOCC2)CC[C@H]1C#N |r|
CC(C)(O)C1CC(CN2CC[C@@H](C#N)[C@@H](C2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 |r,wU:11.11,wD:14.16,(-1.92,-9.11,;-2.69,-7.77,;-3.46,-9.11,;-4.23,-7.77,;-1.92,-6.44,;-2.32,-4.95,;-.83,-4.55,;-.06,-3.22,;-.83,-1.88,;-2.37,-1.88,;-3.14,-.55,;-2.37,.78,;-3.14,2.12,;-3.91,3.45,;-.83,.78,;-.06,-.55,;-.06,2.12,;1.48,2.12,;1.96,3.58,;3.29,4.35,;3.29,5.89,;4.62,3.58,;.71,4.49,;.71,6.03,;-.62,6.8,;-1.96,6.03,;-3.29,6.8,;-3.29,8.34,;-4.62,9.11,;-1.96,9.11,;-.62,8.34,;-.54,3.58,;-.43,-6.04,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC2CCC2)CC[C@H]1C#N |r|
Cn1nccc1CN1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
Cc1cc(CN2CC[C@@H](C#N)[C@@H](C2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)no1 |r|
Cc1c(CN2CC[C@@H](C#N)[C@@H](C2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)cnn1C |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2ccc(F)cn2)CC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2cccnc2F)CC[C@H]1C#N |r|
Cc1ncc(CN2CC[C@@H](C#N)[C@@H](C2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)s1 |r|
CCn1ccnc1CN1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC1=NOC(CN2CC[C@@H](C#N)[C@@H](C2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 |r,t:1|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC2CCOC2)CC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(Cc2cccnn2)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(Cc2cnccn2)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(Cc2ccon2)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(Cc2cocn2)C[C@H]1C#N |r|
Cn1ccc(CN2CC[C@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(Cc2cscn2)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(Cc2cncc(F)c2)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(Cc2ncco2)C[C@H]1C#N |r|
COC1CC(CN2CC[C@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 |r,wU:10.12,wD:9.14,(-6.9,-6.83,;-6.13,-5.5,;-4.59,-5.5,;-3.5,-4.41,;-2.41,-5.5,;-.87,-5.5,;-.1,-4.16,;1.44,-4.16,;2.21,-2.83,;1.44,-1.49,;-.1,-1.49,;-.87,-2.83,;-.87,-.16,;-1.64,1.17,;2.21,-.16,;3.75,-.16,;4.23,1.3,;5.56,2.07,;5.56,3.61,;6.9,1.3,;2.98,2.21,;2.98,3.75,;1.65,4.52,;.31,3.75,;-1.02,4.52,;-1.02,6.06,;-2.35,6.83,;.31,6.83,;1.65,6.06,;1.74,1.3,;-3.5,-6.58,)|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(CCC2CCOCC2)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(Cc2ccn[nH]2)C[C@H]1C#N |r|
Cc1cc(CN2CC[C@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)no1 |r|
Cc1c(CN2CC[C@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)cnn1C |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(Cc2cccnc2F)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(Cc2cccc(F)n2)C[C@H]1C#N |r|
Cc1ncc(CN2CC[C@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)s1 |r|
CCn1ccnc1CN1CC[C@H]([C@@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
CC1=NOC(CN2CC[C@H]([C@@H](C2)C#N)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 |r,t:1|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCN(CC2CCC2)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2cncs2)CC[C@H]1C#N |r|
Cc1ncoc1CN1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CS(=O)(=O)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@@H]1CS(=O)(=O)C[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@@H]1CS(=O)(=O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@@H]1COCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@@H]1COCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@@H]1COCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@@H]1COCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(Cl)c1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(Cl)c1)[C@@H]1COCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(F)c1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)c(F)c1)[C@@H]1COCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)(F)F)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)(F)F)[C@@H]1COCC[C@H]1C#N |r|
C[C@@](O)(C(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1 |r|
C[C@](O)(C(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1 |r|
C[C@@](O)(C(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@@H]2COCC[C@H]2C#N)cc1 |r|
C[C@](O)(C(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@@H]2COCC[C@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1cnc2cc(Cl)ccc2c1)[C@@H]1COCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1cnc2cc(Cl)ccc2c1)[C@H]1COCC[C@@H]1C#N |r|
COC(C)(C)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1 |r|
CC1(COC1)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1 |r|
COC(C)(C)c1ccc(Nc2nn(cc2C(N)=O)[C@@H]2COCC[C@H]2C#N)cc1 |r|
CC1(COC1)c1ccc(Nc2nn(cc2C(N)=O)[C@@H]2COCC[C@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)nc1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)nc1)[C@@H]1COCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)nc1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1cncc(F)c1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1cncc(F)c1)[C@@H]1COCC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)F)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)F)[C@@H]1COCC[C@H]1C#N |r|
CN(C)C(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C#N)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(OCC(F)(F)F)nc1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@@H]1COCC[C@H]1C#N |r|
C[C@@H]1C[C@H](C#N)[C@H](CO1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |r|
C[C@H]1OCC[C@@H](C#N)[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@@H]1CCOC[C@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1CCOC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C[C@@H]1C#N |r|
C[C@@]1(CS(=O)(=O)CC1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N |r|
C[C@]1(CS(=O)(=O)C[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N |r|
C[C@@]1(CS(=O)(=O)C[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N |r|
CN(C1CCC2(CCN(C2)C(=O)CC#N)CC1)c1nc(Nc2cnn(C)c2)ncc1Cl |(-5.62,.92,;-4.28,.15,;-2.95,.92,;-1.62,.15,;-.28,.92,;-.28,2.46,;-.28,4,;1.18,4.47,;2.09,3.23,;1.18,1.98,;3.58,2.83,;4.66,3.92,;3.97,1.34,;5.46,.94,;6.95,.54,;-1.62,3.23,;-2.95,2.46,;-4.28,-1.39,;-2.95,-2.16,;-2.95,-3.7,;-1.62,-4.47,;-.28,-3.7,;-.28,-2.16,;1.18,-1.69,;2.09,-2.93,;3.63,-2.93,;1.18,-4.18,;-4.28,-4.47,;-5.62,-3.7,;-5.62,-2.16,;-6.95,-1.39,)|
Cn1cc(Nc2nccc(NC3CCC4(CCN(C4)C(=O)CC#N)CC3)n2)cn1 |(2.96,-2.93,;1.42,-2.93,;.52,-4.18,;-.95,-3.7,;-2.28,-4.47,;-3.62,-3.7,;-4.95,-4.47,;-6.28,-3.7,;-6.28,-2.16,;-4.95,-1.39,;-4.95,.15,;-3.62,.92,;-2.28,.15,;-.95,.92,;-.95,2.46,;-.95,4,;.52,4.47,;1.42,3.23,;.52,1.98,;2.91,2.83,;4,3.92,;3.31,1.34,;4.8,.94,;6.28,.54,;-2.28,3.23,;-3.62,2.46,;-3.62,-2.16,;-.95,-2.16,;.52,-1.69,)|
Cc1cnc(Nc2cnn(C)c2)nc1NC1CN(CC11CCCC1)C(=O)CC#N
Cc1cnc(Nc2cnn(C)c2)nc1NC1CCC2(CCN(C2)C(=O)CC#N)CC1 |(-6.95,-1.39,;-5.62,-2.16,;-5.62,-3.7,;-4.28,-4.47,;-2.95,-3.7,;-1.62,-4.47,;-.28,-3.7,;-.28,-2.16,;1.18,-1.69,;2.09,-2.93,;3.63,-2.93,;1.18,-4.18,;-2.95,-2.16,;-4.28,-1.39,;-4.28,.15,;-2.95,.92,;-1.62,.15,;-.28,.92,;-.28,2.46,;-.28,4,;1.18,4.47,;2.09,3.23,;1.18,1.98,;3.58,2.83,;4.66,3.92,;3.97,1.34,;5.46,.94,;6.95,.54,;-1.62,3.23,;-2.95,2.46,)|
Cn1cc(Nc2ncc(Cl)c(NC3CC4CNCC4C3)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCNC4)CC3)n2)cn1 |(5.29,-2.93,;3.75,-2.93,;2.84,-4.18,;1.38,-3.7,;.05,-4.47,;-1.29,-3.7,;-2.62,-4.47,;-3.96,-3.7,;-3.96,-2.16,;-5.29,-1.39,;-2.62,-1.39,;-2.62,.15,;-1.29,.92,;.05,.15,;1.38,.92,;1.38,2.46,;1.38,4,;2.84,4.47,;3.75,3.23,;2.84,1.98,;.05,3.23,;-1.29,2.46,;-1.29,-2.16,;1.38,-2.16,;2.84,-1.69,)|
Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCN(C4)C(=O)CC#N)CC3)n2)cn1 |(3.63,-2.93,;2.09,-2.93,;1.18,-4.18,;-.28,-3.7,;-1.62,-4.47,;-2.95,-3.7,;-4.28,-4.47,;-5.62,-3.7,;-5.62,-2.16,;-6.95,-1.39,;-4.28,-1.39,;-4.28,.15,;-2.95,.92,;-1.62,.15,;-.28,.92,;-.28,2.46,;-.28,4,;1.18,4.47,;2.09,3.23,;1.18,1.98,;3.58,2.83,;4.66,3.92,;3.97,1.34,;5.46,.94,;6.95,.54,;-1.62,3.23,;-2.95,2.46,;-2.95,-2.16,;-.28,-2.16,;1.18,-1.69,)|
Cn1cc(Nc2ncc(Cl)c(NC3CN(CC33CCCC3)C(=O)CC#N)n2)cn1
CN(C1CCC2(C1)CCCN(C2)C(=O)CC#N)c1nc(Nc2cnn(C)c2)ncc1Cl
Cn1cc(Nc2ncc(Cl)c(NC3CCC4CN(CC4C3)C(=O)CC#N)n2)cn1
CN(C1CCC2(CC1)CCN(CC2)C(=O)CC#N)c1nc(Nc2cnn(C)c2)ncc1Cl
Cc1cnc(Nc2cnn(C)c2)nc1NC1CCC2(CC1)CCN(CC2)C(=O)CC#N
Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)C(=O)CC#N)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)c3ccc(cn3)C#N)n2)cn1
CC(=O)N1CCC2(CCC(CC2)Nc2nc(Nc3cnn(C)c3)ncc2Cl)CC1
Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)S(C)(=O)=O)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)C(=O)C(F)(F)F)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1
CC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)c3ccc(cn3)C#N)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)C(F)(F)F)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC(F)(F)F)CC4C3)n2)cn1
Cc1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)C(=O)CC#N)n2)nn1C
Cc1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)nn1C
Cn1cnc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)c1
Cn1cnc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)C(=O)CC#N)n2)c1
OCCn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)cn1
Clc1cnc(Nc2cnn(CC3CC3)c2)nc1NC1CC2CN(CC2C1)C(=O)CC#N
Clc1cnc(Nc2cnn(CC3CC3)c2)nc1NC1CCC2(CC1)CCN(CC2)C(=O)CC#N
OCCn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)C(=O)CC#N)n2)cn1
Cn1nc(cc1Nc1ncc(Cl)c(NC2CC3CN(CC3C2)C(=O)CC#N)n1)C1CC1
Cc1nn(C)cc1Nc1ncc(Cl)c(NC2CCC3(CC2)CCN(CC3)C(=O)CC#N)n1
Cc1cnc(Nc2cnn(C)c2)nc1NC1CC2CN(CC2C1)c1ccc(cn1)C#N
Cc1cnc(Nc2cnn(C)c2)nc1NC1CC2CN(CC2C1)C(=O)CC#N
CC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1C
Cc1cnc(Nc2cnn(C)c2)nc1NC1CC2CN(CC2C1)S(C)(=O)=O
Cc1nn(C)cc1Nc1ncc(Cl)c(NC2CC3CN(CC3C2)C(=O)CC#N)n1
Cc1c(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)cnn1C
CN(C1CC2CN(CC2C1)C(=O)CC#N)c1nc(Nc2cnn(C)c2)ncc1Cl
CCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ccc(cn3)C#N)c2n1
CCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ncc(cn3)C#N)c2n1
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC(C)(C)O)c1)C(N)=O)c1ccc(cn1)C#N
C[C@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ncc(cn3)C#N)c2n1
C[C@@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ccc(cn3)C#N)c2n1
C[C@@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ncc(cn3)C#N)c2n1
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC(C)(C)O)c1)C(N)=O)c1ncc(cn1)C#N
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC(C)(C)O)c1)C(N)=O)c1nnc(s1)C(F)(F)F
C[C@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ccc(cn3)C#N)c2n1
CC(C)n1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ncc(cn3)C#N)c2n1
COC[C@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ncc(cn3)C#N)c2n1
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cn(C)nc1C)C(N)=O)c1ncc(cn1)C#N
CCCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ncc(cn3)C#N)c2n1
CCCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ccc(cn3)C#N)c2n1
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C[C@H](O)C(F)(F)F)c1)C(N)=O)c1ccc(cn1)C#N
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)C(=O)C1(CC1)C#N
CCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)C(=O)C3(CC3)C#N)c2n1
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)C(=O)C1(CCC1)C#N
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC(C)(C)O)c1)C(N)=O)C(=O)C1(CC1)C#N
C[C@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)C(=O)C3(CC3)C#N)c2n1
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)C(=O)C1(COC1)C#N
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccnn1C)C(N)=O)C(=O)C1(CC1)C#N
COC[C@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)C(=O)C3(CC3)C#N)c2n1
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1c(C)nn(C)c1C)C(N)=O)C(=O)C1(CC1)C#N |r|
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cn(C)nc1C)C(N)=O)C(=O)C1(CC1)C#N
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C[C@@H](O)C(F)(F)F)c1)C(N)=O)C(=O)C1(CC1)C#N
CCCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@@H]3CN(C[C@@H]3C)C(=O)C3(CC3)C#N)c2n1
CC(C)n1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)C(=O)C3(CC3)C#N)c2n1
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccc2n(C)ncc2c1)C(N)=O)C(=O)C1(CC1)C#N
COc1ccc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)C(=O)C3(CC3)C#N)c2n1
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccnc(C)c1)C(N)=O)C(=O)C1(CC1)C#N
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1c(C)nn(C)c1C)C(N)=O)C(=O)C(C)(C)C#N
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cn(C)nc1C)C(N)=O)C(=O)C(C)(C)C#N
C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(c1)C1CC1)C(N)=O)C(=O)C1(CC1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC)c1)C(N)=O)C(=O)C1(CC1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC)c1)C(N)=O)C(=O)C1(CCC1)C#N
CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)C(=O)C1(CCC1)C#N
CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)C(=O)C1(CC1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1ccc2ncccc2c1)C(N)=O)C(=O)C1(CC1)C#N
CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccnc(C)c1)C(N)=O)C(=O)C1(CC1)C#N
CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccc2n(C)ncc2c1)C(N)=O)C(=O)C1(CC1)C#N
CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1c(C)nn(C)c1C)C(N)=O)C(=O)C1(CC1)C#N
CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccnn1C)C(N)=O)C(=O)C1(CC1)C#N
CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cn(C)nc1C)C(N)=O)C(=O)C1(CC1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cn(CC(C)(C)O)nc1C)C(N)=O)C(=O)C1(CC1)C#N
CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(c1)C1CC1)C(N)=O)C(=O)C1(CC1)C#N
CCCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3CC)C(=O)C3(CC3)C#N)c2n1
CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccn(C)n1)C(N)=O)C(=O)C1(CC1)C#N
CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1sc(C)nc1C)C(N)=O)C(=O)C1(CC1)C#N
CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(c1)C(C)C)C(N)=O)C(=O)C1(CC1)C#N
CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)c1ccc(cn1)C#N
CCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)c2n1
Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)c2n1
CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC)c1)C(N)=O)c1ccc(nn1)C#N
CCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3CF)C(=O)C3(CC3)C#N)c2n1
Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c2n1
CCCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3CF)C(=O)C3(CC3)C#N)c2n1
CC(C)n1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c2n1
NC(=O)c1cnn2cc(nc2c1N[C@@H]1CN(C[C@@H]1CF)C(=O)C1(CC1)C#N)-c1cnn(c1)C1CC1
NC(=O)c1cnn2cc(nc2c1N[C@@H]1CN(C[C@@H]1CF)C(=O)C1(CC1)C#N)-c1cnn(c1)C(F)F
Cn1ncc2cc(ccc12)-c1cn2ncc(C(N)=O)c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c2n1
Cc1cc(ccn1)-c1cn2ncc(C(N)=O)c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c2n1
NC(=O)c1cnn2cc(nc2c1N[C@@H]1CN(C[C@@H]1CF)C(=O)C1(CC1)C#N)-c1ccc2CC(=O)Nc2c1
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(c1)C(F)F)C(N)=O)C(=O)C1(CC1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(C[C@H](O)C(F)(F)F)c1)C(N)=O)C(=O)C1(CC1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC(C)(C)O)c1)C(N)=O)C(=O)C1(CC1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(C[C@H](C)O)c1)C(N)=O)C(=O)C1(CC1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(C[C@@H](C)O)c1)C(N)=O)C(=O)C1(CC1)C#N
COc1cccc(n1)-c1cn2ncc(C(N)=O)c(N[C@@H]3CN(C[C@@H]3C)C(=O)C3(CC3)C#N)c2n1
CC(C)(C#N)C(=O)N1C[C@H](CF)[C@@H](C1)Nc1c(cnn2cc(nc12)-c1cn[nH]c1)C(N)=O
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cn[nH]c1)C(N)=O)C(=O)C1(CC1)C#N
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)C(=O)C1(CC1)C#N
Cc1noc(C)c1-c1cn2ncc(C(N)=O)c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c2n1
O=C1NCN(C2CCCCC2)c2c1cnc1[nH]ccc21
FC(F)(Br)CNC[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(7.34,3.85,;6,3.08,;6,1.54,;7.34,2.31,;4.67,3.85,;3.33,3.08,;2,3.85,;.67,3.08,;-.67,3.85,;-2,3.08,;-2,1.54,;-.67,.77,;.67,1.54,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.54,-3.56,;.37,-2.31,;-.54,-1.06,;-2,-1.54,;-3.33,-.77,)|
CN1CN(C2CCCCC2)c2c(cnc3[nH]ccc23)C1=O
FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(2.59,-9.23,;1.78,-7.92,;3.09,-7.11,;.47,-8.73,;.97,-6.61,;1.69,-5.25,;.88,-3.94,;1.61,-2.59,;3.15,-2.54,;3.88,-1.18,;3.07,.13,;1.53,.08,;.8,-1.28,;3.79,1.49,;5.33,1.53,;6.06,2.89,;5.25,4.2,;5.98,5.56,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;2.98,2.79,)|
O=C1N(CC#N)CN(C2CCCCC2)c2c1cnc1[nH]ccc21
CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)N1CN(CC(F)(F)F)C(=O)c2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(-.03,-6.08,;-1.39,-5.35,;-2.11,-6.7,;-2.74,-4.62,;-.66,-3.99,;.88,-3.94,;1.61,-2.59,;3.15,-2.54,;3.88,-1.18,;3.07,.13,;1.53,.08,;.8,-1.28,;3.79,1.49,;5.33,1.53,;6.06,2.89,;7.6,2.94,;8.33,4.3,;9.06,5.65,;6.97,5.02,;9.69,3.57,;5.25,4.2,;5.98,5.56,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;2.98,2.79,)|
FC(F)(F)CN1CN([C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:8.7,wD:11.11,(9.06,5.65,;8.33,4.3,;6.97,5.02,;9.69,3.57,;7.6,2.94,;6.06,2.89,;5.33,1.53,;3.79,1.49,;3.07,.13,;3.88,-1.18,;3.15,-2.54,;1.61,-2.59,;.88,-3.94,;1.69,-5.25,;.97,-6.61,;-.39,-5.88,;2.32,-7.34,;.24,-7.97,;.29,-9.5,;-1.07,-8.78,;.8,-1.28,;1.53,.08,;2.98,2.79,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;5.25,4.2,;5.98,5.56,)|
OC[C@H]1CC[C@@H](CC1)N1CN(CC#N)C(=O)c2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(1.69,-5.25,;.88,-3.94,;1.61,-2.59,;3.15,-2.54,;3.88,-1.18,;3.07,.13,;1.53,.08,;.8,-1.28,;3.79,1.49,;5.33,1.53,;6.06,2.89,;7.6,2.94,;8.33,4.3,;9.06,5.65,;5.25,4.2,;5.98,5.56,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;2.98,2.79,)|
O=C1N(CN([C@H]2CC[C@H](CNCC#N)CC2)c2c1cnc1[nH]ccc21)C1CC1 |r,wU:5.4,wD:8.8,(9.57,-1.94,;8.84,-.59,;9.65,.72,;8.92,2.08,;7.38,2.13,;6.66,3.48,;5.12,3.53,;4.39,4.89,;5.2,6.2,;4.47,7.56,;2.93,7.6,;2.21,8.96,;.67,9.01,;-.87,9.06,;6.74,6.15,;7.47,4.79,;6.57,.82,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;11.19,.67,;12.55,1.4,;12.5,-.14,)|
CCN1CN([C@H]2CC[C@H](CNCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:5.4,wD:8.8,(11.92,-.68,;11.19,.67,;9.65,.72,;8.92,2.08,;7.38,2.13,;6.66,3.48,;5.12,3.53,;4.39,4.89,;5.2,6.2,;4.47,7.56,;2.93,7.6,;2.21,8.96,;.67,9.01,;-.87,9.06,;6.74,6.15,;7.47,4.79,;6.57,.82,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;8.84,-.59,;9.57,-1.94,)|
FC(F)(F)CN1CN([C@H]2CC[C@H](CNCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:8.7,wD:11.11,(9.06,5.65,;8.33,4.3,;6.97,5.02,;9.69,3.57,;7.6,2.94,;6.06,2.89,;5.33,1.53,;3.79,1.49,;3.07,.13,;3.88,-1.18,;3.15,-2.54,;1.61,-2.59,;.88,-3.94,;1.69,-5.25,;.97,-6.61,;1.78,-7.92,;2.59,-9.23,;.8,-1.28,;1.53,.08,;2.98,2.79,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;5.25,4.2,;5.98,5.56,)|
CN1CN([C@H]2CC[C@H](CNCC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(11.19,.67,;9.65,.72,;8.92,2.08,;7.38,2.13,;6.66,3.48,;5.12,3.53,;4.39,4.89,;5.2,6.2,;4.47,7.56,;2.93,7.6,;2.21,8.96,;.67,9.01,;-.87,9.06,;.71,10.55,;.62,7.47,;6.74,6.15,;7.47,4.79,;6.57,.82,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;8.84,-.59,;9.57,-1.94,)|
CN1CN([C@H]2CC[C@@H](CC2)C(F)F)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.10,(7.6,2.94,;6.06,2.89,;5.33,1.53,;3.79,1.49,;3.07,.13,;3.88,-1.18,;3.15,-2.54,;1.61,-2.59,;.8,-1.28,;1.53,.08,;.88,-3.94,;1.69,-5.25,;-.66,-3.99,;2.98,2.79,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;5.25,4.2,;5.98,5.56,)|
CN1CN([C@H]2CC[C@H](CF)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(7.6,2.94,;6.06,2.89,;5.33,1.53,;3.79,1.49,;3.07,.13,;3.88,-1.18,;3.15,-2.54,;1.61,-2.59,;.88,-3.94,;1.69,-5.25,;.8,-1.28,;1.53,.08,;2.98,2.79,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;5.25,4.2,;5.98,5.56,)|
FC(F)(F)C1(CC1)NC[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(-1.96,-5.65,;-.5,-6.13,;-.98,-7.59,;-.02,-4.66,;.97,-6.61,;2.18,-7.56,;.75,-8.13,;1.69,-5.25,;.88,-3.94,;1.61,-2.59,;3.15,-2.54,;3.88,-1.18,;3.07,.13,;1.53,.08,;.8,-1.28,;3.79,1.49,;5.33,1.53,;6.06,2.89,;5.25,4.2,;5.98,5.56,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;2.98,2.79,)|
CN1CN([C@H]2CC[C@H](CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(7.6,2.94,;6.06,2.89,;5.33,1.53,;3.79,1.49,;3.07,.13,;3.88,-1.18,;3.15,-2.54,;1.61,-2.59,;.88,-3.94,;1.69,-5.25,;.97,-6.61,;1.78,-7.92,;1.05,-9.27,;3.32,-7.87,;.8,-1.28,;1.53,.08,;2.98,2.79,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;5.25,4.2,;5.98,5.56,)|
CN(CC#N)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)c2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(3.23,-5.2,;1.69,-5.25,;.97,-6.61,;1.78,-7.92,;2.59,-9.23,;.88,-3.94,;1.61,-2.59,;3.15,-2.54,;3.88,-1.18,;3.07,.13,;1.53,.08,;.8,-1.28,;3.79,1.49,;5.33,1.53,;6.06,2.89,;7.6,2.94,;5.25,4.2,;5.98,5.56,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;2.98,2.79,)|
CN1CN([C@H]2CC[C@H](CNCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:7.7,wD:4.3,(11.19,.67,;9.65,.72,;8.92,2.08,;7.38,2.13,;6.66,3.48,;7.47,4.79,;6.74,6.15,;5.2,6.2,;4.47,7.56,;2.93,7.6,;2.21,8.96,;.67,9.01,;-.87,9.06,;4.39,4.89,;5.12,3.53,;6.57,.82,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;8.84,-.59,;9.57,-1.94,)|
CN(C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)c2cnc3[nH]ccc3c12)S(C)(=O)=O |r,wU:6.9,wD:3.2,(3.23,-5.2,;1.69,-5.25,;.88,-3.94,;1.61,-2.59,;3.15,-2.54,;3.88,-1.18,;3.07,.13,;1.53,.08,;.8,-1.28,;3.79,1.49,;5.33,1.53,;6.06,2.89,;7.6,2.94,;5.25,4.2,;5.98,5.56,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;2.98,2.79,;.97,-6.61,;-.39,-5.88,;.24,-7.97,;2.32,-7.34,)|
COCCN1CN([C@H]2CC[C@H](CNCC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:7.6,wD:10.10,(14.19,-2.09,;13.46,-.73,;11.92,-.68,;11.19,.67,;9.65,.72,;8.92,2.08,;7.38,2.13,;6.66,3.48,;5.12,3.53,;4.39,4.89,;5.2,6.2,;4.47,7.56,;2.93,7.6,;2.21,8.96,;.67,9.01,;-.87,9.06,;.71,10.55,;.62,7.47,;6.74,6.15,;7.47,4.79,;6.57,.82,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;8.84,-.59,;9.57,-1.94,)|
CSCN1CN([C@H]2CC[C@H](CNCC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:6.5,wD:9.9,(13.46,-.73,;11.92,-.68,;11.19,.67,;9.65,.72,;8.92,2.08,;7.38,2.13,;6.66,3.48,;5.12,3.53,;4.39,4.89,;5.2,6.2,;4.47,7.56,;2.93,7.6,;2.21,8.96,;.67,9.01,;-.87,9.06,;.71,10.55,;.62,7.47,;6.74,6.15,;7.47,4.79,;6.57,.82,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;8.84,-.59,;9.57,-1.94,)|
FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CC(F)(F)F)C(=O)c2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(-.87,9.06,;.67,9.01,;.71,10.55,;.62,7.47,;2.21,8.96,;2.93,7.6,;4.47,7.56,;5.2,6.2,;4.39,4.89,;5.12,3.53,;6.66,3.48,;7.47,4.79,;6.74,6.15,;7.38,2.13,;8.92,2.08,;9.65,.72,;11.19,.67,;11.92,-.68,;12.65,-2.04,;13.28,.04,;10.56,-1.41,;8.84,-.59,;9.57,-1.94,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;6.57,.82,)|
COCN1CN([C@H]2CC[C@H](CNCC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:6.5,wD:9.9,(13.46,-.73,;11.92,-.68,;11.19,.67,;9.65,.72,;8.92,2.08,;7.38,2.13,;6.66,3.48,;5.12,3.53,;4.39,4.89,;5.2,6.2,;4.47,7.56,;2.93,7.6,;2.21,8.96,;.67,9.01,;-.87,9.06,;.71,10.55,;.62,7.47,;6.74,6.15,;7.47,4.79,;6.57,.82,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;8.84,-.59,;9.57,-1.94,)|
CN1CN([C@H]2CC[C@H](CNC3CC3)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(7.6,2.94,;6.06,2.89,;5.33,1.53,;3.79,1.49,;3.07,.13,;3.88,-1.18,;3.15,-2.54,;1.61,-2.59,;.88,-3.94,;1.69,-5.25,;.97,-6.61,;1.01,-8.15,;-.34,-7.42,;.8,-1.28,;1.53,.08,;2.98,2.79,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;5.25,4.2,;5.98,5.56,)|
FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CC2CC2)C(=O)c2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(-.87,9.06,;.67,9.01,;.71,10.55,;.62,7.47,;2.21,8.96,;2.93,7.6,;4.47,7.56,;5.2,6.2,;4.39,4.89,;5.12,3.53,;6.66,3.48,;7.47,4.79,;6.74,6.15,;7.38,2.13,;8.92,2.08,;9.65,.72,;11.19,.67,;11.92,-.68,;13.23,-1.49,;11.87,-2.22,;8.84,-.59,;9.57,-1.94,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;6.57,.82,)|
FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CC2CCCO2)C(=O)c2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(-.87,9.06,;.67,9.01,;.71,10.55,;.62,7.47,;2.21,8.96,;2.93,7.6,;4.47,7.56,;5.2,6.2,;4.39,4.89,;5.12,3.53,;6.66,3.48,;7.47,4.79,;6.74,6.15,;7.38,2.13,;8.92,2.08,;9.65,.72,;11.19,.67,;11.92,-.68,;13.44,-.89,;13.72,-2.41,;12.36,-3.14,;11.25,-2.07,;8.84,-.59,;9.57,-1.94,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;6.57,.82,)|
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FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(C2CC2)C(=O)c2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(-.87,9.06,;.67,9.01,;.71,10.55,;.62,7.47,;2.21,8.96,;2.93,7.6,;4.47,7.56,;5.2,6.2,;4.39,4.89,;5.12,3.53,;6.66,3.48,;7.47,4.79,;6.74,6.15,;7.38,2.13,;8.92,2.08,;9.65,.72,;11.19,.67,;12.55,1.4,;12.5,-.14,;8.84,-.59,;9.57,-1.94,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;6.57,.82,)|
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CN(CC#N)C[C@H]1CC[C@@H](CC1)N1CN(CC(F)(F)F)C(=O)c2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(4,1.54,;4,3.08,;5.33,3.85,;5.33,5.39,;5.33,6.93,;2.67,3.85,;1.33,3.08,;,3.85,;-1.33,3.08,;-1.33,1.54,;,.77,;1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-9.34,1.54,;-9.09,-.32,;-7.23,-.56,;-5.33,-.77,;-6.67,-1.54,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;.13,-3.56,;1.04,-2.31,;.13,-1.06,;-1.33,-1.54,;-2.67,-.77,)|
CN(C[C@H]1CC[C@@H](CC1)N1CN(CC#N)C(=O)c2cnc3[nH]ccc3c12)CC(F)(F)F |r,wU:6.9,wD:3.2,(4.67,1.26,;4.67,2.8,;3.33,3.57,;2,2.8,;.67,3.57,;-.67,2.8,;-.67,1.26,;.67,.49,;2,1.26,;-2,.49,;-3.33,1.26,;-4.67,.49,;-6,1.26,;-7.34,.49,;-8.67,-.28,;-4.67,-1.05,;-6,-1.82,;-3.33,-1.82,;-3.33,-3.36,;-2,-4.13,;-.67,-3.36,;.8,-3.84,;1.7,-2.59,;.8,-1.35,;-.67,-1.82,;-2,-1.05,;6,3.57,;7.34,2.8,;8.67,2.03,;8.11,4.13,;6.57,1.46,)|
F[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)N2CNC(=O)c3cnc4[nH]ccc4c23)C1 |wU:1.0,9.12,wD:6.5,(2.17,-9.21,;2.29,-7.67,;3.6,-6.86,;3.23,-5.36,;1.69,-5.25,;.88,-3.94,;1.61,-2.59,;3.15,-2.54,;3.88,-1.18,;3.07,.13,;1.53,.08,;.8,-1.28,;3.79,1.49,;5.33,1.53,;6.06,2.89,;5.25,4.2,;5.98,5.56,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;2.98,2.79,;1.11,-6.68,)|
CN1CN([C@H]2CC[C@H](COCCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(,-12.32,;,-10.78,;1.33,-10.01,;1.33,-8.47,;2.67,-7.7,;2.67,-6.16,;4,-5.39,;5.33,-6.16,;6.67,-5.39,;8,-6.16,;9.34,-5.39,;10.67,-6.16,;12,-5.39,;13.34,-4.62,;5.33,-7.7,;4,-8.47,;,-7.7,;-1.33,-8.47,;-2.67,-7.7,;-2.67,-6.16,;-1.33,-5.39,;-1.01,-3.88,;.52,-3.72,;1.14,-5.13,;,-6.16,;-1.33,-10.01,;-2.67,-10.78,)|
CN1CN([C@H]2CC[C@H](CNC3(CC3)C#N)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(11.19,.67,;9.65,.72,;8.92,2.08,;7.38,2.13,;6.66,3.48,;5.12,3.53,;4.39,4.89,;5.2,6.2,;4.47,7.56,;5.28,8.86,;4.56,10.22,;4.34,11.75,;5.77,11.17,;3.09,9.74,;1.63,9.26,;6.74,6.15,;7.47,4.79,;6.57,.82,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;8.84,-.59,;9.57,-1.94,)|
CN1CN([C@H]2CC[C@H](CNC3(CC3)C(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(11.19,.67,;9.65,.72,;8.92,2.08,;7.38,2.13,;6.66,3.48,;5.12,3.53,;4.39,4.89,;5.2,6.2,;4.47,7.56,;5.28,8.86,;4.56,10.22,;4.34,11.75,;5.77,11.17,;3.09,9.74,;1.63,9.26,;2.61,11.2,;3.57,8.28,;6.74,6.15,;7.47,4.79,;6.57,.82,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;8.84,-.59,;9.57,-1.94,)|
FC(F)CNC[C@H]1CC[C@@H](CC1)N1CN(C2CC2)C(=O)c2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(4.64,12.89,;5.37,11.53,;6.91,11.48,;4.56,10.22,;5.28,8.86,;4.47,7.56,;5.2,6.2,;4.39,4.89,;5.12,3.53,;6.66,3.48,;7.47,4.79,;6.74,6.15,;7.38,2.13,;8.92,2.08,;9.65,.72,;11.19,.67,;12.55,1.4,;12.5,-.14,;8.84,-.59,;9.57,-1.94,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;6.57,.82,)|
CCN1CN([C@H]2CC[C@H](CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:5.4,wD:8.8,(8.33,4.3,;7.6,2.94,;6.06,2.89,;5.33,1.53,;3.79,1.49,;3.07,.13,;3.88,-1.18,;3.15,-2.54,;1.61,-2.59,;.88,-3.94,;1.69,-5.25,;.97,-6.61,;1.78,-7.92,;1.05,-9.27,;3.32,-7.87,;.8,-1.28,;1.53,.08,;2.98,2.79,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;5.25,4.2,;5.98,5.56,)|
COCN1CN([C@H]2CC[C@H](CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:6.5,wD:9.9,(7.52,5.61,;8.33,4.3,;7.6,2.94,;6.06,2.89,;5.33,1.53,;3.79,1.49,;3.07,.13,;3.88,-1.18,;3.15,-2.54,;1.61,-2.59,;.88,-3.94,;1.69,-5.25,;.97,-6.61,;1.78,-7.92,;1.05,-9.27,;3.32,-7.87,;.8,-1.28,;1.53,.08,;2.98,2.79,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;5.25,4.2,;5.98,5.56,)|
FC(F)(F)C1(CC1)NC[C@H]1CC[C@@H](CC1)N1CN(CC#N)C(=O)c2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(1.03,-7.25,;-.18,-6.3,;-1.13,-7.51,;.78,-5.09,;-1.39,-5.35,;-2.53,-6.37,;-2.85,-4.87,;-.66,-3.99,;.88,-3.94,;1.61,-2.59,;3.15,-2.54,;3.88,-1.18,;3.07,.13,;1.53,.08,;.8,-1.28,;3.79,1.49,;5.33,1.53,;6.06,2.89,;7.6,2.94,;8.33,4.3,;9.06,5.65,;5.25,4.2,;5.98,5.56,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;2.98,2.79,)|
FC(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CC#N)C(=O)c2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(1.05,-9.27,;1.78,-7.92,;3.32,-7.87,;.97,-6.61,;1.69,-5.25,;.88,-3.94,;1.61,-2.59,;3.15,-2.54,;3.88,-1.18,;3.07,.13,;1.53,.08,;.8,-1.28,;3.79,1.49,;5.33,1.53,;6.06,2.89,;7.6,2.94,;8.33,4.3,;9.06,5.65,;5.25,4.2,;5.98,5.56,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;2.98,2.79,)|
CN(CC#N)C[C@H]1CC[C@@H](CC1)N1CN(C2CC2)C(=O)c2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(2.12,6.29,;2.93,7.6,;2.21,8.96,;.67,9.01,;-.87,9.06,;4.47,7.56,;5.2,6.2,;4.39,4.89,;5.12,3.53,;6.66,3.48,;7.47,4.79,;6.74,6.15,;7.38,2.13,;8.92,2.08,;9.65,.72,;11.19,.67,;12.55,1.4,;12.5,-.14,;8.84,-.59,;9.57,-1.94,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;6.57,.82,)|
CCN1CN([C@H]2CC[C@H](CN(C)CC#N)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:5.4,wD:8.8,(11.92,-.68,;11.19,.67,;9.65,.72,;8.92,2.08,;7.38,2.13,;6.66,3.48,;5.12,3.53,;4.39,4.89,;5.2,6.2,;4.47,7.56,;2.93,7.6,;2.12,6.29,;2.21,8.96,;.67,9.01,;-.87,9.06,;6.74,6.15,;7.47,4.79,;6.57,.82,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;8.84,-.59,;9.57,-1.94,)|
O=C1N(CC#N)CN([C@H]2CC[C@H](CNC3CC3)CC2)c2c1cnc1[nH]ccc21 |r,wU:8.7,wD:11.11,(5.98,5.56,;5.25,4.2,;6.06,2.89,;7.6,2.94,;8.33,4.3,;9.06,5.65,;5.33,1.53,;3.79,1.49,;3.07,.13,;3.88,-1.18,;3.15,-2.54,;1.61,-2.59,;.88,-3.94,;1.69,-5.25,;.97,-6.61,;1.01,-8.15,;-.34,-7.42,;.8,-1.28,;1.53,.08,;2.98,2.79,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,)|
FC[C@H]1CC[C@@H](CC1)N1CN(C2CC2)C(=O)c2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(2.93,7.6,;4.47,7.56,;5.2,6.2,;4.39,4.89,;5.12,3.53,;6.66,3.48,;7.47,4.79,;6.74,6.15,;7.38,2.13,;8.92,2.08,;9.65,.72,;11.19,.67,;12.55,1.4,;12.5,-.14,;8.84,-.59,;9.57,-1.94,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;6.57,.82,)|
CN1CN([C@H]2CC[C@H](CN3CC(O)C3)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(7.6,2.94,;6.06,2.89,;5.33,1.53,;3.79,1.49,;3.07,.13,;3.88,-1.18,;3.15,-2.54,;1.61,-2.59,;.88,-3.94,;1.69,-5.25,;1.34,-6.75,;2.84,-7.1,;3.65,-8.41,;3.19,-5.6,;.8,-1.28,;1.53,.08,;2.98,2.79,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;5.25,4.2,;5.98,5.56,)|
CN(C[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12)CC(F)(F)F |r,wU:6.9,wD:3.2,(3.33,1.26,;3.33,2.8,;2,3.57,;.67,2.8,;-.67,3.57,;-2,2.8,;-2,1.26,;-.67,.49,;.67,1.26,;-3.33,.49,;-4.67,1.26,;-6,.49,;-6,-1.05,;-7.34,-1.82,;-4.67,-1.82,;-4.67,-3.36,;-3.33,-4.13,;-2,-3.36,;-.54,-3.84,;.37,-2.59,;-.54,-1.35,;-2,-1.82,;-3.33,-1.05,;4.67,3.57,;4.67,5.11,;4.67,6.65,;6.21,5.11,;3.13,5.11,)|
FC(F)(F)CN1CN([C@H]2CC[C@H](CN3CCCS3(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:8.7,wD:11.11,(-8.68,.66,;-7.19,.26,;-7.59,-1.23,;-5.86,-.51,;-5.86,1.03,;-4.52,.26,;-3.19,1.03,;-1.86,.26,;-.52,1.03,;-.52,2.57,;.81,3.34,;2.15,2.57,;3.48,3.34,;4.81,2.57,;4.81,1.03,;6.27,.54,;7.19,1.77,;6.27,3.03,;5.5,4.36,;7.04,4.36,;2.15,1.03,;.81,.26,;-1.86,-1.28,;-3.19,-2.05,;-3.19,-3.59,;-1.86,-4.36,;-.52,-3.59,;.94,-4.07,;1.85,-2.82,;.94,-1.58,;-.52,-2.05,;-4.52,-1.28,;-5.86,-2.05,)|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)OC(C)(C)C)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)CO)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(C)=O)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)C1CC1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@@]2(C)C1)C(=O)CO)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)S(=O)(=O)C1CC1)c1ncnc2[nH]ccc12 |r|
C[C@H](O)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
COCC(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
C[C@@H](O)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)CNS(C)(=O)=O)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)CCC#N)c1ncnc2[nH]ccc12 |r|
CN([C@H]1C[C@H]2CN(C[C@H]2C1)C(=O)CO)c1ncnc2[nH]ccc12 |r|
COC(=O)CN1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(CC#N)C[C@H]2C1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(CCC#N)C[C@H]2C1)c1ncnc2[nH]ccc12 |r|
COc1nsc(NC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1 |r|
CN(C1C[C@@H]2CCN(C[C@@H]2C1)C(C)=O)c1ncnc2[nH]ccc12 |r|
COC(=O)N1CC[C@H]2CC(C[C@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
CN(C1C[C@@H]2CCN(C[C@@H]2C1)C(=O)CO)c1ncnc2[nH]ccc12 |r|
CN(C1C[C@@H]2CCN(C[C@@H]2C1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r|
CN([C@H]1C[C@H]2CNC(=O)C[C@H]2C1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CNC(=O)C[C@H]2C1)c1ncnc2[nH]ccc12 |r|
CCc1nsc(NC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(ns1)C1CC1)c1ncnc2[nH]ccc12 |r|
CN(C1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(CO)ns1)c1ncnc2[nH]ccc12 |r|
CN(C1C[C@H]2CN(C[C@H]2C1)S(C)(=O)=O)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(CC(F)(F)F)C[C@H]2C1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)c1nc(C)no1)c1ncnc2[nH]ccc12 |r|
CN(C1C[C@H]2CN(C[C@H]2C1)c1nc(C)ns1)c1ncnc2[nH]ccc12 |r|
CN([C@H]1C[C@H]2CN(CCC#N)C[C@H]2C1)c1ncnc2[nH]ccc12 |r|
CN([C@H]1C[C@H]2CN(CC#N)C[C@H]2C1)c1ncnc2[nH]ccc12 |r|
C[C@H](O)C(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
C[C@@H](O)C(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nncs1)c1ncnc2[nH]ccc12 |r|
COc1nsc(NC(=O)N2C[C@@H]3C[C@@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1 |r|
CN([C@H]1C[C@H]2CN(C[C@H]2C1)C(=O)CCC#N)c1ncnc2[nH]ccc12 |r|
CNC(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)[C@H](O)c1ccccc1)c1ncnc2[nH]ccc12 |r|
CC(C#N)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)C(C)(C)O)c1ncnc2[nH]ccc12 |r|
CCC(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Cc1nn[nH]n1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nncs1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)[C@H](O)CO)c1ncnc2[nH]ccc12 |r|
CC[C@H](O)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)[C@H](O)C(F)(F)F)c1ncnc2[nH]ccc12 |r|
CN(C1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(OCC(C)(C)O)ns1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1ccn(C)n1)c1ncnc2[nH]ccc12 |r|
COc1cncc(NC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)c1 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)OCC(F)(F)F)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)CO)c1ccnc2[nH]ccc12 |r|
COc1nsc(NC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ccnc3[nH]ccc23)n1 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(C)ns1)c1ccnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1ncc(C)s1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1cc(C)ns1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1cnc(C)s1)c1ncnc2[nH]ccc12 |r|
CN(C1C[C@H]2CN(C[C@H]2C1)C(=O)CO)c1ncnc2[nH]cc(F)c12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)CO)c1ncnc2[nH]c(F)cc12 |r|
CN(C1CC2CNC(=O)CC2C1)c1ncnc2[nH]ccc12
CN([C@@H]1C[C@@H]2CCN(C[C@@H]2C1)C(=O)Nc1nncs1)c1ncnc2[nH]ccc12 |r|
CC(C)C(=O)N1CC[C@H]2C[C@H](C[C@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
COc1nnc(NC(=O)N2C[C@@H]3CC(C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)s1 |r|
CN(C1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(O)ns1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)OO)c1ncnc2[nH]ccc12 |r|
CN([C@H]1C[C@@H]2CN(C[C@]2(C)C1)C(=O)OC(C)(C)C)c1ncnc2[nH]ccc12 |r|
CN([C@H]1C[C@H]2CN(C[C@H]2C1)C(=O)OC(C)(C)C)c1ncnc2[nH]ccc12 |r|
CN(Cc1ccccc1)C1C[C@H]2CCN(C[C@H]2C1)C(=O)OC(C)(C)C |r|
COC(=O)N1CC[C@H]2C[C@@H](C[C@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
COC(=O)c1nsc(NC(=O)N2C[C@@H]3CC(C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)c1nc(C)ns1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Oc1nc(OCC(C)(C)O)ns1)c1ncnc2[nH]ccc12 |r|
CCc1nsc(OC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1 |r|
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCC2=O)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCS2(=O)=O)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)n2cncn2)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(C2)N2CCCC2)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2CCS(=O)(=O)CC2)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2CCS(=O)(=O)C2)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOC2=O)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2CCOCC2)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CC3CC(C2)O3)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCNC2=O)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)c2nnco2)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCCO3)CC2)n1
Cc1nnc(o1)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CC3OCCOC3C2)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCC(=O)O3)CC2)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)c2n[nH]c(=O)o2)n1
COc1nnc(o1)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2=NCCN2)n1 |t:33|
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C2=NCCN2)n1 |t:33|
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(C2)N2CC3OCCOC3C2)n1
Cc1nnc(o1)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2C3CCC2COC3)n1
CC(=O)N1C2CC1CN(C2)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N
Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCC2=O)nc1-c1ccc(cc1)C(=O)NCC#N
Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCCO3)CC2)nc1-c1ccc(cc1)C(=O)NCC#N
Cc1nnc(o1)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Fc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|
C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F |r|
Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
N#CCC(C1CCN(C1)c1nc2cccnc2o1)n1cc(cn1)-c1ncnc2[nH]ccc12
Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2cc(cn2)-c2ncnc3[nH]ccc23)CC1)C#N
Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2ccc(c2)-c2ncnc3[nH]ccc23)CC1)C#N
Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(c1)C(F)(F)F
FC(F)(F)c1nccc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
FC(F)(F)c1nccc(n1)C(=O)N1CCN(CC1)[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r,wU:20
OC1CN(Cc2cc(OC3CCN(CC3)[C@H]3C[C@@](CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1 |r,wU:17.23,wD:15.15,(2.14,12.62,;1.05,11.53,;1.05,9.99,;-.49,9.99,;-1.58,8.91,;-1.18,7.42,;-2.27,6.33,;-1.87,4.84,;-2.96,3.75,;-2.56,2.27,;-3.65,1.18,;-3.25,-.31,;-1.77,-.71,;-.68,.38,;-1.08,1.87,;-1.37,-2.2,;-2.14,-3.53,;-.8,-4.3,;.68,-4.7,;1.77,-3.61,;2.86,-2.52,;-.03,-2.97,;-1.57,-5.63,;-1.1,-7.1,;-2.34,-8,;-3.59,-7.1,;-3.11,-5.63,;-2.34,-9.54,;-3.68,-10.31,;-3.68,-11.85,;-2.34,-12.62,;-1.01,-11.85,;.45,-12.33,;1.36,-11.08,;.45,-9.84,;-1.01,-10.31,;-.39,4.44,;.7,5.53,;.3,7.02,;2.19,5.13,;3.28,6.22,;2.59,3.65,;3.68,4.74,;-.49,11.53,)|
OC[C@@H]1CCCN1Cc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:20.27,2.1,wD:18.19,(3.36,8.8,;1.82,8.8,;1.05,10.14,;1.52,11.59,;.29,12.48,;-.95,11.59,;-.49,10.14,;-1.58,9.05,;-1.18,7.56,;-2.27,6.47,;-1.87,4.98,;-2.96,3.9,;-2.56,2.41,;-3.65,1.32,;-3.25,-.17,;-1.77,-.57,;-.68,.52,;-1.08,2.01,;-1.37,-2.05,;-2.14,-3.39,;-.8,-4.16,;.68,-4.56,;1.77,-3.47,;2.86,-2.38,;-.03,-2.82,;-1.57,-5.49,;-1.1,-6.96,;-2.34,-7.86,;-3.59,-6.96,;-3.11,-5.49,;-2.34,-9.4,;-3.68,-10.17,;-3.68,-11.71,;-2.34,-12.48,;-1.01,-11.71,;.45,-12.19,;1.36,-10.94,;.45,-9.7,;-1.01,-10.17,;-.39,4.59,;.7,5.67,;.3,7.16,;2.19,5.28,;3.28,6.37,;2.59,3.79,;3.68,4.88,)|
OC[C@H]1CCCN1Cc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:20.27,wD:18.19,2.1,(3.36,8.8,;1.82,8.8,;1.05,10.14,;1.52,11.59,;.29,12.48,;-.95,11.59,;-.49,10.14,;-1.58,9.05,;-1.18,7.56,;-2.27,6.47,;-1.87,4.98,;-2.96,3.9,;-2.56,2.41,;-3.65,1.32,;-3.25,-.17,;-1.77,-.57,;-.68,.52,;-1.08,2.01,;-1.37,-2.05,;-2.14,-3.39,;-.8,-4.16,;.68,-4.56,;1.77,-3.47,;2.86,-2.38,;-.03,-2.82,;-1.57,-5.49,;-1.1,-6.96,;-2.34,-7.86,;-3.59,-6.96,;-3.11,-5.49,;-2.34,-9.4,;-3.68,-10.17,;-3.68,-11.71,;-2.34,-12.48,;-1.01,-11.71,;.45,-12.19,;1.36,-10.94,;.45,-9.7,;-1.01,-10.17,;-.39,4.59,;.7,5.67,;.3,7.16,;2.19,5.28,;3.28,6.37,;2.59,3.79,;3.68,4.88,)|
CN(C)Cc1cc(F)cc(OC2CCN(CC(CC#N)n3cc(cn3)-c3ncnc4[nH]ccc34)CC2)c1
CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|
OCCc1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(n1)C(F)(F)F |r,wU:10.13,7.6,(9.15,6.25,;7.82,5.48,;6.48,6.25,;5.15,5.48,;3.82,6.25,;2.48,5.48,;1.15,6.25,;-.18,5.48,;-.18,3.94,;-1.52,3.17,;-2.85,3.94,;-2.85,5.48,;-1.52,6.25,;-4.19,3.17,;-4.58,1.68,;-6.07,2.08,;-7.61,2.08,;-8.38,3.41,;-9.15,4.74,;-5.67,3.56,;-6.84,.74,;-6.37,-.72,;-7.61,-1.63,;-8.86,-.72,;-8.38,.74,;-7.61,-3.17,;-8.95,-3.94,;-8.95,-5.48,;-7.61,-6.25,;-6.28,-5.48,;-4.81,-5.95,;-3.91,-4.71,;-4.81,-3.46,;-6.28,-3.94,;2.48,3.94,;3.82,3.17,;5.15,3.94,;3.82,1.63,;5.15,.86,;2.48,.86,;3.82,.09,)|
CCNCc1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:11.14,8.7,(9.82,5.48,;8.48,6.25,;7.15,5.48,;5.82,6.25,;4.48,5.48,;3.15,6.25,;1.82,5.48,;.48,6.25,;-.85,5.48,;-.85,3.94,;-2.18,3.17,;-3.52,3.94,;-3.52,5.48,;-2.18,6.25,;-4.85,3.17,;-5.25,1.68,;-6.74,2.08,;-8.28,2.08,;-9.05,3.41,;-9.82,4.74,;-6.34,3.56,;-7.51,.74,;-7.03,-.72,;-8.28,-1.63,;-9.52,-.72,;-9.05,.74,;-8.28,-3.17,;-9.61,-3.94,;-9.61,-5.48,;-8.28,-6.25,;-6.94,-5.48,;-5.48,-5.95,;-4.57,-4.71,;-5.48,-3.46,;-6.94,-3.94,;1.82,3.94,;3.15,3.17,;4.48,3.94,;3.15,1.63,;4.48,.86,;1.82,.86,;3.15,.09,)|
CC(C)(O)c1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:11.14,8.7,(8.48,4.71,;7.15,5.48,;7.15,7.02,;8.48,6.25,;5.82,4.71,;4.48,5.48,;3.15,4.71,;1.82,5.48,;.48,4.71,;.48,3.17,;-.85,2.4,;-2.18,3.17,;-2.18,4.71,;-.85,5.48,;-3.52,2.4,;-3.92,.91,;-5.4,1.31,;-6.94,1.31,;-7.71,2.64,;-8.48,3.97,;-5.01,2.79,;-6.17,-.03,;-5.7,-1.49,;-6.94,-2.4,;-8.19,-1.49,;-7.71,-.03,;-6.94,-3.94,;-8.28,-4.71,;-8.28,-6.25,;-6.94,-7.02,;-5.61,-6.25,;-4.15,-6.72,;-3.24,-5.48,;-4.15,-4.23,;-5.61,-4.71,;3.15,3.17,;4.48,2.4,;5.82,3.17,;4.48,.86,;5.82,.09,;3.15,.09,;4.48,-.68,)|
O[C@@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1 |r,wU:13.16,10.9,1.0,(.78,4.73,;-.7,5.13,;-1.18,6.59,;-2.72,6.59,;-3.2,5.13,;-4.68,4.73,;-5.08,3.24,;-3.99,2.15,;-4.39,.66,;-3.3,-.43,;-1.81,-.03,;-1.42,1.46,;.07,1.86,;1.16,.77,;.76,-.72,;-.73,-1.12,;2.65,1.17,;3.42,2.5,;4.75,1.73,;5.52,3.07,;7.06,3.07,;8.6,3.07,;3.98,.4,;5.52,.4,;5.05,-1.07,;6.29,-1.97,;7.54,-1.07,;7.06,.4,;6.29,-3.51,;4.96,-4.28,;4.96,-5.82,;6.29,-6.59,;7.63,-5.82,;9.09,-6.3,;10,-5.05,;9.09,-3.81,;7.63,-4.28,;-5.88,.27,;-6.97,1.35,;-6.57,2.84,;-8.46,.96,;-9.54,2.04,;-8.85,-.53,;-10,.96,;-1.95,4.22,)|
O[C@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1 |r,wU:13.16,10.9,wD:1.0,(.78,4.73,;-.7,5.13,;-1.18,6.59,;-2.72,6.59,;-3.2,5.13,;-4.68,4.73,;-5.08,3.24,;-3.99,2.15,;-4.39,.66,;-3.3,-.43,;-1.81,-.03,;-1.42,1.46,;.07,1.86,;1.16,.77,;.76,-.72,;-.73,-1.12,;2.65,1.17,;3.42,2.5,;4.75,1.73,;5.52,3.07,;7.06,3.07,;8.6,3.07,;3.98,.4,;5.52,.4,;5.05,-1.07,;6.29,-1.97,;7.54,-1.07,;7.06,.4,;6.29,-3.51,;4.96,-4.28,;4.96,-5.82,;6.29,-6.59,;7.63,-5.82,;9.09,-6.3,;10,-5.05,;9.09,-3.81,;7.63,-4.28,;-5.88,.27,;-6.97,1.35,;-6.57,2.84,;-8.46,.96,;-9.54,2.04,;-8.85,-.53,;-10,.96,;-1.95,4.22,)|
C[C@@H](CO)NCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:18.24,1.0,wD:16.16,(-2.38,11.91,;-.89,11.51,;.2,12.6,;1.69,12.2,;-.49,10.02,;-1.58,8.93,;-1.18,7.44,;-2.27,6.36,;-1.87,4.87,;-2.96,3.78,;-2.56,2.29,;-3.65,1.2,;-3.25,-.28,;-1.77,-.68,;-.68,.41,;-1.08,1.89,;-1.37,-2.17,;-2.14,-3.5,;-.8,-4.27,;.68,-4.67,;1.77,-3.58,;2.86,-2.49,;-.03,-2.94,;-1.57,-5.61,;-1.1,-7.07,;-2.34,-7.98,;-3.59,-7.07,;-3.11,-5.61,;-2.34,-9.52,;-3.68,-10.29,;-3.68,-11.83,;-2.34,-12.6,;-1.01,-11.83,;.45,-12.3,;1.36,-11.06,;.45,-9.81,;-1.01,-10.29,;-.39,4.47,;.7,5.56,;.3,7.05,;2.19,5.16,;3.28,6.25,;2.59,3.67,;3.68,4.76,)|
C[C@@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:18.24,1.1,wD:16.16,(-.2,13.34,;.2,11.85,;1.69,11.45,;-.89,10.76,;-.49,9.28,;-1.58,8.19,;-1.18,6.7,;-2.27,5.61,;-1.87,4.12,;-2.96,3.04,;-2.56,1.55,;-3.65,.46,;-3.25,-1.03,;-1.77,-1.43,;-.68,-.34,;-1.08,1.15,;-1.37,-2.91,;-2.14,-4.25,;-.8,-5.02,;.68,-5.42,;1.77,-4.33,;2.86,-3.24,;-.03,-3.68,;-1.57,-6.35,;-1.1,-7.82,;-2.34,-8.72,;-3.59,-7.82,;-3.11,-6.35,;-2.34,-10.26,;-3.68,-11.03,;-3.68,-12.57,;-2.34,-13.34,;-1.01,-12.57,;.45,-13.05,;1.36,-11.8,;.45,-10.56,;-1.01,-11.03,;-.39,3.73,;.7,4.81,;.3,6.3,;2.19,4.42,;3.28,5.51,;2.59,2.93,;3.68,4.02,)|
C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:18.24,wD:16.16,1.1,(-.2,13.34,;.2,11.85,;1.69,11.45,;-.89,10.76,;-.49,9.28,;-1.58,8.19,;-1.18,6.7,;-2.27,5.61,;-1.87,4.12,;-2.96,3.04,;-2.56,1.55,;-3.65,.46,;-3.25,-1.03,;-1.77,-1.43,;-.68,-.34,;-1.08,1.15,;-1.37,-2.91,;-2.14,-4.25,;-.8,-5.02,;.68,-5.42,;1.77,-4.33,;2.86,-3.24,;-.03,-3.68,;-1.57,-6.35,;-1.1,-7.82,;-2.34,-8.72,;-3.59,-7.82,;-3.11,-6.35,;-2.34,-10.26,;-3.68,-11.03,;-3.68,-12.57,;-2.34,-13.34,;-1.01,-12.57,;.45,-13.05,;1.36,-11.8,;.45,-10.56,;-1.01,-11.03,;-.39,3.73,;.7,4.81,;.3,6.3,;2.19,4.42,;3.28,5.51,;2.59,2.93,;3.68,4.02,)|
OCCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:15.21,wD:13.13,(-.89,12.05,;-.49,10.57,;-1.58,9.48,;-1.18,7.99,;-2.27,6.9,;-1.87,5.41,;-2.96,4.32,;-2.56,2.84,;-3.65,1.75,;-3.25,.26,;-1.77,-.14,;-.68,.95,;-1.08,2.44,;-1.37,-1.63,;-2.14,-2.96,;-.8,-3.73,;.68,-4.13,;1.77,-3.04,;2.86,-1.95,;-.03,-2.4,;-1.57,-5.06,;-1.1,-6.53,;-2.34,-7.43,;-3.59,-6.53,;-3.11,-5.06,;-2.34,-8.97,;-3.68,-9.74,;-3.68,-11.28,;-2.34,-12.05,;-1.01,-11.28,;.45,-11.76,;1.36,-10.51,;.45,-9.27,;-1.01,-9.74,;-.39,5.01,;.7,6.1,;.3,7.59,;2.19,5.7,;3.28,6.79,;2.59,4.22,;3.68,5.31,)|
CN(C)Cc1cc(F)cc(OC2CCN(CC(CC#N)n3cc(cn3)-c3cccc4[nH]ccc34)CC2)c1
CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CC(O)(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
OC1(CCc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc12)C(F)(F)F |r|
O=c1[nH]ccc2n(nc(Nc3ccc4c(CCS4(=O)=O)c3)c12)[C@@H](CC#N)C1CC1 |r|
CC(C)(C)N1Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)C#N)c12)[C@@H](CC#N)C1CC1 |r|
FC(F)(F)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CS(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
Fc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc(F)c1F |r|
CN1Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
Fc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccn1 |r|
O=C1CCc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc12 |r|
O=c1[nH]ccc2n(nc(Nc3ccc4OCCc4c3)c12)[C@@H](CC#N)C1CC1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc4OCOc4c3)c12)[C@@H](CC#N)C1CC1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc4ncccc4c3)c12)[C@@H](CC#N)C1CC1 |r|
CS(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1F |r|
O=c1[nH]ccc2n(nc(Nc3ccc4nccnc4c3)c12)[C@@H](CC#N)C1CC1 |r|
Clc1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)NS(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)NC(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CCN(C)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)c12)[C@@H](CC#N)C1CC1 |r|
CC(C)N(C)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)c12)[C@@H](CC#N)C1CC1 |r|
CCN(CC)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC1(C)CCCN(C1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC1(C)CCN(C1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)N1Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2C1=O |r|
O=C1N(Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc12)C1CCCC1 |r|
O=C1N(Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc12)C1CCCCC1 |r|
CC1(C)CCCCN1S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)OC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
O[C@H]1CCN(C1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
O[C@@H]1CCN(C1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)C1CCN(C1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)C1CCCN1S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)OC(=O)C1CCN(C1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC1(C)CCCN1S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC1CCCN1S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)N3CCC3)c12)[C@@H](CC#N)C1CC1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)c12)[C@@H](CC#N)C1CC1 |r|
CC1(C)CN(C1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC1CN(C1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC1(C)CCN1S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC1(O)CN(C1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
OC1CN(C1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC1(C)COCCN1S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC1(C)CN(CCO1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC1COCCN1S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
OC1(CCN(C1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)N3CCOC4CCC[C@@H]34)c12)[C@@H](CC#N)C1CC1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)N3CCOC4CCC[C@H]34)c12)[C@@H](CC#N)C1CC1 |r|
C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC1CN(CCO1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC1CCN1S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
COC1CN(C1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
FC1CN(C1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(C)(O)C(F)(F)F |r|
CCC(O)(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CN(C(C)(C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)CN1Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2C1=O |r|
CCOC(=O)C(C)(C)N(C)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)OC(=O)C(C)(C)N1Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2C1=O |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1S(=O)(=O)N1CCCC1 |r|
CC1(C)CC2(CCC1C(=O)O2)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r,THB:9:8:5.6:1.3|
CN(C)C(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C)C(F)(F)F |r|
CC1(CC1)S(=O)(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)C(N1CCCC1)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)NC(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
FC(F)(F)C(N1CCC1)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CCNC(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC(C)(C)OC(=O)C1CCC(CC1)N1Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2C1=O |r,wU:22.22,(-14.46,.39,;-12.92,.39,;-12.92,1.93,;-12.92,-1.15,;-11.38,.39,;-10.61,-.94,;-11.38,-2.28,;-9.07,-.94,;-8.3,-2.28,;-6.76,-2.28,;-5.99,-.94,;-6.76,.39,;-8.3,.39,;-4.45,-.94,;-3.55,-2.19,;-2.08,-1.71,;-.75,-2.48,;.58,-1.71,;1.92,-2.48,;3.25,-1.71,;4.66,-2.34,;5.69,-1.19,;7.22,-1.36,;8.13,-.11,;9.66,-.27,;11.19,-.43,;7.85,-2.76,;9.09,-3.67,;7.69,-4.29,;4.92,.14,;5.4,1.6,;4.36,2.75,;2.86,2.43,;2.38,.96,;.88,.64,;3.41,-.18,;.58,-.17,;-.75,.6,;-2.08,-.17,;-3.55,.3,;-4.02,1.77,)|
CC(C)(N1Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2C1=O)C(O)=O |r|
CCOC(=O)C(C)(C)C(O)(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC(C)OC(=O)C(C)(C)C(O)(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC1(C)Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2C1(O)C(F)(F)F |r|
FC(F)(F)C1(CC1)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
COCCn1ccc(n1)-c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
Cn1ccc(n1)-c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1Cl |r|
Clc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1-c1ccn(CCC#N)n1 |r|
CCOC(=O)c1cnn(c1)-c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C |r|
CC(C)OC(=O)c1ccc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2n1 |r|
Cc1nc2ccc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)cc2s1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)-c3ncco3)c12)[C@@H](CC#N)C1CC1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)-c3cnco3)c12)[C@@H](CC#N)C1CC1 |r|
CC1(C)C(=O)Nc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc12 |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCS(=O)(=O)CC1 |r|
OC(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CS(=O)(=O)NC(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc4nc(ccc4c3)N3CCOCC3)c12)[C@@H](CC#N)C1CC1 |r|
C[C@@H]1CN([C@@H](C)CO1)c1ccc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2n1 |r|
C[C@H]1CN([C@@H](C)CO1)c1ccc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2n1 |r|
C[C@@H]1CN([C@H](C)CO1)c1ccc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2n1 |r|
COC(C)(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CCC1COCCN1C(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C |r|
CC(C)C1COCCN1C(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C |r|
CC(C)C(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C)n1nccn1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc4c(CN(Cc5ccccc5)S4(=O)=O)c3)c12)[C@@H](CC#N)C1CC1 |r|
CC(C)C(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C)n1ccnn1 |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(O)C(F)(F)F |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(C1CCCC1)n1nccn1 |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(N)C(F)(F)F |r|
O=c1[nH]ccc2n(nc(Nc3ccc4c(CN(C5CCCCC5)S4(=O)=O)c3)c12)[C@@H](CC#N)C1CC1 |r|
CC1(CCCCC1)N1Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CC1(C)C(O)c2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
OC1c2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2S(=O)(=O)C11CCCCC1 |r|
FC(F)(F)C1(CCCN1)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1S(=O)(=O)N1CC2(CCC2)C1 |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CC2(CCC2)C1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc4c(CC5(CCCC5)S4(=O)=O)c3)c12)[C@@H](CC#N)C1CC1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc4c(CC5(CCCCC5)S4(=O)=O)c3)c12)[C@@H](CC#N)C1CC1 |r|
C[C@@H]1[C@@H](O)c2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
C[C@H]1[C@H](O)c2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
C[C@@H]1[C@H](O)c2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
C[C@H]1[C@@H](O)c2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CC1Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C1(CCCN1)C(F)(F)F |r|
FC(F)(F)C1(CCCCC1)N1Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2C1=O |r|
CC1(CCOCC1)N1Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CN1CCCC1(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CN(C1CCOCC1)C(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C |r|
CC(C)NC(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1F)C(F)(F)F |r|
CCNC(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1F)C(F)(F)F |r|
CC(C)(C)NC(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1F)C(F)(F)F |r|
FC(F)(F)C1(CCCO1)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
OC1(Cc2ccc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)cc2C1)C(F)(F)F |r|
OC(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1F)C(F)(F)F |r|
OC(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1Cl)C(F)(F)F |r|
CC1(O)Cc2ccc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)cc2C1 |r|
CC(C)(C)NC(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1Cl)C(F)(F)F |r|
FC(F)(F)C1(CCCCN1)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
COC(=O)N1CCCC1(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC1(CCC(F)(F)CC1)N1Cc2cc(Nc3nn([C@@H](CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
OC(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1)(c1ccccn1)C(F)(F)F |r|
OC(c1ccncc1)(c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
FC(F)(F)C(N1CCSCC1)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1 |r|
CCN(CC(F)(F)F)C(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C |r|
CN(C)CCN(CC(F)(F)F)C(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCSCC1 |r|
CN1CCN(CC1)C(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCC[C@H]1C(F)(F)F |r|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C |r|
CCN(C)C(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCOCC1 |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCC(C)(C)C1 |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CC(C)(C)C1 |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCOC(C)(C)C1 |r|
C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)cc1C |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CC[C@@H](F)C1 |r|
Cc1cc(Nc2nn([C@@H](CC#N)C3CC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CC[C@H](F)C1 |r|
CC(CC#N)n1nc(Nc2ccc(cc2)C(C)(O)C(F)(F)F)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc3c(CCC3(O)C(F)(F)F)c2)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc3c(CCS3(=O)=O)c2)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc3c(C=CS3(=O)=O)c2)c2c1cc[nH]c2=O |c:14|
CC(CC#N)n1nc(Nc2ccc(cc2)C#N)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc(cc2)C(F)(F)F)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2cc(F)c(F)c(F)c2)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc3c(CN(C)S3(=O)=O)c2)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccnc(F)c2)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc3C(=O)CCc3c2)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc3OCCc3c2)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc3OCOc3c2)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc3ncccc3c2)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc(c(F)c2)S(C)(=O)=O)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc3nccnc3c2)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc(cc2)S(=O)(=O)NC(C)(C)C)c2c1cc[nH]c2=O
CC(CC#N)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]c(C)nc12 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-5.33,1.26,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;1.24,-2.59,;-1.2,-1.35,;-2.67,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]cnc12 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-5.33,1.26,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;-1.2,-1.35,;-2.67,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ncc12 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-5.33,1.26,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;-1.2,-1.35,;-2.67,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]c(nc12)-c1ccccc1 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-5.33,1.26,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;-1.2,-1.35,;-2.67,-1.82,;1.24,-2.59,;2.01,-3.93,;3.55,-3.93,;4.32,-2.59,;3.55,-1.26,;2.01,-1.26,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]c(Cc3ccccc3)nc12 |r,wU:9.12,wD:6.5,(5.33,4.03,;4,3.26,;2.67,4.03,;3.44,5.36,;1.9,2.69,;1.33,4.8,;,4.03,;-1.33,4.8,;-2.67,4.03,;-2.67,2.49,;-1.33,1.72,;,2.49,;-4,1.72,;-5.33,2.49,;-4,.18,;-5.33,-.59,;-5.33,-2.13,;-4,-2.9,;-2.67,-2.13,;-1.2,-2.61,;-.3,-1.36,;1.24,-1.36,;2.01,-2.69,;1.24,-4.03,;2.01,-5.36,;3.55,-5.36,;4.32,-4.03,;3.55,-2.69,;-1.2,-.12,;-2.67,-.59,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Oc1ncnn2cccc12 |r,wU:6.5,wD:9.12,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;,1.26,;-1.33,.49,;-2.67,1.26,;-2.67,2.8,;-1.33,3.57,;-4,.49,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;-1.2,-1.35,;-2.67,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1nc(N)ncc1Br |r,wU:9.12,wD:6.5,(6,2.8,;4.67,2.03,;3.33,2.8,;4.1,4.13,;2.56,1.46,;2,3.57,;.67,2.8,;-.67,3.57,;-2,2.8,;-2,1.26,;-.67,.49,;.67,1.26,;-3.33,.49,;-4.67,1.26,;-3.33,-1.05,;-2,-1.82,;-2,-3.36,;-.67,-4.13,;-3.33,-4.13,;-4.67,-3.36,;-4.67,-1.82,;-6,-1.05,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1ncnc2sccc12 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;-1.2,-1.35,;-2.67,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2sccc12 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-5.33,1.26,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;-1.2,-1.35,;-2.67,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1cc(Cl)nc(N)n1 |r,wU:9.12,wD:6.5,(6,2.8,;4.67,2.03,;3.33,2.8,;4.1,4.13,;2.56,1.46,;2,3.57,;.67,2.8,;-.67,3.57,;-2,2.8,;-2,1.26,;-.67,.49,;.67,1.26,;-3.33,.49,;-4.67,1.26,;-3.33,-1.05,;-4.67,-1.82,;-4.67,-3.36,;-6,-4.13,;-3.33,-4.13,;-2,-3.36,;-.67,-4.13,;-2,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1ccnc(N)n1 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.33,-4.13,;-2.67,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1nc(N)ncc1C |r,wU:9.12,wD:6.5,(6,2.8,;4.67,2.03,;3.33,2.8,;4.1,4.13,;2.56,1.46,;2,3.57,;.67,2.8,;-.67,3.57,;-2,2.8,;-2,1.26,;-.67,.49,;.67,1.26,;-3.33,.49,;-3.33,-1.05,;-2,-1.82,;-2,-3.36,;-.67,-4.13,;-3.33,-4.13,;-4.67,-3.36,;-4.67,-1.82,;-6,-1.05,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1nc(N)ncc1Br |r,wU:9.12,wD:6.5,(6,2.8,;4.67,2.03,;3.33,2.8,;4.1,4.13,;2.56,1.46,;2,3.57,;.67,2.8,;-.67,3.57,;-2,2.8,;-2,1.26,;-.67,.49,;.67,1.26,;-3.33,.49,;-3.33,-1.05,;-2,-1.82,;-2,-3.36,;-.67,-4.13,;-3.33,-4.13,;-4.67,-3.36,;-4.67,-1.82,;-6,-1.05,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2sccc12)C#N |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-6.67,-.28,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1ncnn2cccc12 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;-1.2,-1.35,;-2.67,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ccnc(N)n1 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-5.33,1.26,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.33,-4.13,;-2.67,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1c(cnc2sccc12)C#N |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-4,1.26,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-6.67,-.28,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-4,1.26,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-5.33,.49,;-6.67,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Oc1ncnc2sccc12 |r,wU:6.5,wD:9.12,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;,1.26,;-1.33,.49,;-2.67,1.26,;-2.67,2.8,;-1.33,3.57,;-4,.49,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;-1.2,-1.35,;-2.67,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Oc1c(cnc2sccc12)C#N |r,wU:6.5,wD:9.12,(6,2.8,;4.67,2.03,;3.33,2.8,;4.1,4.13,;2.56,1.46,;2,3.57,;.67,2.8,;.67,1.26,;-.67,.49,;-2,1.26,;-2,2.8,;-.67,3.57,;-3.33,.49,;-3.33,-1.05,;-4.67,-1.82,;-4.67,-3.36,;-3.33,-4.13,;-2,-3.36,;-.54,-3.84,;.37,-2.59,;-.54,-1.35,;-2,-1.82,;-6,-1.05,;-6,.49,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1nc(N)ncc1-c1ccccc1 |r,wU:9.12,wD:6.5,(7.34,2.8,;6,2.03,;4.67,2.8,;5.44,4.13,;3.9,1.46,;3.33,3.57,;2,2.8,;.67,3.57,;-.67,2.8,;-.67,1.26,;.67,.49,;2,1.26,;-2,.49,;-3.33,1.26,;-2,-1.05,;-.67,-1.82,;-.67,-3.36,;.67,-4.13,;-2,-4.13,;-3.33,-3.36,;-3.33,-1.82,;-4.67,-1.05,;-4.67,.49,;-6,1.26,;-7.34,.49,;-7.34,-1.05,;-6,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.75,2.78,;4.41,2.01,;3.08,2.78,;3.85,4.12,;2.31,1.45,;1.75,3.55,;.41,2.78,;-.92,3.55,;-2.26,2.78,;-2.26,1.24,;-.92,.47,;.41,1.24,;-3.59,.47,;-5.12,.63,;-5.75,-.77,;-4.6,-1.81,;-4.6,-3.35,;-3.27,-4.12,;-1.93,-3.35,;-.47,-3.82,;.43,-2.58,;-.47,-1.33,;-1.93,-1.81,;-3.27,-1.04,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1nc(N)ncc1-c1ccccc1 |r,wU:9.12,wD:6.5,(7.34,2.8,;6,2.03,;4.67,2.8,;5.44,4.13,;3.9,1.46,;3.33,3.57,;2,2.8,;.67,3.57,;-.67,2.8,;-.67,1.26,;.67,.49,;2,1.26,;-2,.49,;-2,-1.05,;-.67,-1.82,;-.67,-3.36,;.67,-4.13,;-2,-4.13,;-3.33,-3.36,;-3.33,-1.82,;-4.67,-1.05,;-4.67,.49,;-6,1.26,;-7.34,.49,;-7.34,-1.05,;-6,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1c(cnn2cccc12)C#N |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-4,1.26,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-6.67,-.28,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Oc1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:6.5,wD:9.12,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;1.33,1.26,;,.49,;-1.33,1.26,;-1.33,2.8,;,3.57,;-2.67,.49,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-5.33,.49,;-6.67,-1.82,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1c(cnc2[nH]ccc12)C#N |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-4,1.26,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-6.67,-.28,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1c(cnn2cccc12)C#N |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-6.67,-.28,)|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnn2cccc12 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-5.33,1.26,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;-1.2,-1.35,;-2.67,-1.82,)|
CC1(C)CCC(CC1)c1nnn2cnc3[nH]ccc3c12
C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1nc2ccccc2s1
Brc1nc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)sc1Br
O=S(=O)(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:7.10,wD:4.3,(1.78,.91,;2.18,2.4,;3.27,1.31,;.69,2.8,;-.4,1.71,;-1.89,2.11,;-2.97,1.02,;-2.58,-.47,;-1.09,-.87,;0,.22,;-3.67,-1.56,;-5.2,-1.4,;-5.82,-2.8,;-4.68,-3.83,;-4.68,-5.37,;-3.35,-6.14,;-2.01,-5.37,;-.55,-5.85,;.36,-4.6,;-.55,-3.36,;-2.01,-3.83,;-3.35,-3.06,;3.27,3.55,;4.77,3.19,;5.82,4.31,;5.38,5.79,;3.89,6.14,;2.83,5.03,)|
[N-]=[N+]=NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(5.09,5.39,;4,4.3,;2.91,3.15,;1.42,3.55,;.34,2.46,;-1.15,2.86,;-2.24,1.77,;-1.84,.28,;-.36,-.12,;.73,.97,;-2.93,-.81,;-4.46,-.64,;-5.09,-2.05,;-3.95,-3.08,;-3.95,-4.62,;-2.61,-5.39,;-1.28,-4.62,;.19,-5.1,;1.09,-3.85,;.19,-2.61,;-1.28,-3.08,;-2.61,-2.31,)|
O\N=C\[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4.55,4.82,;3.46,3.73,;1.97,4.13,;.88,3.04,;-.61,3.44,;-1.7,2.35,;-1.3,.86,;.19,.46,;1.28,1.55,;-2.39,-.23,;-3.92,-.07,;-4.55,-1.48,;-3.4,-2.51,;-3.4,-4.05,;-2.07,-4.82,;-.73,-4.05,;.73,-4.52,;1.64,-3.28,;.73,-2.03,;-.73,-2.51,;-2.07,-1.74,)|
C[C@@H]1CCN(Cc2cccc(F)c2F)C[C@@H]1n1ccc(=O)c2cnc3[nH]ccc3c12 |r|
C[C@@H]1CCN(C)C[C@@H]1n1ccc(=O)c2cnc3[nH]ccc3c12 |r|
CC1CCN(CC1n1ccc(=O)c2cnc3[nH]ccc3c12)C(=O)C1CCC(CC1)C(C)(C)C |(-4,3.08,;-2.67,2.31,;-1.33,3.08,;,2.31,;,.77,;-1.33,,;-2.67,.77,;-4,,;-5.33,.77,;-6.67,,;-6.67,-1.54,;-8,-2.31,;-5.33,-2.31,;-5.33,-3.85,;-4,-4.62,;-2.67,-3.85,;-1.2,-4.33,;-.3,-3.08,;-1.2,-1.83,;-2.67,-2.31,;-4,-1.54,;1.33,,;1.33,-1.54,;2.67,.77,;4,,;5.33,.77,;5.33,2.31,;4,3.08,;2.67,2.31,;6.67,3.08,;8,2.31,;6.67,4.62,;8,3.85,)|
FC(F)(F)c1ccc(CN2CCC(CC2)n2ccc(=O)c3cnc4[nH]ccc4c23)cc1
C1CCC(C1)c1nnn2cnc3[nH]ccc3c12
OC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4,3.33,;2.51,3.73,;2.11,5.21,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-.75,.46,;.73,.06,;1.82,1.15,;-1.84,-.63,;-3.37,-.47,;-4,-1.87,;-2.86,-2.9,;-2.86,-4.44,;-1.52,-5.21,;-.19,-4.44,;1.28,-4.92,;2.18,-3.67,;1.28,-2.43,;-.19,-2.9,;-1.52,-2.13,)|
O=C(OCc1ccccc1)N1CC(C1)c1nnn2cnc3[nH]ccc3c12
O=c1[nH]c(=O)c2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1 |r,wU:18.21,wD:15.17,(-4,2.69,;-4,1.15,;-5.33,.38,;-5.33,-1.15,;-6.67,-1.93,;-4,-1.93,;-4,-3.47,;-2.67,-4.23,;-1.33,-3.47,;.13,-3.94,;1.04,-2.69,;.13,-1.45,;-1.33,-1.93,;-2.67,-1.15,;-2.67,.38,;-1.33,1.15,;,.38,;1.33,1.15,;1.33,2.69,;2.67,3.47,;4,2.69,;5.33,3.47,;6.67,4.23,;,3.47,;-1.33,2.69,)|
FC(F)(F)CN(C[C@H]1CC[C@@H](CC1)n1c2c3cc[nH]c3ncc2c(=O)[nH]c1=O)C(=O)CC#N |r,wU:10.13,wD:7.6,(7.34,3.85,;6,3.08,;6,1.54,;7.34,2.31,;4.67,3.85,;3.33,3.08,;2,3.85,;.67,3.08,;-.67,3.85,;-2,3.08,;-2,1.54,;-.67,.77,;.67,1.54,;-3.33,.77,;-3.33,-.77,;-2,-1.54,;-.54,-1.06,;.37,-2.31,;-.54,-3.56,;-2,-3.08,;-3.33,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-6,.77,;-4.67,1.54,;-4.67,3.08,;3.33,1.54,;2,.77,;4.67,.77,;4.67,-.77,;4.67,-2.31,)|
CN(C[C@H]1CC[C@@H](CC1)n1c2c3cc[nH]c3ncc2c(=O)[nH]c1=O)CC(F)(F)F |r,wU:6.9,wD:3.2,(3.33,1.54,;3.33,3.08,;2,3.85,;.67,3.08,;-.67,3.85,;-2,3.08,;-2,1.54,;-.67,.77,;.67,1.54,;-3.33,.77,;-3.33,-.77,;-2,-1.54,;-.54,-1.06,;.37,-2.31,;-.54,-3.56,;-2,-3.08,;-3.33,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-6,.77,;-4.67,1.54,;-4.67,3.08,;4.67,3.85,;6,3.08,;7.34,3.85,;6,1.54,;7.34,2.31,)|
O=c1n(CC#N)c(=O)c2cnc3[nH]ccc3c2n1C1CCCCC1
Cn1c(=O)n(C2CCCCC2)c2c3cc[nH]c3ncc2c1=O
FC(F)(F)Cn1c(=O)n(C2CCCCC2)c2c3cc[nH]c3ncc2c1=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4CCC(C3)O4)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3C(=O)N(Cc3c2)C2(C)CCC(F)(F)CC2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C2CCN(CC(F)(F)F)CC2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C2CCN(C)CC2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3c(CN(C4CCOCC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@@H]3C)c(C)c2)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCO[C@H](C)C3)c(C)c2)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCO[C@@H](C)C3)c(C)c2)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@]2(CCCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C4CCC3COC4)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4(COC4)C3)c(C)c2)c2c1cc[nH]c2=O
[H][C@@]12CN(C(=O)c3ccc(Nc4nn(c5cc[nH]c(=O)c45)C4(CC)CCN(CC4)C(=O)OC(C)(C)C)cc3C)[C@@]([H])(CO1)C2 |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@@]2(CCCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2cccc(CC#N)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3[C@@H](C)COC[C@H]3C)c(C)c2)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3[C@@H](C)COC[C@@H]3C)c(C)c2)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3[C@H](C)COC[C@H]3C)c(C)c2)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCSCC3)c(C)c2)c2c1cc[nH]c2=O
[H][C@]12CN(C(=O)c3ccc(Nc4nn(c5cc[nH]c(=O)c45)C4(CC)CCN(CC4)C(=O)OC(C)(C)C)cc3C)[C@]([H])(CO1)C2 |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C2CCNCC2)c2c1cc[nH]c2=O
CCc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC)CCN(CC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCOCC1
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCSCC3)c(c2)C(F)F)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCC(F)(F)CC3)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@H]3C)c(C)c2)c2c1cc[nH]c2=O |r|
CCc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC)CCN(CC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCSCC1
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3c(CN(C4CCN(C)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCC3)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@]2(CCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@@]2(CCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@@H](NC(C)(C)C)C(F)(F)F)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@H](NC(C)(C)C)C(F)(F)F)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2C)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(=O)(=O)N2CCC[C@H]2C)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccnc(F)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C(C)(OC)C(F)(F)F)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C(C)(O)C(F)(F)F)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C(O)C(F)(F)F)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(O)=O)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(=O)C3)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(C)(C)C3)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC4(CCCC4)C3)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)c(C)c2)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3(C)C)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4CC(C3)O4)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c(C)c2)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@H]3C(C)C)c(C)c2)c2c1cc[nH]c2=O |r|
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCSCC3)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCOCC3)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCS(=O)CC3)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCC(CC3)N3CCSCC3)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(C)C3C)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3CC(C)C)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC(C)C3)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC4CC34)c(C)c2)c2c1cc[nH]c2=O
CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCOC(C)C3)c(C)c2)c2c1cc[nH]c2=O
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C(F)F)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
COC(=O)CCN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:6:9.8:12.11.13|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC3CCC(=O)O3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccc(nc3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CF)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
CCC(SC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:10.9:13.12.14|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C(C)(C)CCO)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
CCCCOC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:14.13.15:11.9.10|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCc3ccco3)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCCC#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3ccc(C)nc3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
CCCC1CCCN1S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:8:11:15.14.13:18.17.19|
Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC#N)n2)n[nH]1 |r,TLB:25:24:21.20:17.23.18|
CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(COO)ccc12 |r,TLB:2:5:8.7:11.10.12|
Cc1cc(Nc2cc3nc(CCO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)n2)n[nH]1 |r,TLB:26:25:22.21:18.24.19|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cccnc3)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CCC3)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|
Cc1cc(Nc2cc3nc(CN4CCC(F)(F)CC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)n2)n[nH]1 |r,TLB:32:31:28.27:24.30.25|
CC(C)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCC(F)(F)CC3)ccc12 |r,TLB:3:4:7.6:10.9.11|
CN1CCN(Cc2ccc3c(N[C@H]4C[C@@H]5CC[C@H](C4)N5CC(F)(F)F)nc(Nc4cc(C)[nH]n4)cc3n2)CC1 |r,TLB:20:19:16.15:12.18.13|
Cc1cc(Nc2cc3nc(CS(C)(=O)=O)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)n2)n[nH]1 |r,TLB:28:27:24.23:20.26.21|
Cc1cc(Nc2cc3nc(CS(C)(=O)=O)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC(F)(F)F)n2)n[nH]1 |r,TLB:28:27:24.23:20.26.21|
Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccncc3)n2)n[nH]1 |r,TLB:24:23:20.19:16.22.17|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccncc3)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)C)c2c1 |r,TLB:26:25:22.21:18.24.19|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OC(C)SO)c2c1 |r,TLB:27:26:23.22.21:18.25.19|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CC(F)F)c2c1 |r,TLB:28:27:24.23:20.26.21|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C(C)C(O)=S)c2c1 |r,TLB:28:27:24.23:20.26.21|
CCC(SC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(cc12)S(C)(=O)=O |r,TLB:5:7:10.9:13.12.14|
COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3(COC3)C#N)c12 |r,TLB:27:26:23.22:19.25.20|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccncc3)c3cccnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC#N)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cccnc3)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|
CN(C)CC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)c(F)c2ncccc12 |r,TLB:4:6:13.12.14:8.10.9|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC(C1)C#N |r,TLB:26:25:22.21:18.24.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)N1CC(C1)C#N |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(C)(=O)=O |r,TLB:27:26:23.22.21:18.25.19|
COCCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(CO)[nH]n2)cc(OC)n1 |r,TLB:4:7:11.10.9:14.13.15|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CC[C@H](C1)N2CCC#N |r,TLB:26:25:22.21:18.24.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2ccc(nc2)C#N)n1 |r,TLB:25:24:21.20.19:16.23.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1cncc(c1)C#N |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)OCC(C)C |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)C1C[C@@H]2CCC[C@H](C1)N2C(=O)C(F)F |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC1 |r,TLB:26:25:22.21:18.24.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)N2CC(C2)C#N)n1 |r,TLB:24:23:20.19:16.22.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2cccnc2)n1 |r,TLB:24:23:20.19:16.22.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccccc2)n1 |r,TLB:24:23:20.19:16.22.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CCC[C@H](C2)N3S(=O)(=O)N2CCC2)n1 |r,TLB:25:24:21.20.19:16.23.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CCC[C@H](C2)N3S(=O)(=O)N2CC(C2)C#N)n1 |r,TLB:25:24:21.20.19:16.23.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CCC[C@H](C2)N3S(=O)(=O)c2cncc(F)c2)n1 |r,TLB:25:24:21.20.19:16.23.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CCC[C@H](C2)N3S(=O)(=O)c2ccccc2)n1 |r,TLB:25:24:21.20.19:16.23.17|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(CO)[nH]n2)cc(OC)n1 |r,TLB:2:5:9.8.7:12.11.13|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CCC[C@H](C2)N3S(=O)(=O)CC2CC2)n1 |r,TLB:25:24:21.20.19:16.23.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)CCC#N |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)N1CCCC1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)C1CC1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1cccnc1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1ccccc1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)N1CCC1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1cncc(F)c1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)n1 |r,TLB:24:23:20.19:16.22.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2ccncc2)n1 |r,TLB:25:24:21.20.19:16.23.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2ccnc(c2)C#N)n1 |r,TLB:25:24:21.20.19:16.23.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2cccnc2)n1 |r,TLB:25:24:21.20.19:16.23.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2CCC#N |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2CC1(CC1)C#N |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccncc1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccnc(c1)C#N |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CCC[C@H](C2)N3C(=O)C(F)F)n1 |r,TLB:25:24:21.20.19:16.23.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)CC(C)C |r,TLB:27:26:23.22.21:18.25.19|
COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(CO)[nH]n2)cc(OC)n1 |r,TLB:2:4:8.7.6:11.10.12|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)N1CCOCC1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)CC1CC1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(C)=O |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)C1CCCC1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)C1CCC1 |r,TLB:27:26:23.22.21:18.25.19|
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)SC)n1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCC(C1)S(=O)(=O)N(C)C
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(NCc2c(C)cccc2N(C)S(C)=O)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(NCCc2ccc(cc2)-c2ccccc2)n1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCc2c(C1)cccc2NSC
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCC(CC1)OC
CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2cc(C)ccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCc2ccc(OC)c(OC)c2C1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CC(C1)Oc1ccccc1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCc2cc(ccc2C1)-n1cnc(C)c1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCc2cc(OCCOC)ccc2C1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CC(C)(O)C1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCc2ccc(cc2C1)S(=O)(=O)NCCN1CCCC1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCc2c(C1)cccc2C(=O)NCc1ccccc1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCc2cc(OC)c(OCc3ccccc3)cc2C1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCc2c(Cl)cccc2C1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CC(C1)Oc1cc(ccc1Cl)C#N
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCc2cc(F)ccc2C1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCc2cccc(OC)c2C1
CCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
CCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
CCCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2cc(Cl)ccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(=O)(=O)CC)n1
CCN(c1ccccc1CN(C)c1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
CCCCN(c1ccccc1CN(C)c1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(n1)N(CCN1CCOCC1)Cc1ccccc1N(C)S(C)(=O)=O
CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(CCO)S(C)(=O)=O)n1
CCN(c1ccc(C)cc1CN(C)c1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
CCN(Cc1cc(C)ccc1N(C)S(C)(=O)=O)c1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC
CCCN(Cc1cc(C)ccc1N(C)S(C)(=O)=O)c1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC
CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(n1)N(C)Cc1ccccc1N(C)S(C)(=O)=O
CN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(Cc1ccccc1N(C)S(C)(=O)=O)c1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC(F)(F)F
CN(c1ccc(C)cc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2c(F)cccc2N(C)S(C)(=O)=O)n1
CCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(=O)(=O)CC
CCc1cc(O)c(F)cc1-c1nc(NCc2ccccc2N(C)S(C)(=O)=O)c2cn[nH]c2n1
CCc1cc(O)c(F)cc1-c1nc(N(CCc2ccc(OC)c(OC)c2)Cc2ccccc2N(C)S(C)(=O)=O)c2cn[nH]c2n1
CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(n1)N(CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1N(C)S(C)(=O)=O
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCC(C)C)n1
CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2ccccc2N(C)S(=O)(=O)CC)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2cc(Cl)ccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2c(F)cccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2cc(F)ccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2cc(C)ccc2N(C)S(C)(=O)=O)n1
CCN(c1ccccc1CNc1nc(cc2[nH]nc(C(=O)NC)c12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
CCN(c1ccccc1CNc1nc(cc2[nH]nc(C(=O)NC)c12)-c1cc(F)c(O)cc1CC)S(=O)(=O)CC
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCC2CCCC2)n1
CNC(=O)c1n[nH]c2cc(nc(NCc3cc(C)ccc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3cc(F)ccc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCN(c1ccccc1CNc1nc(cc2[nH]nc(C(=O)NC)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)CC
CNC(=O)c1n[nH]c2cc(nc(NCc3cc(Cl)ccc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCc1cc(O)c(F)cc1-c1nc(NCc2ccccc2N(C)S(C)(=O)=O)c2c(n[nH]c2n1)C(=O)NC
CNC(=O)c1n[nH]c2cc(nc(NCC(C)C)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3c(F)cccc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCC3CCCC3)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCS(=O)(=O)N(C)c1ccccc1CNc1nc(cc2[nH]nc(C(=O)NC)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCN(c1ccccc1CNc1nc(cc2[nH]nc(C(=O)NC)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCCc2ccc(O)cc2)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)Nc3ccc(C)nc3)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2cc(O)ccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2ccccc2N(C)S(=O)(=O)c2ccccc2)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(-c3nnc(C)[nH]3)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(N[C@H](C)c2ccccc2N(C)S(C)(=O)=O)n1 |r|
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(N[C@@H](C)c2ccccc2N(C)S(C)(=O)=O)n1 |r|
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(-n3cccn3)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(-c3ncc[nH]3)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
CNC(=O)c1n[nH]c2nc(nc(NCc3ccccc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(-c3nc(C)c(C)[nH]3)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(-c3nc(C)c[nH]3)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
CN(c1ccccc1CNc1nc(cc2[nH]nc(-n3cccn3)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccccc1CNc1nc(cc2[nH]nc(C(=O)Nc3ccc(C)nc3)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccccc1CNc1nc(cc2[nH]nc(-c3nnc(C)[nH]3)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccc(O)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccccc1CNc1nc(cc2[nH]nc(-c3nnc([nH]3)-c3ccc(C)nc3)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccc(O)cc1CNc1nc(cc2[nH]nc(C(=O)Nc3ccc(NCCO)nc3)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccc(O)cc1CNc1nc(nc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccc(O)cc1CNc1nc(nc2[nH]nc(C(=O)Nc3ccc(NCCO)nc3)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CNC(=O)c1n[nH]c2nc(nc(NCc3ccccc3N(C)S(N)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2ccccc2N(C)S(N)(=O)=O)n1
CN(c1ccc(O)cc1CNc1nc(nc2[nH]nc(-c3nnc([nH]3)C3CCN(CC3)C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CNC(=O)c1n[nH]c2nc(nc(NCc3ccccc3N(C)S(=O)(=O)NC)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CN(c1ccccc1CNc1nc(nc2[nH]nc(-c3nnc([nH]3)C3CCN(CC3)C(=O)CN3CCCC3)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccc(O)cc1CNc1nc(nc2[nH]nc(-c3nc4CNCCc4[nH]3)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccc(O)cc1CNc1nc(nc2[nH]nc(-c3nc4CN(CCc4[nH]3)C(C)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(C)CCNC(=O)N1CCc2[nH]c(nc2C1)-c1n[nH]c2nc(nc(NCc3cc(O)ccc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3N(C)S(=O)(=O)N3CCOC3)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3cc(O)ccc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2nc(nc(NCc3nccnc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3nccnc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(N)=O)c2c(NCc2ccccc2N(C)S(=O)(=O)c2ccccc2)n1
CC(CO)CNc1nc(nc2[nH]nc(-c3nc4CN(Cc5ccccc5)CCc4[nH]3)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CN(c1ccccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1ccccc1
CSCCNc1nc(cc2[nH]nc(-c3nc4CN(Cc5ccccc5)CCc4[nH]3)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCc1cc(O)c(F)cc1-c1nc(NCc2ccccc2N(C)S(=O)(=O)c2ccccc2)c2c(n[nH]c2n1)C(N)=O
CN(c1ccccc1CNc1nc(nc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1ccccc1
CNC(=O)c1n[nH]c2nc(nc(NCc3ccccc3N(CCO)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
Oc1cc(CC(F)(F)F)c(cc1F)-c1nc(NCCC2CC2)c2cn[nH]c2n1
Oc1cc(CC(F)(F)F)c(cc1F)-c1nc(NCC2CC2)c2cn[nH]c2n1
CCCCNc1nc(nc2[nH]ncc12)-c1cc(F)c(O)cc1CC(F)(F)F
CC(C)CNc1nc(nc2[nH]ncc12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3N(CCO)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CS(=O)(=O)N(CCO)c1ccccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CS(=O)(=O)N(CCO)c1ccccc1CNc1nc(nc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2ccc(O)cc2N(C)S(C)(=O)=O)n1
CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(N)=O)c2c(NCc2ccc(O)cc2N(C)S(C)(=O)=O)n1
CN(c1cc(O)ccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CNC(=O)c1n[nH]c2cc(nc(NCc3ccc(O)cc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCN(c1ccccc1CNc1nc(nc2[nH]nc(C(=O)NC)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3N(C)S(=O)(=O)c3cccc(O)c3)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCN(c1ccccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCN(c1ccc(O)cc1CNc1nc(cc2[nH]nc(C(=O)NC)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CNC(=O)c1n[nH]c2nc(nc(NCc3cc(O)ccc3N(C)S(=O)(=O)c3ccccc3)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3cnccc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCN(c1ccc(O)cc1CNc1nc(nc2[nH]nc(C(=O)NC)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1ccccc1
CNC(=O)c1n[nH]c2cc(nc(NCc3cc(O)ccc3N(C)S(=O)(=O)c3ccccc3)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CN(c1ccc(O)cc1CNc1nc(nc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1ccccc1
CCN(c1ccc(O)cc1CNc1nc(nc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1ccccc1
CCN(c1ccc(O)cc1CNc1nc(cc2[nH]nc(C(=O)NC)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1ccccc1
CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3N(C)S(=O)(=O)c3cccnc3)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CN(c1ccc(O)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1ccccc1
CCN(c1ccc(O)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1ccccc1
CCN(c1nccnc1CNc1nc(cc2[nH]nc(C(=O)NC)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3N(C)S(=O)(=O)N(C)C)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CCNC(=O)c1n[nH]c2cc(nc(NCc3nccnc3N(CC)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3nccnc3N(C)S(=O)(=O)c3ccccc3)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3N(C)S(=O)(=O)c3cn[nH]c3)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3N(C)S(=O)(=O)c3cn(C)cn3)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3cccnc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CN(c1ccc(F)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCN(c1ncccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ncccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCN(c1ncccc1CNc1nc(cc2[nH]nc(C(=O)NC)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CNC(=O)c1n[nH]c2nc(nc(NCc3cc(F)ccc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3cc(O)ccc3N(C)S(=O)(=O)c3cccnc3)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3CS(N)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3ncccc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1C1CC1
CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3N(C)S(=O)(=O)CCOC)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CN(c1ccccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1C1CC1)S(C)(=O)=O
CN(c1ccccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1ccc(nc1)N1CCOCC1
CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3N(C)S(=O)(=O)c3ccc(C)nc3)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CN(c1ccccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1cccnc1
CN(c1ccccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1ccc(C)nc1
CN(c1ccc(Cl)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CNC(=O)c1n[nH]c2cc(nc(NCc3cc(C)cnc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CN(c1ccccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)CCCN1CCOCC1
CN(c1ncc(C)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CNC(=O)c1n[nH]c2cc(nc(NCc3cccnc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1C1CC1
CCN(c1ncc(C)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCN(c1ccc(Cl)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCN(c1ccc(F)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCN(c1ccc(C)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCN(c1ncc(Cl)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ncc(Cl)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCc1cc(O)cc(C)c1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
CCS(=O)(=O)N(C)c1ccccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CN(c1ncc(F)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCN(c1ncc(F)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCN(c1nccnc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCN(c1ccccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)CC
CN(c1ccc(C)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2cc(cn2)-c2ncnc3[nH]ccc23)CC1)C#N
CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r|
CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r|
CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r|
CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1
CCc1cc(O)ccc1-c1cc(N)c(C=N)c(NCc2ccccc2N(C)SC)n1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(NCc2c(C)cccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)ccc1-c1cc(N)c(C=N)c(NCCc2ccc(cc2)-c2ccccc2)n1
CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCc2c(C1)cccc2NS(C)(=O)=O
CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2cc(C)ccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)ccc1-c1cc(N)c(C=N)c(n1)N1CC(C1)Oc1ccccc1
CCc1cc(O)ccc1-c1cc(N)c(C=N)c(n1)N1CC(C)(O)C1
CCN(c1ccccc1CNc1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
CCCCN(c1ccccc1CNc1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
CCN(c1ccccc1CN(C)c1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2ccccc2N(CCO)S(C)(=O)=O)n1
CN(c1ccccc1CNc1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2c(F)cccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2ccccc2N(C)S(C)(=O)=O)n1
CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(n1)N(CCc1ccc(OC)c(OC)c1)Cc1ccccc1N(C)S(C)(=O)=O
CCN(c1ccccc1CNc1nc(cc(N)c1C(=N)C(=O)NC)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
CNC(=O)C(=N)c1c(N)cc(nc1NCc1cc(C)ccc1N(C)S(C)(=O)=O)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)C(=N)c1c(N)cc(nc1NCc1c(F)cccc1N(C)S(C)(=O)=O)-c1cc(F)c(O)cc1CC(F)(F)F
CCc1cc(O)c(F)cc1-c1cc(N)c(C(=N)C(=O)NC)c(NCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)n1
CN(c1ccccc1CNc1nc(cc2[nH]nc(C(=N)NC(C)=N)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccccc1CNc1nc(nc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccc(O)cc1CNc1nc(nc(N)c1C(=N)C(N)=O)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccc(O)cc1CNc1nc(nc(N)c1C(=N)C(=N)NC(=N)C1CCN(CC1)C(N)=O)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccccc1CNc1nc(nc2[nH]nc(C(=N)NC(=N)C3CCN(CC3)C(=O)CN3CCCC3)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CN(c1ccc(O)cc1CNc1nc(nc(N)c1C(=N)c1nc2CNCCc2[nH]1)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3N(C)S(=O)(=O)NCCO)c12)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)C(=N)c1c(N)cc(nc1NCc1cc(O)ccc1N(C)S(C)(=O)=O)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)C(=N)c1c(N)cc(nc1NCc1nccnc1N(C)S(C)(=O)=O)-c1cc(F)c(O)cc1CC(F)(F)F
CCc1cc(O)c(F)cc1-c1cc(N)c(C(=N)C(N)=O)c(NCc2ccccc2N(C)S(=O)(=O)c2ccccc2)n1
CCc1cc(O)c(F)cc1-c1nc(N)c(C(=N)C(N)=O)c(NCc2ccccc2N(C)S(=O)(=O)c2ccccc2)n1
CN(c1ccccc1CNc1nc(nc(N)c1C(=N)C(N)=O)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1ccccc1
Nc1nc(nc(NCCC2CC2)c1C=N)-c1cc(F)c(O)cc1CC(F)(F)F
CCCCNc1nc(nc(N)c1C=N)-c1cc(F)c(O)cc1CC(F)(F)F
CC(C)CNc1nc(nc(N)c1C=N)-c1cc(F)c(O)cc1CC(F)(F)F
CS(=O)(=O)N(CCO)c1ccccc1CNc1nc(cc(N)c1C(=N)C(N)=O)-c1cc(F)c(O)cc1CC(F)(F)F
CN(c1ccc(O)cc1CNc1nc(cc(N)c1C(=N)C(N)=O)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1ccccc1
CNC(=O)C(=N)c1c(N)cc(nc1NCc1nccnc1N(C)S(=O)(=O)c1ccccc1)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)C(=N)c1c(N)cc(nc1NCc1cccnc1N(C)S(C)(=O)=O)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)C(=N)c1c(N)cc(nc1NCc1cc(O)ccc1N(C)S(=O)(=O)c1cccnc1)-c1cc(F)c(O)cc1CC(F)(F)F
CNC(=O)C(=N)c1c(N)cc(nc1NCc1ccccc1N(C)S(C)(=O)=O)-c1cc(F)c(O)cc1C1CC1
CN(c1ccccc1CNc1nc(cc(N)c1C(=N)C(N)=O)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)c1cccnc1
CN(c1ccc(Cl)cc1CNc1nc(cc(N)c1C(=N)C(N)=O)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCN(c1ncc(C)cc1CNc1nc(cc(N)c1C(=N)C(N)=O)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCN(c1ccc(C)cc1CNc1nc(cc(N)c1C(=N)C(N)=O)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCN(c1ccccc1CNc1nc(cc(N)c1C(=N)C(N)=O)-c1cc(F)c(O)cc1CC(F)(F)F)S(=O)(=O)CC
CN(c1ccc(C)cc1CNc1nc(cc(N)c1C(=N)C(N)=O)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C)C1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CNC1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C(C)C
CCC(C)N1CC(C1)N1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C1CC1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)CC1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN(C)C)CCc2[nH]1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-11.45,-2.63,;-10.11,-1.86,;-10.11,-.32,;-11.45,.45,;-11.45,1.99,;-12.78,2.76,;-10.11,2.76,;-10.11,4.3,;-8.78,1.99,;-8.78,.45,;-7.44,-.32,;-6.11,.45,;-4.78,-.32,;-4.78,-1.86,;-3.63,-2.89,;-4.26,-4.3,;-5.79,-4.14,;-6.11,-2.63,;-7.44,-1.86,;-2.15,-2.49,;-1.24,-1.25,;.22,-1.72,;1.56,-.95,;2.89,-1.72,;4.23,-.95,;5.56,-1.72,;6.89,-.95,;8.23,-1.72,;8.62,-3.21,;10.11,-2.81,;9.71,-1.32,;11.45,-3.58,;12.78,-2.81,;2.89,-3.26,;1.56,-4.03,;.22,-3.26,;-1.24,-3.74,)|
CCN(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
CCC(C)N(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@H]3COCCN3)CCc2[nH]1 |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3COCCN3)CCc2[nH]1 |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCC[C@@H]3C)CCc2[nH]1 |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCO)C1C
CCN1CC(C1C)N1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCOC)C1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCC#N)C1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNCC1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-9.45,-2.63,;-8.11,-1.86,;-8.11,-.32,;-9.45,.45,;-9.45,1.99,;-10.78,2.76,;-8.11,2.76,;-8.11,4.3,;-6.78,1.99,;-6.78,.45,;-5.44,-.32,;-4.11,.45,;-2.78,-.32,;-2.78,-1.86,;-1.63,-2.89,;-2.26,-4.3,;-3.79,-4.14,;-4.11,-2.63,;-5.44,-1.86,;-.15,-2.49,;.76,-1.25,;2.22,-1.72,;3.56,-.95,;4.89,-1.72,;6.23,-.95,;7.56,-1.72,;8.89,-.95,;8.89,.59,;8.12,1.92,;9.03,3.17,;9.8,1.83,;9.11,4.7,;7.82,5.54,;4.89,-3.26,;3.56,-4.03,;2.22,-3.26,;.76,-3.74,)|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3)CCc2[nH]1 |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@H]3CCCN3)CCc2[nH]1 |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNC1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)C1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC3CNC3)CCc2[nH]1
CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cn1
CN1CCN(CC1)c2ccc(cc2F)Nc3nc4c(cc[nH]4)c(n3)Oc5cccc(c5)NC(=O)C=C
CNS(=O)(=O)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(C#N)c(F)c1 |r|
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncc(Br)cn1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(=O)Nc1cccs1 |r|
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)N[C@H]1[C@H](O)Cc2ccccc12 |r|
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(N)(=O)=O |r|
OCc1cc(no1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:21.24,26.32,(5.66,-5.95,;4.57,-4.86,;3.08,-5.26,;2.18,-4.01,;.71,-4.49,;.71,-6.03,;2.18,-6.5,;-.62,-3.72,;-1.96,-4.49,;-3.29,-3.72,;-4.75,-4.19,;-5.66,-2.95,;-4.75,-1.7,;-3.29,-2.18,;-1.96,-1.41,;-.62,-2.18,;-1.96,.13,;-3.2,1.04,;-2.73,2.5,;-1.19,2.5,;-.71,1.04,;-.42,3.84,;-1.96,3.84,;-2.73,5.17,;-3.5,6.5,;-.02,5.32,;1.47,4.93,;1.07,3.44,;2.8,5.7,;4.14,6.47,)|
OCc1cc(n[nH]1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC2CC2)C1
CCN1CC(CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(CO)[nH]n1
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1
CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(NC(C)=O)[nH]n1 |r,wU:2.1,wD:4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;12.76,-1.13,;13.66,-2.37,;15.19,-2.21,;13.04,-3.78,;10.46,-2.62,;8.95,-2.3,)|
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC#N)C1
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(C1)S(C)(=O)=O
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(C1)S(=O)(=O)C1CC1
CCC(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@H](CC#N)C1 |r,wD:20.23,25.29,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;3.62,13.21,;2.19,13.76,;.75,14.31,;5.11,10.78,)|
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@H](CC#N)C1 |r,wU:20.23,wD:25.29,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;3.62,13.21,;2.19,13.76,;.75,14.31,;5.11,10.78,)|
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@H](O)C1 |r,wD:20.23,25.29,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;6.86,9.26,;8.27,9.89,;2.96,10.44,;3.86,11.69,;3.62,13.21,;5.11,10.78,)|
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@H](O)C1 |r,wU:20.23,wD:25.29,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;6.86,9.26,;8.27,9.89,;2.96,10.44,;3.86,11.69,;3.62,13.21,;5.11,10.78,)|
CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1 |r,wU:2.1,wD:4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,)|
CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1 |r,wU:2.1,4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,)|
C[C@H]1N(CC(F)(F)F)C[C@]1(CC#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)c1ccn[nH]1 |r,wU:20.23,wD:25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;2.25,13.91,;2.49,15.43,;4.01,15.67,;4.71,14.3,)|
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)|
Cc1nn(cc1-c1nc(cn2nccc12)-c1cnn(C)c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(3.41,4.28,;4.87,4.76,;5.35,6.22,;6.89,6.22,;7.37,4.76,;6.12,3.85,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;7.46,9.62,;8.7,8.71,;7.21,11.14,;6.97,12.66,)|
Cn1cc(c(CO)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:22.25,wD:27.33,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;8.39,3.91,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)n(C)n1 |r,wU:2.1,wD:4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;12.76,-1.13,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,)|
Cc1cnn2cc(nc(-c3cnn(c3)[C@@]3(CC#N)C[C@@H](C3)C#N)c12)-c1cnn(C)c1 |r,wU:14.14,wD:19.22,(-3.81,-.37,;-3.04,-1.7,;-3.95,-2.95,;-3.04,-4.19,;-1.58,-3.72,;-.24,-4.49,;1.09,-3.72,;1.09,-2.18,;-.24,-1.41,;-.24,.13,;1,1.04,;.53,2.5,;-1.01,2.5,;-1.49,1.04,;-1.78,3.84,;-.24,3.84,;.53,5.17,;1.3,6.5,;-3.27,3.44,;-3.67,4.93,;-2.18,5.32,;-5,5.7,;-6.34,6.47,;-1.58,-2.18,;2.43,-4.49,;2.43,-6.03,;3.89,-6.5,;4.8,-5.26,;6.34,-5.26,;3.89,-4.01,)|
Cc1cc(n[nH]1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.18,-4.05,;3.85,-4.82,;2.6,-3.92,;1.35,-4.82,;1.83,-6.29,;3.37,-6.29,;-.15,-4.5,;-1.18,-5.65,;-2.69,-5.33,;-3.93,-6.23,;-5.18,-5.33,;-4.7,-3.86,;-3.16,-3.86,;-2.13,-2.72,;-.63,-3.04,;-2.61,-1.25,;-4.07,-.78,;-4.07,.76,;-2.61,1.24,;-1.7,-.01,;-1.84,2.57,;-3.38,2.57,;-4.15,3.9,;-4.92,5.24,;-1.84,4.11,;-.3,4.11,;-.3,2.57,;.79,5.2,;1.88,6.29,)|
CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(CO)[nH]n1 |r,wD:4.9,2.1,(.31,7.04,;.71,5.55,;-.38,4.46,;-1.92,4.46,;-1.92,2.92,;-3.63,3.15,;-4.4,4.49,;-5.17,5.82,;-.38,2.92,;-2.86,1.82,;-1.95,.57,;-2.86,-.67,;-4.32,-.2,;-4.32,1.34,;-2.38,-2.14,;-.88,-2.46,;-.4,-3.92,;-1.43,-5.07,;-2.94,-4.75,;-4.18,-5.65,;-5.43,-4.75,;-4.95,-3.28,;-3.41,-3.28,;1.1,-4.24,;1.58,-5.71,;3.12,-5.71,;3.89,-7.04,;5.43,-7.04,;3.6,-4.24,;2.35,-3.34,)|
CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(CO)[nH]n1 |r,wU:2.1,wD:4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;12.76,-1.13,;13.38,.28,;10.46,-2.62,;8.95,-2.3,)|
NC(=O)c1cc(on1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:22.25,wD:27.33,(9.02,-2.12,;7.49,-1.96,;6.59,-3.2,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(n[nH]1)C(N)=O |r,wU:4.9,2.1,(-6.88,4.85,;-5.55,5.62,;-4.21,4.85,;-2.72,5.25,;-2.33,3.76,;-.79,3.76,;-.02,5.09,;.75,6.42,;-3.81,3.36,;-1.24,2.67,;-1.71,1.2,;-.47,.3,;.78,1.2,;.3,2.67,;-.47,-1.24,;.87,-2.01,;.87,-3.55,;-.47,-4.32,;-1.8,-3.55,;-3.27,-4.03,;-4.17,-2.78,;-3.27,-1.54,;-1.8,-2.01,;2.2,-4.32,;3.66,-3.85,;4.57,-5.09,;3.66,-6.34,;2.2,-5.86,;6.11,-5.09,;6.88,-6.42,;6.88,-3.76,)|
Cn1cc(nn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(3.55,-7.25,;2.78,-5.91,;1.31,-5.44,;1.31,-3.9,;2.78,-3.42,;3.68,-4.67,;-.02,-3.13,;-1.35,-3.9,;-2.69,-3.13,;-4.15,-3.6,;-5.06,-2.36,;-4.15,-1.11,;-2.69,-1.59,;-1.35,-.82,;-.02,-1.59,;-1.35,.72,;-2.6,1.63,;-2.12,3.09,;-.58,3.09,;-.11,1.63,;.5,4.18,;-.98,4.58,;-1.75,5.91,;-2.52,7.25,;.9,5.67,;2.39,5.27,;1.99,3.78,;3.72,6.04,;5.06,6.81,)|
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@](C)(C1)C#N |r,wU:20.23,25.32,wD:25.29,(6.7,-5.14,;5.16,-5.14,;4.26,-3.89,;2.79,-4.37,;2.79,-5.91,;4.26,-6.38,;1.46,-3.6,;.12,-4.37,;-1.21,-3.6,;-2.67,-4.07,;-3.58,-2.83,;-2.67,-1.58,;-1.21,-2.06,;.12,-1.29,;1.46,-2.06,;.12,.25,;1.37,1.16,;.89,2.62,;-.65,2.62,;-1.12,1.16,;-1.74,3.71,;-.2,3.71,;.57,5.05,;1.34,6.38,;-3.22,3.32,;-3.62,4.8,;-4.39,6.14,;-2.13,5.2,;-5.16,4.8,;-6.7,4.8,)|
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@](C)(C1)C#N |r,wU:20.23,25.29,wD:25.32,(6.7,-5.14,;5.16,-5.14,;4.26,-3.89,;2.79,-4.37,;2.79,-5.91,;4.26,-6.38,;1.46,-3.6,;.12,-4.37,;-1.21,-3.6,;-2.67,-4.07,;-3.58,-2.83,;-2.67,-1.58,;-1.21,-2.06,;.12,-1.29,;1.46,-2.06,;.12,.25,;1.37,1.16,;.89,2.62,;-.65,2.62,;-1.12,1.16,;-1.74,3.71,;-.2,3.71,;.57,5.05,;1.34,6.38,;-2.13,5.2,;-3.62,4.8,;-4.71,5.89,;-3.22,3.32,;-5.16,4.8,;-6.7,4.8,)|
Cc1cc2c(nc(cn2n1)-c1cnn(C)c1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(-5.91,-2.95,;-4.37,-2.95,;-3.47,-1.7,;-2,-2.18,;-.67,-1.41,;.67,-2.18,;.67,-3.72,;-.67,-4.49,;-2,-3.72,;-3.47,-4.19,;2,-4.49,;2,-6.03,;3.47,-6.5,;4.37,-5.26,;5.91,-5.26,;3.47,-4.01,;-.67,.13,;-1.91,1.04,;-1.44,2.5,;.1,2.5,;.58,1.04,;.87,3.84,;-.67,3.84,;-1.44,5.17,;-2.21,6.5,;1.27,5.32,;2.76,4.93,;2.36,3.44,;4.09,5.7,;5.43,6.47,)|
Cn1cc(-c2cn3nccc3c(n2)-c2cnn(c2)[C@@]2(CC#N)C[C@@H](C2)C#N)c(=O)[nH]1 |r,wU:18.20,wD:23.28,(4.47,-8.11,;3.7,-6.78,;2.23,-6.3,;2.23,-4.76,;.9,-3.99,;-.43,-4.76,;-1.77,-3.99,;-3.23,-4.47,;-4.14,-3.22,;-3.23,-1.98,;-1.77,-2.45,;-.43,-1.68,;.9,-2.45,;-.43,-.14,;.81,.76,;.34,2.23,;-1.2,2.23,;-1.68,.76,;-1.97,3.56,;-.43,3.56,;.34,4.89,;1.11,6.23,;-3.46,3.96,;-3.06,5.45,;-1.58,5.05,;-3.83,6.78,;-4.6,8.11,;3.7,-4.29,;4.47,-2.95,;4.6,-5.53,)|
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2C[C@@H]3CN(CC4CCOCC4)C[C@@H]3C2)cc1NC(=O)c1cnn2cccnc12 |r|
CC(=O)NCCCN1CCC(CC1)N\C=C(\NC(=O)C(\C(N)=N)=C1\NC=CC=N1)C(=N)c1cc(Cl)ccc1OC(F)F |c:26,28|
CN1CCC2(CC1)CN(CCO2)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCOCC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(CC[N+]#[C-])CC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCC(C2)[N+]#[C-])cc1NC(=O)c1cnn2cccnc12
CC(CN(C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)[N+]#[C-]
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCC[C@@H](C2)[N+]#[C-])cc1NC(=O)c1cnn2cccnc12 |r|
CC(CNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)[N+]#[C-]
CN(C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)C1(CC1)[N+]#[C-]
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)NC2(CC2)[N+]#[C-])cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CC(C2)[N+]#[C-])cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)NCCC[N+]#[C-])cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCC(CC2)[N+]#[C-])cc1NC(=O)c1cnn2cccnc12
CN(CC(C)(C)[N+]#[C-])C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CC(C)(CNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)[N+]#[C-]
CN(CC1(CC1)[N+]#[C-])C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)NCC2(CC2)[N+]#[C-])cc1NC(=O)c1cnn2cccnc12
CC(C)NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
C[C@H](NC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)C1CC1 |r|
CC(C)NC(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1
C[C@@H](NC(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1)C1CC1 |r|
C[C@H](NC(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1)C1CC1 |r|
CC(C)NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CN(C1CC1)C(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1
CC(C)NC(=O)c1cc(Cl)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CC(C)NC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
C[C@H](NC(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1)C(F)(F)F |r|
C[C@H](NC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CC1 |r|
FC1(F)CC(C1)NC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CC(C)NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CC(C)NC(=O)c1ccc(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
C[C@H](NC(=O)c1ccc(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CCCCC1 |r|
C[C@@H](NC(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1)C(F)(F)F |r|
FC(F)(F)C1(CC1)NC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
C[C@H](NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|
CC(NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CCN(C)CC1
C[C@@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CC1 |r|
C[C@H](NC(=O)c1ccc(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|
C[C@@H](NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|
CCNC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CC[C@@H](C)NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
CC(NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F
CC(C)NC(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ccnc3[nH]ccc23)c(F)c1
C[C@@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|
C[C@@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|
C[C@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|
FC(F)(F)[C@@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CC1 |r|
FC(F)(F)C1(CC1)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
C[C@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)C(F)(F)F |r|
FC(F)(F)CNC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
FC(F)CNC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
FC(F)(F)[C@@H](NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CC1 |r|
C[C@@H](NC(=O)c1ccc(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CC1 |r|
FC(F)(F)C1(CC1)NC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
C[C@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)C1CC1 |r|
FC(F)(F)[C@@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)C1CC1 |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)C1=NC2CN(CCC2N1)C1CN(C1)C(C)C |t:22|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccccc2)cn1 |r|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CSC2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)CCC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)CCC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)[C@H]2C[C@@H](C2)C(F)(F)F)cn1 |r,wU:33.37,wD:35.42,(-11.02,-.17,;-9.61,.46,;-9.45,1.99,;-8.04,2.62,;-6.8,1.71,;-6.96,.18,;-8.36,-.45,;-5.39,2.34,;-5.23,3.87,;-4.14,1.43,;-2.74,2.06,;-2.42,3.57,;-.88,3.73,;-.11,5.06,;1.43,5.06,;2.33,3.82,;3.8,4.29,;5.13,3.52,;6.46,4.29,;6.46,5.83,;5.13,6.6,;3.8,5.83,;2.33,6.31,;5.13,1.98,;3.8,1.21,;3.8,-.33,;4.4,.52,;5.86,.52,;6.46,-.33,;6.46,1.21,;5.13,-1.1,;5.13,-2.64,;3.8,-3.41,;6.46,-3.41,;7.95,-3.01,;8.35,-4.5,;6.86,-4.9,;9.68,-5.27,;11.02,-6.04,;10.45,-3.93,;8.91,-6.6,;-.26,2.32,;-1.4,1.29,)|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)C2=CC3CCC(C2)N3C(=O)OCC(F)(F)F)cn1 |t:26|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)CC2CC(F)(F)C2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)CC2CSCCS2)cn1
FC(F)(F)CCC(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CCOCC4)c3)nc12
CN(C1COC1)C1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)CCC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)CC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)C2=CC3CCC(C2)N3C(=O)CCC(F)(F)F)cn1 |t:26|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC2C(F)(F)F)cn1
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CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)CC2CC2(F)F)cn1
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CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccc(CC#N)cc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)C2=CC3CCC(C2)N3C(=O)[C@H]2C[C@H](C2)C(F)(F)F)cn1 |r,wU:33.37,35.42,t:26,(-11.11,.7,;-9.65,1.18,;-9.33,2.69,;-7.86,3.16,;-6.72,2.13,;-7.04,.62,;-8.5,.15,;-5.25,2.61,;-4.93,4.11,;-4.11,1.58,;-2.64,2.05,;-2.32,3.56,;-.79,3.72,;-.02,5.05,;1.52,5.05,;2.43,3.81,;3.89,4.29,;5.22,3.52,;6.56,4.29,;6.55,5.83,;5.22,6.6,;3.89,5.83,;2.42,6.3,;5.22,1.98,;6.56,1.21,;6.56,-.33,;5.95,.52,;4.5,.52,;3.89,-.33,;3.89,1.21,;5.22,-1.1,;5.22,-2.64,;3.89,-3.41,;6.56,-3.41,;8.05,-3.01,;8.44,-4.5,;6.96,-4.9,;9.78,-5.27,;11.11,-6.04,;9.01,-6.6,;10.55,-3.93,;-.17,2.31,;-1.31,1.28,)|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3CC2(CC2)C#N)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3Cc2ccc(Cl)cc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2(CC2)C#N)cn1
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CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC2CN3C(=O)CCC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CC(C2)N3C(=O)CCC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C3CCC2CN(C3)C(=O)CCC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)cn1 |r|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C2CN(C2)C(=O)CC#N)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)C2=CC3CCC(C2)N3Cc2ccc(Cl)cc2)cn1 |t:26|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C2CCN(CC2)C(=O)CC#N)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3CC2CC2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CC(C2)N3Cc2ccc(Cl)cc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(F)(F)F)cn1 |r,THB:31:30:23.24.29:26.27|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@H]3C[C@@H]2CN3C(=O)CCC(F)(F)F)cn1 |r|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC2(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2(CC2)C(F)(F)F)cn1
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FC(F)(F)CCC(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCC(CN5CCOCC5)CC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)Cc2ccncc2)cn1
FC(F)(F)C1CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCC(CC4)N4CCOCC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)COCC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(F)(F)C2)cn1
CC(CC(F)(F)F)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C3CC2CN(C3)C(=O)CCC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2C3CC(F)(F)CC23)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CCSC2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CCC(F)(F)CC2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CCSCC2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC3CCC2O3)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)COC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3Cc2cccc(c2)C#N)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3Cc2ccc(cc2)C#N)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC3C(C2)C3(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CCC(F)(F)C2)cn1
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CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)CCC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccccc2)cn1
CN(C1COC1)C1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3Cc2ccccc2C#N)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)Cc2ccccc2F)cn1
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CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)Cc2ccc(F)cc2)cn1
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CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccccc2CC#N)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2cccc(CC#N)c2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccccc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C(C)(C)CC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3CC2(CC#N)CC2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3CCCC(F)(F)F)cn1
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CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2cccs2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)CC(C)(C)C(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2cncs2)cn1
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CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3CCc2ccccc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3Cc2ccccc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccns2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cccc(Cl)c2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccc(Cl)cc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2cccc(Cl)c2)cn1
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CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C#N)cn1 |(-11.11,.42,;-9.65,.9,;-9.33,2.4,;-7.86,2.88,;-6.72,1.85,;-7.04,.34,;-8.5,-.13,;-5.25,2.32,;-4.93,3.83,;-4.11,1.29,;-2.64,1.77,;-2.32,3.28,;-.79,3.44,;-.02,4.77,;1.52,4.77,;2.43,3.53,;3.89,4.01,;5.22,3.24,;6.56,4.01,;6.55,5.55,;5.22,6.32,;3.89,5.55,;2.42,6.02,;5.22,1.7,;3.89,.93,;3.89,-.61,;4.5,.24,;5.95,.24,;6.56,-.61,;6.56,.93,;5.22,-1.38,;5.22,-2.92,;3.89,-3.69,;6.56,-3.69,;6.96,-5.18,;8.44,-4.78,;8.05,-3.29,;9.78,-5.55,;11.11,-6.32,;-.17,2.03,;-1.31,1,)|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(Cl)cc2)cn1
FC(F)(F)C1CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2cnn(C)c2)cn1 |r|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)C2CSC2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)CC2CC(F)(F)C2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3CC(F)(F)F)cn1
CSc1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
CSc1cccc(c1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3Cc2cnc(CC(F)(F)F)s2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)CC(N)C(F)(F)F)cn1
CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)CCC(F)(F)F)cn1
CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)CCC(F)(F)F)cn1
CSc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)Cc2ccccc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3CC2(CS(C)(=O)=O)CC2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)NCC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccccc2Cl)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cccs2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3c2ccc(Cl)cc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccccc2Cl)cn1
CSc1ccccc1C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2(CCC2)C#N)cn1
CCc1cnn(c1)[C@]1(CC#N)[C@H]2CC[C@@H]1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12 |r|
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-n1cc(-[#7]-c2nc3c(cccn3n2)-[#7]-2-[#6]-[#6]3-[#6]-[#6]-[#6](-[#6]-2)\[#6]-3=[#6]\C#N)cn1
FC(F)(F)C1CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCC(CC4)NCC4(CC4)C#N)c3)nc12
CC(F)(F)CNC1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
FC(F)(F)C1CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCC(CN5CCOCC5)CC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-1.48,-1.11,;-2.91,-.52,;-4.13,-1.47,;-3.92,-2.99,;-5.55,-.88,;-5.76,.64,;-7.18,1.23,;-8.4,.28,;-9.83,.87,;-8.19,-1.24,;-6.77,-1.83,;-3.07,1.01,;-1.92,2.04,;-2.55,3.45,;-1.78,4.78,;-.24,4.78,;.67,3.53,;2.13,4.01,;3.47,3.25,;4.8,4.02,;4.79,5.56,;3.46,6.33,;2.13,5.55,;.66,6.03,;3.47,1.71,;2.13,.94,;2.13,-.6,;2.9,.73,;4.03,.73,;4.8,-.6,;4.8,.94,;3.47,-1.37,;3.47,-2.91,;2.13,-3.68,;4.8,-3.68,;5.5,-5.05,;6.87,-4.35,;6.17,-2.98,;8.34,-4.82,;9.48,-3.79,;8.66,-6.33,;9.83,-5.22,;-4.08,3.28,;-4.4,1.78,)|
CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-1.55,-1.23,;-2.96,-.61,;-4.19,-1.55,;-4,-3.07,;-5.61,-.95,;-5.81,.58,;-7.23,1.17,;-8.45,.24,;-9.87,.83,;-8.26,-1.29,;-6.84,-1.88,;-3.12,.92,;-1.96,1.94,;-2.58,3.35,;-1.8,4.68,;-.26,4.68,;.64,3.44,;2.11,3.92,;3.44,3.15,;4.78,3.92,;4.77,5.46,;3.44,6.23,;2.11,5.46,;.64,5.93,;3.45,1.61,;2.12,.84,;2.12,-.7,;2.89,.63,;4.02,.63,;4.79,-.7,;4.78,.84,;3.45,-1.47,;3.46,-3.01,;2.13,-3.79,;4.79,-3.78,;5.56,-5.11,;6.9,-4.34,;6.13,-3.01,;8.38,-4.74,;9.47,-3.65,;8.78,-6.23,;9.87,-5.14,;-4.11,3.2,;-4.44,1.7,)|
CN(CCC(F)(F)F)[C@@H]1[C@H]2CC[C@@H]1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12 |r|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccc(cc2)C#N)cn1 |r|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2cccc(c2)C#N)cn1 |r|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3COCC(C2)N3C(=O)CCC(F)(F)F)cn1
CC(C)(CNC1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1)C#N
CSc1ccccc1S(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cccc(c2)C(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(F)cc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(cc2)C(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(Cl)cc2F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3Cc2ccccc2F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cnc(C)s2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cc(C)ns2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccccc2C#N)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(O)(C2)C(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccccc2C#N)cn1 |r|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cccc(c2)C#N)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccncc2)cn1 |r|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3NCCC(F)(F)F)cn1 |r|
COC1(CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12)C(F)(F)F
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccccc2C#N)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccccc2C(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(cc2)C#N)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccccc2F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccc(C)nc2)cn1 |r|
FC(F)(F)CCC(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CCC4)c3)nc12
FC(F)(F)CCC(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CCCCC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)CC(O)C(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2(CCCC2)C#N)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cccc(F)c2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccsc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)Cc2ccccc2F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)Cc2cccc(F)c2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)Cc2ccc(F)cc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)Cc2ccccc2Cl)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccc(F)nc2)cn1 |r|
COc1ccc(CO[C@@H]2[C@H]3CC[C@@H]2CN(C3)c2cccn3nc(Nc4cnn(CC(=O)N5CCN(C)CC5)c4)nc23)cc1 |r|
CN([C@@H]1[C@H]2CC[C@@H]1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12)C(=O)CC(F)(F)F |r|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)Cc2cccc(Cl)c2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)Cc2ccc(Cl)cc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)Cc2ccccc2C(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)Cc2ccc(cc2)C#N)cn1
CSc1cccc(c1)S(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(F)C2)cn1
CSC1CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
CSC1CCN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(F)(F)C2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)CCCC(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cccnc2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)CCCC#N)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)C2CC2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)C2CCCCC2)cn1
FC(F)(F)CCC(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCC(CC4)N4CCn5nccc5C4)c3)nc12
CSC1CCN(CC1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CCC(C2)C(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CCC(CC2)C#N)cn1
CCS(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)Cc2ccc(cc2)C(F)(F)F)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccc(cc2)C#N)cn1
CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
CN(C)C(=O)c1cccc(CO[C@@H]2[C@H]3CC[C@@H]2CN(C3)c2cccn3nc(Nc4cnn(CC(=O)N5CCN(C)CC5)c4)nc23)c1 |r|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CCC(F)(F)CC2)cn1
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@H]3OCc2ccncc2)cn1 |r|
FC(F)(F)C1CC(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCC(CC4)NCC4(CC4)C#N)c3)nc12 |(12.08,-6.7,;12.08,-5.16,;13.41,-4.39,;13.41,-5.93,;10.74,-4.39,;9.26,-4.79,;8.85,-3.31,;10.34,-2.9,;7.52,-2.54,;6.19,-3.31,;7.52,-1,;6.18,-.23,;6.79,.62,;8.24,.62,;8.85,-.23,;8.84,1.31,;7.51,2.08,;6.18,1.31,;7.51,3.62,;8.84,4.39,;8.83,5.93,;7.5,6.7,;6.17,5.93,;4.7,6.4,;3.8,5.15,;2.26,5.15,;1.62,3.75,;2.38,2.41,;1.33,1.28,;-.07,1.92,;-1.41,1.16,;-2.73,1.94,;-2.72,3.48,;-4.07,1.19,;-4.09,-.35,;-5.43,-1.11,;-6.76,-.33,;-6.74,1.21,;-5.4,1.97,;-8.1,-1.09,;-9.41,-.33,;-10.74,-1.1,;-11.51,-2.43,;-9.97,-2.43,;-12.08,-.33,;-13.41,.44,;.11,3.45,;4.71,3.91,;6.17,4.39,)|
CN(CC1(CC1)C#N)C1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-8.11,-2.63,;-8.1,-1.09,;-9.41,-.33,;-10.74,-1.1,;-11.51,-2.43,;-9.97,-2.43,;-12.08,-.33,;-13.41,.44,;-6.76,-.33,;-5.43,-1.11,;-4.09,-.35,;-4.07,1.19,;-5.4,1.97,;-6.74,1.21,;-2.73,1.94,;-2.72,3.48,;-1.41,1.16,;-.07,1.92,;.11,3.45,;1.62,3.75,;2.26,5.15,;3.8,5.15,;4.71,3.91,;6.17,4.39,;7.51,3.62,;8.84,4.39,;8.83,5.93,;7.5,6.7,;6.17,5.93,;4.7,6.4,;7.51,2.08,;6.18,1.31,;6.18,-.23,;6.79,.62,;8.24,.62,;8.85,-.23,;8.84,1.31,;7.52,-1,;7.52,-2.54,;6.19,-3.31,;8.85,-3.31,;9.26,-4.79,;10.74,-4.39,;10.34,-2.9,;12.08,-5.16,;12.08,-6.7,;13.41,-4.39,;13.41,-5.93,;2.38,2.41,;1.33,1.28,)|
FC(F)(F)C1CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4COC4)c3)nc12
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2cccc(CO)c2)cn1 |r|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2cnc(CC(F)(F)F)s2)cn1
CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-12.99,1.1,;-11.75,.19,;-10.34,.81,;-9.1,-.11,;-7.69,.51,;-6.45,-.4,;-5.04,.21,;-4.87,1.74,;-6.11,2.66,;-7.52,2.04,;-3.45,2.36,;-3.28,3.89,;-2.21,1.45,;-.8,2.07,;-.47,3.57,;1.06,3.72,;1.84,5.05,;3.38,5.05,;4.29,3.81,;5.75,4.28,;7.08,3.52,;8.42,4.29,;8.41,5.83,;7.08,6.6,;5.75,5.82,;4.28,6.3,;7.09,1.98,;5.76,1.2,;5.76,-.34,;6.37,.51,;7.82,.52,;8.43,-.33,;8.42,1.21,;7.09,-1.1,;7.1,-2.64,;5.77,-3.42,;8.43,-3.41,;8.84,-4.9,;10.32,-4.49,;9.92,-3.01,;11.66,-5.26,;10.89,-6.6,;12.43,-3.93,;12.99,-6.03,;1.68,2.31,;.53,1.29,)|
CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2cccc(c2)C#N)cn1
CCOC(C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1CCCCCC1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CCOCC2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC2CCOCC2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC(=O)N(C)C)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC(=O)N2CCOCC2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCCS(C)(=O)=O)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC2CNC(=O)O2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN(C)S(C)(=O)=O)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN(C)C)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC2CCS(=O)(=O)CC2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCCN(C)C)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CS(=O)(=O)C1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](C)CO)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](C)CO)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC2(CO)COC2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H]2CCC(=O)N2)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H]2CCC(=O)N2)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCCO)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCO)c1
CC[C@@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCS(=O)(=O)CC1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCS(C)(=O)=O)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCS(=O)(=O)N(C)C)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCS(N)(=O)=O)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCNCC1
CC(C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCNCC1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H]2CCCN2)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H]2CCCN2)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H]1CCCNC1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H]2COCCN2)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(C)=O
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)S(C)(=O)=O
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)COC
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)NC
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)N(C)C
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)CN
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)S(C)(=O)=O
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(C)=O
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)NC
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)N(C)C
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)P(=O)(N(C)C)N(C)C
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C(C)C
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C1CC1
CCC(C(O)=O)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
CCC(CO)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
CC(CO)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
CCC(CCO)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
CCC1(CN(C1)S(=O)(=O)C(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(C)CCCC1
CCC(C)(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1CCCC1CO
CC1CCCCCC1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1CCCC1O
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)C(C)(C)O)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)C(C)(C)O)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC(O)CO)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)[C@@H](C)O)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC(C)(O)CO)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC(CO)CO)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCC(O)CO)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC(O)CCO)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC[C@@H](O)CO)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)[C@H](C)O)c1 |r|
CCC(c1ccccc1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CCC(C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC[C@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC[C@@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC[C@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
CC[C@@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
CCC[C@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CCC[C@@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CCC[C@@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
CC(C)C[C@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC(C)C[C@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
CC(C)C[C@@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC(C)C[C@@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
CCC(C1CC(F)(F)C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC(C)[C@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO
CCC[C@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO |r|
CCC[C@@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO |r|
CC[C@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO |r|
CC[C@@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO |r|
CCC[C@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
CC(C)C[C@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO |r|
CC(C)C[C@@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H](C)[C@H](O)CO |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H](C)[C@H](O)CO |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H](C)[C@@H](O)CO |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H](C)[C@@H](O)CO |r|
C[C@@H]1CCC[C@@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC1(C)CCC[C@@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC(=O)NC(C)C)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC(O)CN)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CN(C)C)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CNC)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CN(C)C)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CNC)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CN2CC(C2)OC)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CN2CC(C2)OC)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CN2CCCC2)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CN2CCCC2)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)COC)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)COC)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](C)O)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](C)O)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC(O)CC(F)(F)F)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC(O)C(C)(C)C)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC(O)C(C)C)c1
CC[C@H](O)Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C(CC)CC |r|
CC[C@@H](O)Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C(CC)CC |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC2(O)CCOCC2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC(C)(C)O)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CC[C@H](O)CC1 |r,wD:27.31,(.79,4.45,;-.3,3.36,;-1.78,3.76,;-2.18,5.25,;-1.09,6.34,;-2.87,2.67,;-2.4,1.21,;-3.64,.3,;-4.89,1.21,;-4.41,2.67,;-3.64,-1.24,;-2.31,-2.01,;-2.31,-3.55,;-3.64,-4.32,;-4.98,-3.55,;-6.44,-4.03,;-7.35,-2.78,;-6.44,-1.53,;-4.98,-2.01,;-.97,-4.32,;-.97,-5.86,;.49,-6.34,;1.4,-5.09,;.49,-3.84,;2.88,-4.69,;3.28,-3.2,;4.77,-2.81,;5.86,-3.89,;7.35,-3.5,;5.46,-5.38,;3.97,-5.78,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@H](O)C1 |r,wU:26.30,(1.23,4.45,;.14,3.36,;-1.35,3.76,;-1.75,5.25,;-.66,6.34,;-2.44,2.67,;-1.96,1.21,;-3.21,.3,;-4.45,1.21,;-3.98,2.67,;-3.21,-1.24,;-1.87,-2.01,;-1.87,-3.55,;-3.21,-4.32,;-4.54,-3.55,;-6,-4.03,;-6.91,-2.78,;-6,-1.53,;-4.54,-2.01,;-.54,-4.32,;-.54,-5.86,;.93,-6.34,;1.83,-5.09,;.93,-3.84,;3.32,-4.69,;4.65,-5.46,;5.42,-4.13,;6.91,-3.73,;4.09,-3.36,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H]2C[C@H](O)C2)c1 |r,wU:24.26,26.29,(1.71,5.9,;.62,4.82,;-.87,5.21,;-1.26,6.7,;-.18,7.79,;-1.96,4.12,;-1.48,2.66,;-2.73,1.75,;-3.97,2.66,;-3.5,4.12,;-2.73,.21,;-1.39,-.56,;-1.39,-2.1,;-2.73,-2.87,;-4.06,-2.1,;-5.52,-2.57,;-6.43,-1.33,;-5.52,-.08,;-4.06,-.56,;-.06,-2.87,;-.06,-4.41,;1.41,-4.88,;2.31,-3.64,;3.8,-3.24,;4.57,-4.57,;4.17,-6.06,;5.66,-6.46,;6.43,-7.79,;6.06,-4.97,;1.41,-2.39,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CC[C@H](O)CC1 |r,wU:27.31,(.79,4.45,;-.3,3.36,;-1.78,3.76,;-2.18,5.25,;-1.09,6.34,;-2.87,2.67,;-2.4,1.21,;-3.64,.3,;-4.89,1.21,;-4.41,2.67,;-3.64,-1.24,;-2.31,-2.01,;-2.31,-3.55,;-3.64,-4.32,;-4.98,-3.55,;-6.44,-4.03,;-7.35,-2.78,;-6.44,-1.53,;-4.98,-2.01,;-.97,-4.32,;-.97,-5.86,;.49,-6.34,;1.4,-5.09,;.49,-3.84,;2.88,-4.69,;3.97,-5.78,;5.46,-5.38,;5.86,-3.89,;7.35,-3.5,;4.77,-2.81,;3.28,-3.2,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC2C[C@H](CO)C2)c1 |r,wU:26.29,(-7.3,12.81,;-6.53,14.15,;-4.99,14.15,;-4.22,15.48,;-2.68,15.48,;-4.22,12.81,;-4.69,11.35,;-3.45,10.44,;-2.2,11.35,;-2.68,12.81,;-3.45,8.9,;-2.11,8.13,;-2.11,6.59,;-3.45,5.82,;-4.78,6.59,;-6.25,6.12,;-7.15,7.36,;-6.25,8.61,;-4.78,8.13,;-.78,5.82,;-.78,4.28,;.68,3.81,;1.59,5.05,;3.13,5.05,;3.9,3.72,;3.5,2.23,;4.99,1.83,;5.76,.5,;7.3,.5,;5.39,3.32,;.68,6.3,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(C)(C)CO
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(C)CO
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H](C)CO |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC2CNCCO2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H]2CNCCO2)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](CO)N(C)C)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](N)CO)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](CO)N(C)C)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H]1C[C@H](O)[C@H](O)C1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCNC2CC2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CCCC2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](C2)OC)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@@H](C2)OC)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC(F)C2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CCC(O)CC2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@@H](O)C2)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN[C@H]2CCN(C)C2=O)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN[C@@H]2CCN(C)C2=O)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CCNC(=O)C2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCNC2CC(CO)C2)c1 |(-.01,7,;-1.09,5.91,;-2.58,6.31,;-2.98,7.8,;-1.89,8.89,;-3.67,5.22,;-3.19,3.76,;-4.44,2.85,;-5.69,3.76,;-5.21,5.22,;-4.44,1.31,;-3.11,.54,;-3.11,-1,;-4.44,-1.77,;-5.77,-1,;-7.24,-1.47,;-8.14,-.23,;-7.24,1.02,;-5.77,.54,;-1.77,-1.77,;-.31,-1.29,;.6,-2.54,;-.31,-3.78,;.09,-5.27,;1.58,-5.67,;1.98,-7.16,;3.46,-7.55,;4.23,-8.89,;5.57,-8.12,;7.06,-8.52,;8.14,-7.43,;4.8,-6.78,;-1.77,-3.31,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CCC(CO)CC2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CCNCC2=O)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](CN)OC)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](CN)OC)c1 |r|
C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO |r|
C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H]1CCC[C@H]1O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1CCC[C@@H]1O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H](C)[C@H](C)O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H](C)[C@@H](C)O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H](C)[C@@H](C)O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H](C)[C@H](C)O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H]1COC[C@H]1O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1COC[C@@H]1O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@H](O)C1 |r,wU:26.30,wD:24.27,(-1.67,6.5,;-2.44,5.17,;-1.67,3.84,;-.13,3.84,;.64,5.17,;-2.44,2.5,;-1.96,1.04,;-3.21,.13,;-4.45,1.04,;-3.98,2.5,;-3.21,-1.41,;-1.87,-2.18,;-1.87,-3.72,;-3.21,-4.49,;-4.54,-3.72,;-6,-4.19,;-6.91,-2.95,;-6,-1.7,;-4.54,-2.18,;-.54,-4.49,;-.54,-6.03,;.93,-6.5,;1.83,-5.26,;.93,-4.01,;3.32,-4.86,;4.65,-5.63,;5.42,-4.3,;6.91,-3.9,;4.09,-3.53,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@](C)(O)C1 |r,wU:26.31,wD:26.30,(.46,9.04,;-.31,7.71,;.46,6.38,;2,6.38,;2.77,7.71,;-.31,5.04,;.17,3.58,;-1.08,2.67,;-2.33,3.58,;-1.85,5.04,;-1.08,1.13,;.25,.36,;.25,-1.18,;-1.08,-1.95,;-2.41,-1.18,;-3.88,-1.65,;-4.78,-.41,;-3.88,.84,;-2.41,.36,;1.59,-1.95,;3.05,-1.47,;3.96,-2.72,;3.05,-3.96,;1.59,-3.49,;3.45,-5.45,;4.78,-6.22,;4.01,-7.56,;3.24,-8.89,;4.41,-9.04,;2.68,-6.79,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@](O)(CO)C1 |r,wU:26.30,wD:26.31,(-.1,19.14,;-.87,17.8,;-.1,16.47,;1.44,16.47,;2.21,17.8,;-.87,15.13,;-.39,13.67,;-1.64,12.77,;-2.88,13.67,;-2.41,15.13,;-1.64,11.23,;-.3,10.46,;-.3,8.92,;-1.64,8.15,;-2.97,8.92,;-4.44,8.44,;-5.34,9.69,;-4.44,10.93,;-2.97,10.46,;1.03,8.15,;2.49,8.62,;3.4,7.38,;2.49,6.13,;1.03,6.61,;2.89,4.64,;2.12,3.31,;3.46,2.54,;5,2.54,;3.85,1.05,;5.34,.65,;4.23,3.87,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@H](CO)C1 |r,wU:26.30,(-2.21,6.5,;-2.98,5.17,;-2.21,3.84,;-.67,3.84,;.1,5.17,;-2.98,2.5,;-2.5,1.04,;-3.75,.13,;-5,1.04,;-4.52,2.5,;-3.75,-1.41,;-2.42,-2.18,;-2.42,-3.72,;-3.75,-4.49,;-5.08,-3.72,;-6.55,-4.19,;-7.45,-2.95,;-6.55,-1.7,;-5.08,-2.18,;-1.08,-4.49,;-1.08,-6.03,;.38,-6.5,;1.29,-5.26,;.38,-4.01,;2.77,-4.86,;4.11,-5.63,;4.88,-4.3,;6.37,-3.9,;7.45,-4.99,;3.54,-3.53,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@H](CO)C1 |r,wU:26.30,(.75,4.49,;-.33,3.4,;-1.82,3.8,;-2.22,5.29,;-1.13,6.38,;-2.91,2.71,;-2.43,1.25,;-3.68,.34,;-4.93,1.25,;-4.45,2.71,;-3.68,-1.2,;-2.35,-1.97,;-2.35,-3.51,;-3.68,-4.28,;-5.01,-3.51,;-6.48,-3.98,;-7.38,-2.74,;-6.48,-1.49,;-5.01,-1.97,;-1.01,-4.28,;-1.01,-5.82,;.45,-6.29,;1.36,-5.05,;.45,-3.8,;2.9,-5.05,;3.99,-6.13,;5.07,-5.05,;6.61,-5.05,;7.38,-6.38,;3.99,-3.96,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@@H](C1)C(N)=O |r,wU:26.32,wD:24.27,(-2.14,6.55,;-2.91,5.21,;-2.14,3.88,;-.6,3.88,;.17,5.21,;-2.91,2.55,;-2.43,1.08,;-3.68,.18,;-4.93,1.08,;-4.45,2.55,;-3.68,-1.36,;-2.35,-2.13,;-2.35,-3.67,;-3.68,-4.44,;-5.01,-3.67,;-6.48,-4.15,;-7.38,-2.9,;-6.48,-1.66,;-5.01,-2.13,;-1.01,-4.44,;-1.01,-5.98,;.45,-6.46,;1.36,-5.21,;.45,-3.97,;2.9,-5.21,;3.99,-6.3,;5.07,-5.21,;3.99,-4.12,;6.61,-5.21,;7.38,-6.55,;7.38,-3.88,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(N)=O |r,wU:26.32,(.75,4.49,;-.33,3.4,;-1.82,3.8,;-2.22,5.29,;-1.13,6.38,;-2.91,2.71,;-2.43,1.25,;-3.68,.34,;-4.93,1.25,;-4.45,2.71,;-3.68,-1.2,;-2.35,-1.97,;-2.35,-3.51,;-3.68,-4.28,;-5.01,-3.51,;-6.48,-3.98,;-7.38,-2.74,;-6.48,-1.49,;-5.01,-1.97,;-1.01,-4.28,;-1.01,-5.82,;.45,-6.29,;1.36,-5.05,;.45,-3.8,;2.9,-5.05,;3.99,-6.13,;5.07,-5.05,;3.99,-3.96,;6.61,-5.05,;7.38,-6.38,;7.38,-3.71,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)N(C)C |r,wU:26.32,(-.02,5.16,;-1.1,4.07,;-2.59,4.47,;-2.99,5.96,;-1.9,7.05,;-3.68,3.38,;-3.2,1.92,;-4.45,1.01,;-5.7,1.92,;-5.22,3.38,;-4.45,-.53,;-3.12,-1.3,;-3.12,-2.84,;-4.45,-3.61,;-5.78,-2.84,;-7.25,-3.31,;-8.15,-2.07,;-7.25,-.82,;-5.78,-1.3,;-1.78,-3.61,;-1.78,-5.15,;-.32,-5.62,;.59,-4.38,;-.32,-3.13,;2.13,-4.38,;3.22,-5.47,;4.3,-4.38,;3.22,-3.29,;5.84,-4.38,;6.61,-3.05,;6.61,-5.71,;5.84,-7.05,;8.15,-5.71,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@@H](C1)C(=O)NCCO |r,wU:26.32,wD:24.27,(-4.07,7.21,;-4.84,5.88,;-4.07,4.55,;-2.53,4.55,;-1.76,5.88,;-4.84,3.21,;-4.36,1.75,;-5.61,.84,;-6.85,1.75,;-6.38,3.21,;-5.61,-.7,;-4.27,-1.47,;-4.27,-3.01,;-5.61,-3.78,;-6.94,-3.01,;-8.4,-3.48,;-9.31,-2.24,;-8.4,-.99,;-6.94,-1.47,;-2.94,-3.78,;-2.94,-5.32,;-1.47,-5.79,;-.57,-4.55,;-1.47,-3.3,;.97,-4.55,;2.06,-5.64,;3.15,-4.55,;2.06,-3.46,;4.69,-4.55,;5.46,-3.21,;5.46,-5.88,;7,-5.88,;7.77,-7.21,;9.31,-7.21,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)NCCO |r,wU:26.32,(-1.17,5.16,;-2.26,4.07,;-3.75,4.47,;-4.15,5.96,;-3.06,7.05,;-4.84,3.38,;-4.36,1.92,;-5.61,1.01,;-6.85,1.92,;-6.38,3.38,;-5.61,-.53,;-4.27,-1.3,;-4.27,-2.84,;-5.61,-3.61,;-6.94,-2.84,;-8.4,-3.31,;-9.31,-2.07,;-8.4,-.82,;-6.94,-1.3,;-2.94,-3.61,;-2.94,-5.15,;-1.47,-5.62,;-.57,-4.38,;-1.47,-3.13,;.97,-4.38,;2.06,-5.47,;3.15,-4.38,;2.06,-3.29,;4.69,-4.38,;5.46,-3.05,;5.46,-5.71,;7,-5.71,;7.77,-7.05,;9.31,-7.05,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)[C@H](C)O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)CO
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)[C@@H](C)O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C(C)(C)O
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C1(O)CC1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C1C[C@H](O)C1 |r,wU:32.37,(2.16,9,;1.07,7.91,;-.41,8.31,;-.81,9.8,;.28,10.89,;-1.5,7.22,;-1.03,5.76,;-2.27,4.85,;-3.52,5.76,;-3.04,7.22,;-2.27,3.31,;-.94,2.54,;-.94,1,;-2.27,.23,;-3.61,1,;-5.07,.53,;-5.98,1.77,;-5.07,3.02,;-3.61,2.54,;.39,.23,;1.86,.71,;2.76,-.54,;1.86,-1.78,;.39,-1.31,;2.63,-3.12,;2.23,-4.6,;3.72,-5,;4.12,-3.51,;4.49,-6.34,;5.98,-6.73,;3.72,-7.67,;2.23,-8.07,;2.63,-9.56,;1.86,-10.89,;4.12,-9.16,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C1C[C@H](O)C1 |r,wD:32.37,(2.16,9,;1.07,7.91,;-.41,8.31,;-.81,9.8,;.28,10.89,;-1.5,7.22,;-1.03,5.76,;-2.27,4.85,;-3.52,5.76,;-3.04,7.22,;-2.27,3.31,;-.94,2.54,;-.94,1,;-2.27,.23,;-3.61,1,;-5.07,.53,;-5.98,1.77,;-5.07,3.02,;-3.61,2.54,;.39,.23,;1.86,.71,;2.76,-.54,;1.86,-1.78,;.39,-1.31,;2.63,-3.12,;2.23,-4.6,;3.72,-5,;4.12,-3.51,;4.49,-6.34,;5.98,-6.73,;3.72,-7.67,;4.12,-9.16,;2.63,-9.56,;1.86,-10.89,;2.23,-8.07,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)CN1CC(O)C1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)CN1CCCC1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C(=O)N(C)C
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](N)C(C)(C)O)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC2(O)CCNCC2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC2(O)CCN(CC2)C(C)=O)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)CN
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)CNC
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCNC[C@H]1O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H]1CCC[C@@H]1O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1CCC[C@H]1O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC(C)(C)CO)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC2(CO)CC2)c1
CCC(n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1)C(F)(F)F |r|
C[C@H](CC(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC[C@H](C1CCC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC[C@@H](C1CCC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CCC(n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1)C(C)(F)F |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CCO)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CCO)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@](C)(O)CO)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r|
CCC([C@@H]1CC1(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CCC(CC1CC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC[C@@H]1CCC[C@@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC[C@H]1CCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC[C@H](CC(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC[C@@H](CC(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC[C@H](CC(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO |r|
CC[C@@H](CC(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO |r|
CCC(C1CC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CCC(C1CC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO
OC[C@H](O)Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C(C1CC1)C1CC1 |r|
C[C@@H]1CCC1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
Fc1cnc(Nc2ccnnc2)nc1N1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC1 |r,THB:22:21:14.15.20:18.17|
CCCNC(=O)c1cc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)[nH]n1 |r,THB:25:24:17.18.23:21.20|
NC(=O)c1cn2ccc(Nc3ncc(F)c(n3)N3C[C@@H]4CC[C@H](C3)N4C(=O)C3CC3)cc2n1 |r,THB:25:24:17.18.23:21.20|
NS(=O)(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cn1 |r,THB:24:23:16.17.22:20.19|
CCNC(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1 |r,THB:3:5:11.12.10:8.7|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1C |r,TLB:13:15:22:19.18|
Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14|
CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1 |r,THB:25:24:17.18.23:21.20|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1Cl |r,THB:23:22:15.16.21:19.18|
C[C@@H](CO)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2(F)F)cn1 |r,TLB:13:15:22:19.18|
C[C@H](CO)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2(F)F)cn1 |r,TLB:13:15:22:19.18|
CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)CC#N)cc1 |r,THB:24:23:16.17.22:20.19|
CCNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1C |r,THB:24:23:16.17.22:20.19|
Cc1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cnc1C(N)=O |r,THB:19:18:11.12.17:15.14|
OCCn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cn1 |r,THB:21:20:13.14.19:17.16|
O=C(N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1)c1ccno1 |r,THB:1:2:8.9.7:5.4|
OCCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1Cl |r,THB:22:21:14.15.20:18.17|
OCCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:22:21:14.15.20:18.17|
O[C@H]1CCN(C1)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:25:24:17.18.23:21.20|
O[C@@H]1CCN(C1)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:25:24:17.18.23:21.20|
OC1CN(C1)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:24:23:16.17.22:20.19|
OCCOc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1Cl |r,THB:23:22:15.16.21:19.18|
CCn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C#N)cn1 |r,THB:20:19:12.13.18:16.15|
OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16|
CC(C)(C#N)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:24:23:16.17.22:20.19|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C#N)cc1F |r,THB:23:22:15.16.21:19.18|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2(F)F)cc1F |r,THB:23:22:15.16.21:19.18|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1Cl |r,THB:23:22:15.16.21:19.18|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C#N)cc1Cl |r,THB:23:22:15.16.21:19.18|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C#N)cc1C |r,THB:23:22:15.16.21:19.18|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1C |r,THB:23:22:15.16.21:19.18|
Cc1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2(F)F)cnc1C(N)=O |r,THB:19:18:11.12.17:15.14|
Cc1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cnc1C(N)=O |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@@H]2[N+]#[C-])cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@H]2[N+]#[C-])cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC(F)(F)C2)cn1 |r,THB:19:18:11.12.17:15.14|
CNC(=O)c1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc(C)n1 |r,THB:22:21:14.15.20:18.17|
CNC(=O)c1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc(CO)n1 |r,THB:22:21:14.15.20:18.17|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@H]2F)cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@@H]2F)cn1 |r,THB:19:18:11.12.17:15.14|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@@H]2F)cc1C |r,THB:23:22:15.16.21:19.18|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2F)cc1C |r,THB:23:22:15.16.21:19.18|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2(F)CC2)cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCCC#N)cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)Nc2ccc(cn2)C(F)(F)F)cn1 |r,THB:19:18:11.12.17:15.14|
O=C(C1CC1)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1 |r,THB:1:5:11.12.10:8.7|
FC1(F)C[C@@H]1C(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1 |r,THB:5:7:13.14.12:10.9|
FC1(F)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1 |r,THB:5:7:13.14.12:10.9|
O=C(C1CC1)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cnsc2)n1 |r,THB:1:5:11.12.10:8.7|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3Cc2ccno2)cc1C |r,THB:23:22:15.16.21:19.18|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3CC2(C)COC2)cc1C |r,TLB:13:15:22:19.18|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3Cc2ccns2)cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3Cc2ccno2)cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3Cc2nccs2)cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3Cc2cnoc2)cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C2CC(C2)C#N)cn1 |r,wD:13.20,16.19,THB:19:18:11.12.17:15.14,(3.51,-2.94,;3.01,-4.39,;1.48,-4.94,;1.48,-6.48,;.15,-7.25,;-1.18,-6.48,;-2.52,-7.25,;-3.85,-6.48,;-3.85,-4.94,;-2.52,-4.17,;-1.18,-4.94,;-2.52,-2.63,;-1.18,-1.86,;-1.18,-.32,;-1.74,-1.29,;-3.28,-1.29,;-3.85,-.32,;-3.85,-1.86,;-2.52,.45,;-2.52,1.99,;-1.43,3.08,;-2.52,4.19,;-3.61,3.08,;-2.52,5.73,;-2.52,7.27,;2.95,-6.95,;3.85,-5.71,)|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C2CN(C2)S(C)(=O)=O)cn1 |r,TLB:9:11:18:15.14|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@@H](C2)C#N)cc1C |r,wU:23.25,wD:17.24,20.23,25.30,THB:23:22:15.16.21:19.18,(4.67,-6.48,;4.67,-4.94,;3.33,-4.17,;3.33,-2.63,;2,-4.94,;.67,-4.17,;-.67,-4.94,;-.67,-6.48,;-2,-7.25,;-3.33,-6.48,;-4.67,-7.25,;-6,-6.48,;-6,-4.94,;-4.67,-4.17,;-3.33,-4.94,;-4.67,-2.63,;-3.33,-1.86,;-3.33,-.32,;-3.89,-1.29,;-5.43,-1.29,;-6,-.32,;-6,-1.86,;-4.67,.45,;-4.67,1.99,;-5.76,3.08,;-4.67,4.19,;-3.58,3.08,;-4.67,5.73,;-4.67,7.27,;.67,-7.25,;2.05,-6.51,;3.38,-7.28,)|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3[C@@H]2C[C@@H](C2)C#N)cc1C |r,wU:23.25,25.30,wD:17.24,20.23,THB:23:22:15.16.21:19.18,(6,-4.17,;4.67,-4.94,;3.33,-4.17,;3.33,-2.63,;2,-4.94,;.67,-4.17,;-.67,-4.94,;-.67,-6.48,;-2,-7.25,;-3.33,-6.48,;-4.67,-7.25,;-6,-6.48,;-6,-4.94,;-4.67,-4.17,;-3.33,-4.94,;-4.67,-2.63,;-3.33,-1.86,;-3.33,-.32,;-3.89,-1.29,;-5.43,-1.29,;-6,-.32,;-6,-1.86,;-4.67,.45,;-4.67,1.99,;-3.58,3.08,;-4.67,4.19,;-5.76,3.08,;-4.67,5.73,;-4.67,7.27,;.67,-7.25,;2.05,-6.51,;3.38,-7.28,)|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C[C@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14|
FC1(F)CC1CN1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1 |r,THB:5:6:12.13.11:9.8|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3CC2CC2(F)F)cc1C |r,THB:23:22:15.16.21:19.18|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3CC2C[C@H]2C#N)cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3CC2C[C@@H]2C#N)cn1 |r,THB:19:18:11.12.17:15.14|
[C-]#[N+]C1(CN2[C@H]3CC[C@@H]2CN(C3)c2ccnc(Nc3cn[nH]c3)n2)CC1 |r,THB:12:10:4:7.6|
CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C(F)(F)F)cc1C |r,THB:25:24:17.18.23:21.20|
CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1C |r,THB:25:24:17.18.23:21.20|
CCNC(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cnsc2)n1 |r,THB:3:5:11.12.10:8.7|
CCNC(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cnc(C(=O)NC)c(Cl)c2)n1 |r,THB:3:5:11.12.10:8.7|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(N)=O)cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3S(C)(=O)=O)cn1 |r,TLB:9:11:18:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3c2ncc(o2)[N+]#[C-])cn1 |r,THB:19:18:11.12.17:15.14|
N#CCCN1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1 |r,THB:3:4:10.11.9:7.6|
CC(CC#N)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cnn(C)c2)n1 |r,THB:1:5:11.12.10:8.7|
CC(CC#N)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1 |r,THB:1:5:11.12.10:8.7|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C2(C[N+]#[C-])CN(C2)S(C)(=O)=O)cn1 |r,TLB:9:11:18:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C2(C[N+]#[C-])COC2)cn1 |r,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1 |r,THB:19:18:11.12.17:15.14|
CCNC(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cnn(C)c2)n1 |r,THB:3:5:11.12.10:8.7|
CCNC(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cnc(C(=O)NC)c(F)c2)n1 |r,THB:3:5:11.12.10:8.7|
CC(C)NC(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cnn(C)c2)n1 |r,THB:4:6:12.13.11:9.8|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cc1C |r,THB:23:22:15.16.21:19.18|
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cc1C |r,THB:23:22:15.16.21:19.18|
CCNC(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cnc(C(=O)NC)c(C)c2)n1 |r,THB:3:5:11.12.10:8.7|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3c2cc(ccn2)[N+]#[C-])cn1 |r,THB:19:18:11.12.17:15.14|
C[C@@H]1[C@H]2[C@@]1(CN(C2)c3c(cnc(n3)Nc4cnn(c4)C)F)NC(=O)[C@@H]5CC5(F)F
C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@H]1CC1(F)F)c1nc(Nc2cnn(C)c2)ncc1F |r|
C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1[N+]#[C-])c1nc(Nc2cnn(C)c2)ncc1F |r|
C[C@H]1[C@H]2CN(C[C@@]12NC(=O)[C@@H]1CC1(F)F)c1nc(Nc2cnn(C)c2)ncc1F |r|
C[C@H]1[C@H]2CN(C[C@@]12NC(=O)[C@H]1CC1(F)F)c1nc(Nc2cnn(C)c2)ncc1F |r|
C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@H]1C[C@@H]1[N+]#[C-])c1nc(Nc2ccc(OCCO)nc2)ncc1C |r|
C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1CC1(F)F)c1nc(Nc2cnn(c2)C2COC2)ncc1F |r|
CNC(=O)c1ncc(Nc2ncc(F)c(n2)N2C[C@H]3[C@@H](C)[C@]3(C2)NC(=O)C2CC2)cc1C |r|
CNC(=O)c1ncc(Nc2ncc(F)c(n2)N2C[C@@H]3[C@H](C)[C@@]3(C2)NC(=O)C2CC2)cc1C |r|
C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)C1CC1)c1nc(Nc2ccc(CCO)nc2)ncc1F |r|
C[C@H](CO)c1ccc(Nc2ncc(F)c(n2)N2C[C@H]3[C@@H](C)[C@]3(C2)NC(=O)C2CC2)cn1 |r|
C[C@@H](CO)c1ccc(Nc2ncc(F)c(n2)N2C[C@H]3[C@@H](C)[C@]3(C2)NC(=O)C2CC2)cn1 |r|
C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)C1CC1)c1nc(Nc2cnc(CO)c(Cl)c2)ncc1F |r|
C[C@H](O)c1ncc(Nc2ncc(F)c(n2)N2C[C@H]3[C@@H](C)[C@]3(C2)NC(=O)C2CC2)cc1Cl |r|
OCCn1cc(Nc2ncc(Cl)c(n2)N2CC3C[C@]3(C2)NC(=O)C2CC2)cn1 |r|
OCCn1cc(Nc2ncc(Cl)c(n2)N2CC3C[C@@]3(C2)NC(=O)C2CC2)cn1 |r|
Cn1cc(Nc2ncc(F)c(n2)N2C[C@@]3(CO)C[C@]3(C2)NC(=O)[C@@H]2CC2(F)F)cn1 |r|
Cn1cc(Nc2ncc(F)c(n2)N2C[C@@]3(CO)C[C@]3(C2)NC(=O)[C@@H]2C[C@H]2[N+]#[C-])cn1 |r|
CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(F)F)cc1C |THB:15:17:23:20|
CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20|
CCNC(=O)c1ccc(Nc2nccc(n2)N2CC3CC(C2)N3C(=O)C2CC2)cc1C
CCNC(=O)c1ccc(Nc2nccc(n2)N2CC3CC(C2)N3C(=O)C(C)(F)F)cc1 |THB:14:16:22:19|
CCNC(=O)c1ccc(Nc2nccc(n2)N2CC3CC(C2)N3C(=O)C(F)(F)F)cc1C
CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(F)(F)F)cc1C
NC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:22:21:14.15.20:18.17|
Fc1ccc(Nc2nn([C@H]3CCCC[C@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
Fc1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
Fc1cc(Nc2nn([C@@H]3CCCC[C@H]3C#N)c3cc[nH]c(=O)c23)ccn1 |r|
Fc1cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccn1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(CS(=O)(=O)N4CCCC4)cc3)c12)[C@@H]1CCCC[C@H]1C#N |r|
CS(=O)(=O)c1ccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
NS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
OC(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
FC(F)(F)CN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O |r|
Cn1ccc(NC(=O)Cc2cccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)c2)n1 |r|
O=C(NCc1cccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1)c1cnco1 |r|
O=C(NCc1cccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)c3cc[nH]c(=O)c23)c1)c1cnco1 |r|
O=C(NCc1cccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)c3cc[nH]c(=O)c23)c1)c1ncccn1 |r|
Cn1ccc(NC(=O)Cc2cccc(Nc3nn([C@@H]4CCCC[C@H]4C#N)c4cc[nH]c(=O)c34)c2)n1 |r|
CC(C)(C)OC(=O)NCc1cccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1 |r|
O=C(NCc1cccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1)c1ncccn1 |r|
CC(C)NS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)NCc3ccccc3)c12)[C@H]1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)NCC3CC3)c12)[C@H]1CCCC[C@@H]1C#N |r|
COCCNS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)NC3CCCCC3)c12)[C@H]1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)c12)[C@H]1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)c12)[C@H]1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3ccccc3)c12)[C@H]1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3cccc(Cn4ccnn4)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
Cc1cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCCC1 |r|
O=c1[nH]ccc2n(nc(Nc3cccc(Cn4nccn4)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
O=C(NCc1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)c1cnco1 |r|
O=C(NCc1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)c1ncccn1 |r|
CC(O)c1cccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1 |r|
CC(C)(C)OC(=O)NCc1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3cccc(CN4CCOCC4)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
CN(C)Cc1cccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1 |r|
CC(C)(C)OC(=O)NCc1cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1F |r|
CC(C)(C)OC(=O)NCc1cc(F)cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1 |r|
Cc1cn(Cc2cccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)c2)nn1 |r|
CC1(C)OCC(C)(O1)c1cccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1 |r|
FC(F)(F)CNCc1cccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1 |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1CNC(C)=O |r|
CC(C)(C)[S@@](=O)N[C@@H](c1cccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1)C(F)(F)F |r|
CC(C)(C)[S@](=O)N[C@H](c1cccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1)C(F)(F)F |r|
O=c1[nH]ccc2n(nc(Nc3cccc(Cn4cccn4)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
O=C(N1CCCC1)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(Cn4nccn4)cc3)c12)[C@H]1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3ccc(Cn4ccnn4)cc3)c12)[C@H]1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3cccc(Cn4ccnc4)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
OCC1(O)CCS(=O)(=O)c2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc12 |r|
CN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
O=c1[nH]ccc2n(nc(Nc3cccc(Cn4cncn4)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3cccc(Cn4cnnc4)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
CC(C)(O)c1cn(Cc2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2)nn1 |r|
CC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
O=c1[nH]ccc2n(nc(Nc3ccc4c(CNS4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
CC(C)(C)[S@@](=O)N[C@@H](c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC(C)(C)[S@](=O)N[C@H](c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
FC(F)(F)CNCc1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)CN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
O=c1[nH]ccc2n(nc(Nc3ccc4c(CCS4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
CCN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
FC(F)(F)CN1Cc2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1 |r|
CC(C)CN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
O=c1[nH]ccc2n(nc(Nc3ccc4c(CN(CC5CC5)S4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
CN1Cc2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc4c(CN(CC5CCCC5)S4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
C[C@@H](NCC(F)(F)F)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CN(C)C(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1C |r|
Cc1cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCOCC1 |r|
CN(C)C(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1C1CC1 |r|
OC(C(F)F)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)C3CCCN3)c12)[C@H]1CCCC[C@@H]1C#N |r|
C[C@H](NCC(F)(F)F)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)N1Cc2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1 |r|
CC(C)CN1Cc2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1 |r|
CCN1Cc2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc4CN(CC5CC5)Cc4c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
CSCc1cc(Cn2ccnn2)cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1 |r|
CC(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
OCCN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CC(C)(CCO)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CC(C)(CO)CN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
COCCN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CC(C)(O)c1cn(Cc2cccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)c2)nn1 |r|
COCC(C)(O)c1cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1S(C)(=O)=O |r|
CC(O)(CCO)c1cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1S(C)(=O)=O |r|
CC(O)(CO)c1cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1S(C)(=O)=O |r|
O[C@@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(cc2)C(F)(F)F)c2c1cc[nH]c2=O |r|
O[C@H]1CC[C@H]([C@@H](C1)C#N)n1nc(Nc2ccc(cc2)C(F)(F)F)c2c1cc[nH]c2=O |r|
O[C@@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r|
Clc1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
Fc1cc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccn1 |r|
Fc1cc(Nc2nn(C3CCC[C@H]3C#N)c3cc[nH]c(=O)c23)ccn1 |r|
CS(=O)(=O)c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CS(=O)(=O)c1ccc(Nc2nn([C@@H]3CCC[C@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)CN1Cc2cc(Nc3nn([C@H]4CCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O |r|
OC(c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
NS(=O)(=O)c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
FC(F)(F)CN1Cc2cc(Nc3nn([C@H]4CCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CN1Cc2cc(Nc3nn([C@H]4CCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
NC(c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC(C)S(=O)(=O)c1ccc(Nc2nn(C3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn(C3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)NS(=O)(=O)c1ccc(Nc2nn(C3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)S(=N)(=O)c1ccc(Nc2nn(C3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CS(=N)(=O)c1ccc(Nc2nn(C3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)C#N)c12)[C@H]1CCC[C@@H]1C#N |r|
CCNC(c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC(C)NC(c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CCOC(=O)C(C)(C)C(O)(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC(C)OC(=O)C(C)(C)C(O)(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC1(C)Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1(O)C(F)(F)F |r|
OC1(c2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2CC11CC1)C(F)(F)F |r|
COC(C)(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC1N(C)S(=O)(=O)c2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc12 |r|
CC1N(CC(F)(F)F)S(=O)(=O)c2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc12 |r|
Cc1cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCC(F)(F)CC1 |r|
C[C@@H]1CN([C@@H](C)CO1)c1ccc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2n1 |r|
C[C@H]1CN([C@@H](C)CO1)c1ccc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2n1 |r|
C[C@@H]1CN([C@H](C)CO1)c1ccc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2n1 |r|
CC(C)(C)OC(=O)C1CCC(CC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O |r,wU:27.29,wD:22.22,(-14.64,.35,;-13.1,.35,;-13.1,1.89,;-13.1,-1.19,;-11.56,.35,;-10.79,-.99,;-11.56,-2.32,;-9.25,-.99,;-8.48,-2.32,;-6.94,-2.32,;-6.17,-.99,;-6.94,.35,;-8.48,.35,;-4.63,-.99,;-3.72,-2.23,;-2.26,-1.76,;-.92,-2.53,;.41,-1.76,;1.74,-2.53,;3.08,-1.76,;4.48,-2.38,;5.51,-1.24,;7.05,-1.4,;7.67,-2.81,;9.2,-2.97,;10.11,-1.72,;9.48,-.31,;7.95,-.15,;7.32,1.25,;6.7,2.66,;4.74,.1,;5.22,1.56,;4.19,2.7,;2.68,2.38,;2.21,.92,;.7,.6,;3.24,-.22,;.41,-.22,;-.92,.55,;-2.26,-.22,;-3.72,.26,;-4.2,1.72,)|
CC(O)(c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC(C)(C)NS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CN(C(C)(C)C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
COCCn1cc(cn1)-c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
Cn1cc(cn1)-c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1Cl |r|
CC(C)(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)n1ccnn1 |r|
CC(C)[C@H](C)N1Cc2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1 |r|
CC(C)[C@@H](C)N1Cc2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1 |r|
CC(C)(C)OC(=O)CCN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CC(C)(C)OC(=O)CN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CC(C)(C)OC(=O)C(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CC(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O |r|
O=C1N(Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12)C1CCCC1 |r|
CC(C)(C)OC(=O)CC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
O=c1[nH]ccc2n(nc(Nc3ccc4CNCCc4c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3ccc4CCNCc4c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
O=C(N1Cc2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1)c1cnc(cn1)N1CCCCC1 |r|
COCC(C)(C)CN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
COCC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
COCCC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
O=c1[nH]ccc2n(nc(Nc3ccc4CN(CC5CCCC5)Cc4c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
CC(C)(C)OC(=O)CCN1Cc2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1 |r|
CC(C)(C)OC(=O)CN1Cc2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1 |r|
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r,THB:5:7:13.12.14:10.9|
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r,THB:5:7:13.12.14:10.9|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CCCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@@H]3CCCCC[C@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CCCCC[C@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@@H]3CCCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC1(C)C(=O)c2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CC1(C)C(O)c2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
OC1c2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S(=O)(=O)C11CCCCC1 |r|
CC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CC(C)(C)N1Cc2cc(Nc3nn([C@@H]4CCCCC[C@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCCC[C@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CC(C)(C)N1Cc2cc(Nc3nn([C@@H]4CCCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
C[C@H](N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O)C1CC1
C[C@H](N[C@H]1CC[C@H]([C@@H](C1)C#N)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O)C1CC1
C[C@H](N[C@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O)C1CC1
C[C@H](N[C@@H]1CC[C@H]([C@@H](C1)C#N)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O)C1CC1
CN(C)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(Cl)c(F)c2)c2c1cc[nH]c2=O |r|
CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(Cl)c(F)c2)c2c1cc[nH]c2=O
Fc1cc(Nc2nn([C@H]3CC[C@H](C[C@@H]3C#N)N3CCC3)c3cc[nH]c(=O)c23)ccc1Cl |r|
Fc1cc(Nc2nn([C@H]3CC[C@@H](C[C@@H]3C#N)N3CCC3)c3cc[nH]c(=O)c23)ccc1Cl |r|
C[C@H](N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(Cl)c(F)c2)c2c1cc[nH]c2=O)C1CC1 |r|
C[C@H](N[C@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(Cl)c(F)c2)c2c1cc[nH]c2=O)C1CC1 |r|
FC(F)(F)c1ccc(Nc2nn([C@H]3CC[C@H](C[C@@H]3C#N)N3CCC3)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)c1ccc(Nc2nn([C@H]3CC[C@@H](C[C@@H]3C#N)N3CCC3)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)c1ccc(Nc2nn([C@@H]3CC[C@@H](C[C@H]3C#N)N3CCC3)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)c1ccc(Nc2nn([C@@H]3CC[C@H](C[C@H]3C#N)N3CCC3)c3cc[nH]c(=O)c23)cc1 |r|
C[C@H](N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(cc2)C(F)(F)F)c2c1cc[nH]c2=O)C1CC1 |r|
C[C@H](N[C@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(cc2)C(F)(F)F)c2c1cc[nH]c2=O)C1CC1 |r|
C[C@H](N[C@H]1CC[C@H]([C@@H](C1)C#N)n1nc(Nc2ccc(cc2)C(F)(F)F)c2c1cc[nH]c2=O)C1CC1 |r|
C[C@H](N[C@@H]1CC[C@H]([C@@H](C1)C#N)n1nc(Nc2ccc(cc2)C(F)(F)F)c2c1cc[nH]c2=O)C1CC1 |r|
CN(C)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r|
CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r|
Clc1ccc(Nc2nn([C@H]3CC[C@H](C[C@@H]3C#N)N3CCC3)c3cc[nH]c(=O)c23)cc1 |r|
Clc1ccc(Nc2nn([C@H]3CC[C@@H](C[C@@H]3C#N)N3CCC3)c3cc[nH]c(=O)c23)cc1 |r|
OC1CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r|
OC1CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r|
CC1(O)CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r|
CC1(O)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r|
FC(F)(F)Oc1ccc(Nc2nn([C@H]3CC[C@H](C[C@@H]3C#N)N3CCC3)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)Oc1ccc(Nc2nn([C@H]3CC[C@@H](C[C@@H]3C#N)N3CCC3)c3cc[nH]c(=O)c23)cc1 |r|
CN(C)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(OC(F)(F)F)cc2)c2c1cc[nH]c2=O |r|
CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(OC(F)(F)F)cc2)c2c1cc[nH]c2=O |r|
C[C@H](N[C@@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(OC(F)(F)F)cc2)c2c1cc[nH]c2=O)C1CC1 |r|
C[C@H](N[C@H]1CC[C@@H]([C@H](C1)C#N)n1nc(Nc2ccc(OC(F)(F)F)cc2)c2c1cc[nH]c2=O)C1CC1 |r|
NCc1cccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1 |r|
NCc1cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1F |r|
NCc1cc(F)cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1 |r|
CS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1CN |r|
NCc1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
N[C@@H](c1cccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1)C(F)(F)F |r|
N[C@H](c1cccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1)C(F)(F)F |r|
N[C@H](c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
N[C@@H](c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1CN |r|
NC(C(F)F)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
NC(C(F)F)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCCC2)cc1
CN(C)C(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
OC(C(F)F)c1ccc(Nc2nn(C3CCCCC3C#N)c3cc[nH]c(=O)c23)cc1
CC(O)(CO)c1cccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)c1
O=c1[nH]ccc2n(nc(Nc3ccc4CNCc4c3)c12)[C@H]1CCCC[C@@H]1C#N
NC1(CCC1)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC1NCc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12 |r|
OC(=O)C1Cc2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1
CS(=O)(=O)c1ccc(Nc2nn([C@@H]3CCC4(CC4)C[C@H]3C#N)c3cc[nH]c(=O)c23)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CCC4(CC4)C[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CS(=O)(=O)c1ccc(Nc2nn([C@@H]3CCC4(CC4)C[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)-c3ncco3)c12)[C@H]1CCCC[C@@H]1C#N
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)-c3nccs3)c12)C1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)-c3ncon3)c12)C1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)-c3ccon3)c12)C1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)-c3ccno3)c12)C1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)-c3ncno3)c12)C1CCCC[C@@H]1C#N |r|
CC1(C)C(=O)Nc2cc(Nc3nn(C4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)-c3cnco3)c12)C1CCCC[C@@H]1C#N |r|
OC1(COC1)c1ccc(Nc2nn(C3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
Cc1nc2ccc(Nc3nn(C4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2s1 |r|
CC(O)(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC1(COC1)c1ccc(Nc2nn(C3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)-c3cnn(CCC#N)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
CCOC(=O)c1cnn(c1)-c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1C |r|
CC(C)OC(=O)c1ccc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2n1 |r|
O=c1[nH]c(no1)-c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
Cc1cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1-c1cnn(CCC#N)c1 |r|
FC(F)(F)C1(CC1)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O |r|
CC(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)n1nccn1 |r|
CC(C)C(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)n1ccnn1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)C3CCNCC3)c12)[C@H]1CCCC[C@@H]1C#N |r|
CC(=O)N1Cc2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1 |r|
FC(F)C1NCc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12 |r|
CC(C)(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)n1nccn1 |r|
CC(C)C(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)n1nccn1 |r|
Cc1cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1C(C)(C)n1nccn1 |r|
Cc1cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1C(C)(C)n1ccnn1 |r|
O=C1N(Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12)C1CCCCC1 |r|
CC(C)C(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1C)n1nccn1 |r|
CC(C)C(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1C)n1ccnn1 |r|
CC(C)(C)OC(=O)[C@H]1CC[C@](O)(CC1)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r,wU:22.22,7.6,wD:27.29,10.10,(-5.5,-9.21,;-4.16,-8.44,;-2.83,-9.21,;-4.16,-9.98,;-4.16,-6.9,;-2.83,-6.13,;-1.49,-6.9,;-2.83,-4.59,;-4.16,-3.82,;-4.16,-2.28,;-2.83,-1.51,;-4.16,-.74,;-1.49,-2.28,;-1.49,-3.82,;-2.83,.03,;-4.16,.8,;-4.16,2.34,;-2.83,3.11,;-2.83,4.65,;-1.49,5.42,;-.03,4.95,;.88,6.19,;2.42,6.19,;3.19,7.53,;4.73,7.53,;5.5,6.19,;4.73,4.86,;3.19,4.86,;2.42,3.53,;1.65,2.19,;-.03,7.44,;.29,8.95,;-.85,9.98,;-2.32,9.5,;-2.64,7.99,;-4.13,7.6,;-1.49,6.96,;-1.49,2.34,;-1.49,.8,)|
CC(C)(C)OC(=O)[C@H]1CC[C@@](O)(CC1)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r,wU:22.22,10.10,7.6,wD:27.29,(-5.5,-9.21,;-4.16,-8.44,;-2.83,-9.21,;-4.16,-9.98,;-4.16,-6.9,;-2.83,-6.13,;-1.49,-6.9,;-2.83,-4.59,;-4.16,-3.82,;-4.16,-2.28,;-2.83,-1.51,;-4.16,-.74,;-1.49,-2.28,;-1.49,-3.82,;-2.83,.03,;-4.16,.8,;-4.16,2.34,;-2.83,3.11,;-2.83,4.65,;-1.49,5.42,;-.03,4.95,;.88,6.19,;2.42,6.19,;3.19,7.53,;4.73,7.53,;5.5,6.19,;4.73,4.86,;3.19,4.86,;2.42,3.53,;1.65,2.19,;-.03,7.44,;.29,8.95,;-.85,9.98,;-2.32,9.5,;-2.64,7.99,;-4.13,7.6,;-1.49,6.96,;-1.49,2.34,;-1.49,.8,)|
CC(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)n1ccnn1 |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@@H](CC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r,wU:22.22,10.13,7.6,wD:27.29,(7.24,-6.4,;5.91,-7.17,;5.91,-8.71,;7.24,-7.94,;4.57,-6.4,;3.03,-6.4,;2.64,-7.88,;1.95,-5.31,;2.34,-3.82,;1.25,-2.73,;-.23,-3.13,;-.63,-4.62,;.46,-5.71,;-1.32,-2.04,;-1.32,-.5,;-2.79,-.02,;-3.41,1.38,;-4.94,1.54,;-5.34,3.03,;-4.25,4.12,;-2.72,3.96,;-2.1,5.37,;-.61,5.76,;-.21,7.25,;1.28,7.65,;2.37,6.56,;1.97,5.07,;.48,4.68,;.08,3.19,;-.32,1.7,;-3.24,6.4,;-3.24,7.94,;-4.57,8.71,;-5.91,7.94,;-5.91,6.4,;-7.24,5.63,;-4.57,5.63,;-5.85,.3,;-5.22,-1.11,;-3.69,-1.27,;-2.79,-2.52,;-2.79,-4.06,;-4.12,-3.29,)|
O=c1[nH]ccc2n(nc(Nc3ccc4c(CN(C5CCOCC5)S4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
Cc1cc(Nc2nn([C@@H]3CCCCC[C@H]3C#N)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCCC1 |r|
COCC(C)(C)CN1Cc2cc(Nc3nn([C@@H]4CCCCC[C@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
Cc1cc(Nc2nn([C@H]3CCCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCCC1 |r|
CN(C(C)(C)C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CCCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
COCC(C)(C)CN1Cc2cc(Nc3nn([C@H]4CCCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
O=C1N(Cc2cc(Nc3nn([C@H]4CCCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12)C1CCCC1 |r|
CN(C(C)(C)C)S(=O)(=O)c1ccc(Nc2nn([C@@H]3CCCCC[C@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
O=C1N(Cc2cc(Nc3nn([C@@H]4CCCCC[C@H]4C#N)c4cc[nH]c(=O)c34)ccc12)C1CCCC1 |r|
O=C(N1Cc2ccc(Nc3nn([C@@H]4CCCCC[C@H]4C#N)c4cc[nH]c(=O)c34)cc2C1)N1CCCCC1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc4c(CN(C5CCOCC5)S4(=O)=O)c3)c12)[C@H]1CCCCC[C@@H]1C#N |r|
CC(C)C(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)n1cc(nn1)C(C)(C)C |r|
CC(C)C(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)n1cc(nn1)C(=O)OC(C)(C)C |r|
O=C1N(Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12)C1CCOCC1 |r|
O=C1N(Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12)C1CCSCC1 |r|
FC(F)(F)C1(CCCN1)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC1(CCOCC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O |r|
CC1(CCOCC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
OC1c2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S(=O)(=O)C11CCOCC1 |r|
Cc1cc(Nc2nn([C@@H]3CCCCC[C@H]3C#N)c3cc[nH]c(=O)c23)ccc1C(O)C(F)(F)F |r|
FC(F)(F)C1(CCCCN1)c1ccc(Nc2nn([C@H]3CCCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)C1(CCCCN1)c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC1(CCC(F)(F)CC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
FC(F)(F)C1(CCCCN1)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
OC(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1
OC(=O)[C@@H]1CC[C@@H](CC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r,wU:18.18,6.9,3.2,wD:23.25,(5.58,-6.67,;4.09,-7.07,;3.69,-8.56,;3,-5.98,;3.4,-4.49,;2.31,-3.4,;.82,-3.8,;.43,-5.29,;1.51,-6.38,;-.26,-2.71,;-.02,-1.19,;-1.4,-.49,;-1.79,.99,;-3.28,1.39,;-3.68,2.88,;-2.59,3.97,;-1.06,3.81,;-.43,5.22,;1.05,5.61,;1.45,7.1,;2.94,7.5,;4.03,6.41,;3.63,4.92,;2.14,4.53,;1.74,3.04,;1.35,1.55,;-1.58,6.25,;-1.58,7.79,;-2.91,8.56,;-4.25,7.79,;-4.25,6.25,;-5.58,5.48,;-2.91,5.48,;-4.37,.3,;-3.97,-1.18,;-2.48,-1.58,;-1.79,-2.95,;-2.18,-4.44,;-3.27,-3.35,)|
OC(=O)[C@H]1CC[C@@H](CC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r,wU:18.18,6.9,wD:23.25,3.2,(5.58,-6.67,;4.09,-7.07,;3.69,-8.56,;3,-5.98,;3.4,-4.49,;2.31,-3.4,;.82,-3.8,;.43,-5.29,;1.51,-6.38,;-.26,-2.71,;-.02,-1.19,;-1.4,-.49,;-1.79,.99,;-3.28,1.39,;-3.68,2.88,;-2.59,3.97,;-1.06,3.81,;-.43,5.22,;1.05,5.61,;1.45,7.1,;2.94,7.5,;4.03,6.41,;3.63,4.92,;2.14,4.53,;1.74,3.04,;1.35,1.55,;-1.58,6.25,;-1.58,7.79,;-2.91,8.56,;-4.25,7.79,;-4.25,6.25,;-5.58,5.48,;-2.91,5.48,;-4.37,.3,;-3.97,-1.18,;-2.48,-1.58,;-1.79,-2.95,;-2.18,-4.44,;-3.27,-3.35,)|
OC(=O)C1CCC(O)(CC1)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |wU:18.18,wD:23.25,(11.29,5.41,;10.35,6.63,;10.92,8.06,;8.82,6.41,;7.87,7.63,;6.35,7.41,;5.77,5.99,;4.47,6.8,;6.72,4.77,;8.24,4.99,;4.74,4.84,;3.23,5.16,;2.2,4.02,;2.68,2.55,;1.65,1.41,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;-1.92,-2.04,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;4.92,1.78,;3.59,-.53,;4.19,2.23,;5.22,3.38,)|
OC(=O)[C@H]1CC[C@](O)(CC1)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r,wU:18.18,3.2,wD:23.25,6.6,(-4.48,-8.45,;-3.15,-7.68,;-1.82,-8.45,;-3.15,-6.14,;-4.48,-5.37,;-4.48,-3.83,;-3.15,-3.06,;-4.48,-2.29,;-1.82,-3.83,;-1.82,-5.37,;-3.15,-1.52,;-4.48,-.75,;-4.48,.79,;-3.15,1.56,;-3.15,3.1,;-1.82,3.87,;-.28,3.71,;.34,5.11,;1.83,5.51,;2.23,7,;3.72,7.4,;4.8,6.31,;4.41,4.82,;2.92,4.42,;2.52,2.93,;2.12,1.45,;-.8,6.14,;-.8,7.68,;-2.14,8.45,;-3.47,7.68,;-3.47,6.14,;-4.8,5.37,;-2.14,5.37,;-1.82,.79,;-1.82,-.75,)|
CC1N(Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12)C(=O)OC(C)(C)C
CC(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1C |r|
CC(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2[C@H]1C
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)C3CC4CCC(C3)N4)c12)[C@H]1CCCC[C@@H]1C#N
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)[C@@H]3C[C@@H]4CC[C@H](C3)N4)c12)[C@H]1CCCC[C@@H]1C#N |r|
CC1(C)Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
O=c1[nH]ccc2n(nc(Nc3ccc4c(CC5(CCCCC5)S4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
O=c1[nH]ccc2n(nc(Nc3ccc4c(CC5(CCOCC5)S4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CC(F)(F)C[C@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc4c(CC5(CCCCC5)S4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@@H]3CC(F)(F)C[C@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CC(F)(F)C[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
Cc1cc(Nc2nn([C@@H]3CC(F)(F)C[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCCC1 |r|
Cc1cc(Nc2nn([C@H]3CC(F)(F)C[C@H]3C#N)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCCC1 |r|
Cc1cc(Nc2nn([C@@H]3CC(F)(F)C[C@H]3C#N)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCCC1 |r|
Cc1cc(Nc2nn([C@H]3CC(F)(F)C[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCCC1 |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N(C)C |r|
CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CC(C)(O)c1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:11.14,8.7,(8.63,2.85,;7.3,3.62,;7.3,5.16,;8.63,4.39,;5.96,2.85,;4.87,3.94,;3.39,3.54,;2.3,4.63,;.81,4.23,;.41,2.75,;-1.08,2.35,;-2.16,3.44,;-1.77,4.92,;-.28,5.32,;-3.65,3.04,;-4.99,3.81,;-5.76,2.47,;-7.24,2.87,;-7.64,4.36,;-8.04,5.85,;-4.42,1.7,;-6.53,1.14,;-6.05,-.32,;-7.3,-1.23,;-8.54,-.32,;-8.07,1.14,;-7.3,-2.77,;-8.63,-3.54,;-8.63,-5.08,;-7.3,-5.85,;-5.96,-5.08,;-4.5,-5.55,;-3.59,-4.31,;-4.5,-3.06,;-5.96,-3.54,;2.99,2.06,;4.08,.97,;5.56,1.37,;3.68,-.52,;2.19,-.92,;4.77,-1.61,;3.28,-2.01,)|
Cc1cnc(Nc2ccc(OCCOc3ccc(/N=N/c4ccc(C(=O)NCCC(=O)O)cc4)cc3C(=O)O)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
Cc1cnc(Nc2ccc(OCCO)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCOC1 |r|
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:1.1,15.17,wD:18.21,(-4.39,.49,;-2.85,.49,;-2.08,1.83,;-2.08,-.84,;-2.71,-2.25,;-1.56,-3.28,;-1.56,-4.82,;-.23,-5.59,;1.1,-4.82,;2.57,-5.29,;3.47,-4.05,;2.57,-2.8,;1.1,-3.28,;-.23,-2.51,;-.55,-1,;.22,.33,;-.87,1.42,;-.47,2.91,;1.02,3.31,;1.42,4.79,;2.9,5.19,;4.39,5.59,;2.11,2.22,;1.71,.73,)|
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C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCCC#N)C1 |r|
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCCCC#N)C1 |r|
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@H](N)C1 |r|
CC(N)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|
CC(NC(C)=O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|
CNC(C)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|
CC(F)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|
OCC1(CCC(CC#N)CC1)n1cnc2cnc3ccsc3c12 |(-3.03,3.99,;-3.03,2.45,;-1.7,1.68,;-.61,.59,;.88,.99,;1.28,2.48,;2.77,2.88,;3.86,1.79,;4.94,.7,;.19,3.57,;-1.3,3.17,;-2.79,.59,;-4.32,.75,;-4.94,-.65,;-3.8,-1.68,;-3.8,-3.22,;-2.46,-3.99,;-1.13,-3.22,;.33,-3.7,;1.24,-2.45,;.33,-1.21,;-1.13,-1.68,;-2.46,-.91,)|
N#CC[C@H]1CC[C@@H](CO1)n1c(CC#N)nc2cnc3ccsc3c12 |r|
N#CC[C@@H]1CC[C@@H](CO1)n1c(CC#N)nc2cnc3ccsc3c12 |r|
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNS(C)(=O)=O)OC1 |r|
CC(C)OC(=O)NC[C@H]1CC[C@@H](CO1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r|
CC(=N)C(\[C@H]1CC[C@H](CC#N)CC1)=C1/NC=Nc2ccsc12 |r,wU:4.3,wD:7.7,c:16,(-4.82,1.61,;-4.05,.28,;-4.67,-1.13,;-2.51,.12,;-1.43,1.2,;-1.82,2.69,;-.74,3.78,;.75,3.38,;1.84,4.47,;3.33,4.07,;4.82,3.67,;1.15,1.89,;.06,.81,;-2.19,-1.39,;-3.53,-2.16,;-3.53,-3.7,;-2.19,-4.47,;-.86,-3.7,;.6,-4.18,;1.51,-2.93,;.6,-1.69,;-.86,-2.16,)|
COC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r,wU:9.12,24.29,wD:6.5,(5.33,6.1,;4.24,5.02,;4.64,3.53,;6.13,3.13,;3.55,2.44,;2.07,2.84,;.98,1.75,;-.51,2.15,;-1.6,1.06,;-1.2,-.43,;.29,-.83,;1.38,.26,;-2.29,-1.52,;-3.82,-1.36,;-4.45,-2.76,;-3.3,-3.79,;-3.3,-5.33,;-1.97,-6.1,;-.64,-5.33,;.83,-5.81,;1.73,-4.56,;.83,-3.32,;-.64,-3.79,;-1.97,-3.02,;-4.59,-.02,;-6.13,-.02,;-3.82,1.31,)|
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNC(C)=O)CC1 |r,wU:15.17,1.1,wD:18.21,(-6.13,.52,;-4.59,.52,;-3.82,1.85,;-3.82,-.81,;-4.45,-2.22,;-3.3,-3.25,;-3.3,-4.79,;-1.97,-5.56,;-.64,-4.79,;.83,-5.27,;1.73,-4.02,;.83,-2.77,;-.64,-3.25,;-1.97,-2.48,;-2.29,-.97,;-1.2,.12,;-1.6,1.6,;-.51,2.69,;.98,2.29,;2.07,3.38,;3.55,2.98,;4.64,4.07,;4.24,5.56,;6.13,3.67,;1.38,.81,;.29,-.28,)|
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNS(C)(=O)=O)CC1 |r,wU:15.17,1.1,wD:18.21,(-5.93,.72,;-4.39,.72,;-3.62,2.05,;-3.62,-.61,;-4.25,-2.02,;-3.1,-3.05,;-3.1,-4.59,;-1.77,-5.36,;-.44,-4.59,;1.03,-5.07,;1.93,-3.82,;1.03,-2.57,;-.44,-3.05,;-1.77,-2.28,;-2.09,-.77,;-1,.31,;-1.4,1.8,;-.31,2.89,;1.18,2.49,;2.27,3.58,;3.75,3.18,;4.84,4.27,;3.75,5.36,;5.93,3.18,;5.93,5.36,;1.58,1.01,;.49,-.08,)|
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNC(=O)N(C)C)CC1 |r,wU:15.17,1.1,wD:18.21,(-6.13,-.02,;-4.59,-.02,;-3.82,1.31,;-3.82,-1.36,;-4.45,-2.76,;-3.3,-3.79,;-3.3,-5.33,;-1.97,-6.1,;-.64,-5.33,;.83,-5.81,;1.73,-4.56,;.83,-3.32,;-.64,-3.79,;-1.97,-3.02,;-2.29,-1.52,;-1.2,-.43,;-1.6,1.06,;-.51,2.15,;.98,1.75,;2.07,2.84,;3.55,2.44,;4.64,3.53,;6.13,3.13,;4.24,5.02,;5.33,6.1,;2.76,5.41,;1.38,.26,;.29,-.83,)|
CCOC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r,wU:10.13,25.30,wD:7.6,(4.93,6.85,;5.33,5.36,;4.24,4.27,;4.64,2.78,;6.13,2.39,;3.55,1.7,;2.07,2.09,;.98,1.01,;-.51,1.4,;-1.6,.31,;-1.2,-1.17,;.29,-1.57,;1.38,-.48,;-2.29,-2.26,;-3.82,-2.1,;-4.45,-3.51,;-3.3,-4.54,;-3.3,-6.08,;-1.97,-6.85,;-.64,-6.08,;.83,-6.55,;1.73,-5.31,;.83,-4.06,;-.64,-4.54,;-1.97,-3.77,;-4.59,-.77,;-6.13,-.77,;-3.82,.57,)|
CCCOC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r,wU:11.14,26.31,wD:8.7,(7.96,5.45,;6.87,4.36,;5.39,4.76,;4.3,3.67,;2.81,4.07,;2.41,5.56,;1.72,2.98,;.23,3.38,;-.85,2.29,;-2.34,2.69,;-3.43,1.6,;-3.03,.12,;-1.55,-.28,;-.46,.81,;-4.12,-.97,;-5.65,-.81,;-6.28,-2.22,;-5.14,-3.25,;-5.14,-4.79,;-3.8,-5.56,;-2.47,-4.79,;-1,-5.27,;-.1,-4.02,;-1,-2.77,;-2.47,-3.25,;-3.8,-2.48,;-6.42,.52,;-7.96,.52,;-5.65,1.85,)|
CC(C)OC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r,wU:11.14,26.31,wD:8.7,(4.59,6.85,;4.99,5.36,;6.48,4.96,;3.9,4.27,;4.3,2.78,;5.79,2.39,;3.21,1.7,;1.72,2.09,;.63,1.01,;-.85,1.4,;-1.94,.31,;-1.55,-1.17,;-.06,-1.57,;1.03,-.48,;-2.63,-2.26,;-4.17,-2.1,;-4.79,-3.51,;-3.65,-4.54,;-3.65,-6.08,;-2.31,-6.85,;-.98,-6.08,;.48,-6.55,;1.39,-5.31,;.48,-4.06,;-.98,-4.54,;-2.31,-3.77,;-4.94,-.77,;-6.48,-.77,;-4.17,.57,)|
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNC(=O)OC2CCOC2)CC1 |r,wU:15.17,1.1,wD:18.21,(-6.92,-1.03,;-5.38,-1.03,;-4.61,.3,;-4.61,-2.37,;-5.23,-3.77,;-4.09,-4.8,;-4.09,-6.34,;-2.76,-7.11,;-1.42,-6.34,;.04,-6.82,;.95,-5.57,;.04,-4.33,;-1.42,-4.8,;-2.76,-4.03,;-3.08,-2.53,;-1.99,-1.44,;-2.39,.05,;-1.3,1.14,;.19,.74,;1.28,1.83,;2.77,1.43,;3.86,2.52,;5.34,2.12,;3.46,4.01,;4.55,5.1,;4.55,6.64,;6.01,7.11,;6.92,5.87,;6.01,4.62,;.59,-.75,;-.5,-1.84,)|
COC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12 |r,wU:9.12,wD:6.5,(4.56,6.1,;3.47,5.02,;3.87,3.53,;5.36,3.13,;2.78,2.44,;1.3,2.84,;.21,1.75,;-1.28,2.15,;-2.37,1.06,;-1.97,-.43,;-.48,-.83,;.61,.26,;-3.06,-1.52,;-4.59,-1.36,;-5.36,-.02,;-4.59,1.31,;-3.82,2.64,;-5.22,-2.76,;-4.07,-3.79,;-4.07,-5.33,;-2.74,-6.1,;-1.41,-5.33,;.06,-5.81,;.96,-4.56,;.06,-3.32,;-1.41,-3.79,;-2.74,-3.02,)|
CCOC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12 |r,wU:10.13,wD:7.6,(6.65,4.36,;5.16,4.76,;4.07,3.67,;2.58,4.07,;2.19,5.56,;1.5,2.98,;.01,3.38,;-1.08,2.29,;-2.57,2.69,;-3.66,1.6,;-3.26,.12,;-1.77,-.28,;-.68,.81,;-4.35,-.97,;-5.88,-.81,;-6.65,.52,;-5.88,1.85,;-5.11,3.19,;-6.51,-2.22,;-5.36,-3.25,;-5.36,-4.79,;-4.03,-5.56,;-2.69,-4.79,;-1.23,-5.27,;-.32,-4.02,;-1.23,-2.77,;-2.69,-3.25,;-4.03,-2.48,)|
CC(C)OC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12 |r,wU:11.14,wD:8.7,(3.82,6.85,;4.22,5.36,;5.71,4.96,;3.13,4.27,;3.53,2.78,;5.02,2.39,;2.44,1.7,;.95,2.09,;-.14,1.01,;-1.62,1.4,;-2.71,.31,;-2.32,-1.17,;-.83,-1.57,;.26,-.48,;-3.4,-2.26,;-4.94,-2.1,;-5.71,-.77,;-4.94,.57,;-4.17,1.9,;-5.56,-3.51,;-4.42,-4.54,;-4.42,-6.08,;-3.08,-6.85,;-1.75,-6.08,;-.29,-6.55,;.62,-5.31,;-.29,-4.06,;-1.75,-4.54,;-3.08,-3.77,)|
CCC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12 |r,wU:9.12,wD:6.5,(4.56,6.1,;3.47,5.02,;3.87,3.53,;5.36,3.13,;2.78,2.44,;1.3,2.84,;.21,1.75,;-1.28,2.15,;-2.37,1.06,;-1.97,-.43,;-.48,-.83,;.61,.26,;-3.06,-1.52,;-4.59,-1.36,;-5.36,-.02,;-4.59,1.31,;-3.82,2.64,;-5.22,-2.76,;-4.07,-3.79,;-4.07,-5.33,;-2.74,-6.1,;-1.41,-5.33,;.06,-5.81,;.96,-4.56,;.06,-3.32,;-1.41,-3.79,;-2.74,-3.02,)|
N#CC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12 |r,wU:6.9,wD:3.2,(2.53,5.96,;2.93,4.47,;3.33,2.98,;2.24,1.89,;.75,2.29,;-.34,1.2,;.06,-.28,;1.55,-.68,;2.64,.41,;-1.03,-1.37,;-2.56,-1.21,;-3.33,.12,;-2.56,1.46,;-1.79,2.79,;-3.19,-2.62,;-2.04,-3.65,;-2.04,-5.19,;-.71,-5.96,;.63,-5.19,;2.09,-5.66,;3,-4.42,;2.09,-3.17,;.63,-3.65,;-.71,-2.88,)|
OCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|
CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC[C@@H](C1)N(C)C |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CCO)C[C@H]1C |r|
CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(NCc2[nH]1)C(=O)N1CCN(CC1)C(C)C
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CC1)C(C)C |r|
CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C |r|
CCCN1Cc2[nH]c(nc2C[C@H]1CN1CC[C@@H](C1)C(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCN(CC)CCN(C)C(=O)[C@H]1Cc2nc([nH]c2CN1CC)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3ccccc3)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2ccc(cc2)N2CCOCC2)cc1NC1CCC1
CC(=O)Nc1cccc(Nc2cc(NC3CCC3)c(nn2)C(N)=O)c1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NC3CCCCC3)c(nn2)C(N)=O)cc1
CC(C)Nc1cc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)nnc1C(N)=O
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NC3CCCC3)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2ccc(cc2)N2CCNCC2)cc1NC1CCCCC1
CC(C)Nc1cc(Nc2ccc(cc2)N2CCNCC2)nnc1C(N)=O
NC(=O)c1nnc(Nc2ccc(cc2)N2CCNCC2)cc1NC1CCCC1
CC(C)CNc1cc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)nnc1C(N)=O
CC(C)CNc1cc(Nc2ccc(cc2)N2CCNCC2)nnc1C(N)=O
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCC3CCC3)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2ccc(cc2)N2CCNCC2)cc1NCC1CCC1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3ccccc3F)c(nn2)C(N)=O)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cc(F)cc(F)c3)c(nn2)C(N)=O)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccs3)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2ccc(cc2)N2CCNCC2)cc1NCc1cccs1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3ccccc3C)c(nn2)C(N)=O)cc1
COc1ccccc1CNc1cc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)nnc1C(N)=O
CCC(=O)N1CCC(CC1)c1ccc(Nc2cc(NCc3ccccc3F)c(nn2)C(N)=O)cc1
CCC(=O)N1CCC(CC1)c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1
CCC(=O)N1CCC(CC1)c1ccc(Nc2cc(NCc3cc(F)cc(F)c3)c(nn2)C(N)=O)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3ccccc3F)c(nn2)C(N)=O)nc1
CCC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3ccccc3F)c(nn2)C(N)=O)cc1
CCC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1
CCC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cc(F)cc(F)c3)c(nn2)C(N)=O)cc1
CCC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cc(F)ccc3F)c(nn2)C(N)=O)cc1
CCC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3c(F)cccc3F)c(nn2)C(N)=O)cc1
CCC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(F)c3F)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2ccc(cc2)N2CCOCC2)cc1NCc1cccc(F)c1
NC(=O)c1nnc(Nc2ccc(cc2)N2CCOCC2)cc1NCc1cc(F)cc(F)c1
NC(=O)c1nnc(Nc2ccc(cc2)N2CCOCC2)cc1NCc1cc(F)ccc1F
NC(=O)c1nnc(Nc2ccc(cc2)N2CCOCC2)cc1NCc1cccc(F)c1F
NC(=O)c1nnc(Nc2ccc(cc2)N2CCOCC2)cc1NCc1c(F)cccc1F
Cc1cc(Nc2cc(NCc3cccc(F)c3F)c(nn2)C(N)=O)ccc1N1CCOCC1
NC(=O)c1nnc(Nc2cc(F)c(N3CCOCC3)c(F)c2)cc1NCc1cccc(F)c1F
Cc1cc(Nc2cc(NCc3cccc(F)c3F)c(nn2)C(N)=O)ccc1C(=O)N1CCCC1
NC(=O)c1nnc(Nc2ccc(N3CCOCC3)c(F)c2)cc1NCc1cccc(F)c1F
CN(C(=O)C1CC1)c1ccc(Nc2cc(NCc3cccc(F)c3F)c(nn2)C(N)=O)cc1
COC(=O)N(C)c1ccc(Nc2cc(NCc3cccc(F)c3F)c(nn2)C(N)=O)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(Cl)c3)c(nn2)C(N)=O)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(C)c3)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2cccc(CN3CCOCC3)c2)cc1NCc1cccc(F)c1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cn1
NC(=O)c1nnc(Nc2ccc(nc2)N2CCNCC2)cc1NCc1cccc(F)c1
NC(=O)c1nnc(Nc2ccc(OCCN3CCCC3)cc2)cc1NCc1cccc(F)c1
NC(=O)c1nnc(Nc2ccc(cc2)C(=O)N2CCCC2)cc1NCc1cccc(F)c1
COc1cc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)ccc1C(=O)N1CCCC1
Cc1cc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)ccc1N1CCOCC1
NC(=O)c1nnc(Nc2ccc(C(=O)N3CCCC3)c(Cl)c2)cc1NCc1cccc(F)c1
NC(=O)c1nnc(Nc2cccc(OCCN3CCCC3)c2)cc1NCc1cccc(F)c1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NC3(CC3)c3ccccc3)c(nn2)C(N)=O)cc1
COc1cccc(CNc2cc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nnc2C(N)=O)c1
CN(C)C(=O)c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1
CN(C)C(=O)c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1C
Cc1cc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)ccc1C(=O)N1CCCC1
NC(=O)c1nnc(Nc2cccc(n2)N2CCOCC2)cc1NCc1cccc(F)c1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCC3CCNCC3)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2ccc(cn2)N2CCOCC2)cc1NCc1cccc(F)c1
CC(=O)Nc1cccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)c1
Cn1cc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cn1
Cn1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)n1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(c3)-n3ccnc3)c(nn2)C(N)=O)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(c3)-c3ccncc3)c(nn2)C(N)=O)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(c3)-c3cccnc3)c(nn2)C(N)=O)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(c3)-c3ccccn3)c(nn2)C(N)=O)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(c3)C#N)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2ccc(cn2)C(=O)N2CCCC2)cc1NCc1cccc(F)c1
CC(C)[C@H](Nc1cc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)nnc1C(N)=O)C(F)(F)F |r|
CC(C)[C@@H](C)Nc1cc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)nnc1C(N)=O |r|
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3ccc(Cl)s3)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2ncc(s2)C(=O)N2CCOCC2)cc1NCc1cccc(F)c1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3ccccn3)c(nn2)C(N)=O)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccnc3)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2ccc(cc2)C(=O)N2CCOCC2)cc1NCc1cccc(F)c1
CC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2ccc(cc2)C(=O)N2CCCC2)cc1NCc1cc(F)cc(F)c1
NC(=O)c1nnc(Nc2ccc(cc2)C(=O)N2CCCC2)cc1NCc1cccc(F)c1F
CS(=O)(=O)c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1
CS(=O)(=O)Cc1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1
CN(C)C(=O)C1CCN(CC1)c1ccc(Nc2cc(NCc3ccccc3F)c(nn2)C(N)=O)cc1
CS(=O)(=O)Cc1ccc(Nc2cc(NCc3c(F)cccc3F)c(nn2)C(N)=O)cc1
CS(=O)(=O)Cc1ccc(Nc2cc(NCc3cc(F)ccc3F)c(nn2)C(N)=O)cc1
CS(=O)(=O)Cc1ccc(Nc2cc(NCc3cccc(F)c3F)c(nn2)C(N)=O)cc1
CN(C)C(=O)C1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1
CS(=O)(=O)Cc1cccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)c1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(nn2)C(N)=O)cc1
CS(=O)(=O)Cc1ccc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2ccc(cc2)N2CCS(=O)(=O)CC2)cc1NCc1cccc(F)c1
CC(C)(c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1)S(C)(=O)=O
CC(c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1)S(C)(=O)=O
NC(=O)c1nnc(Nc2cnccn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc4ccsc34)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2ccc(cc2)N2CCNCC2)cc1NCc1cccc2ccsc12
CS(=O)(=O)Cc1ccc(Nc2cc(NCc3cccc4ccsc34)c(nn2)C(N)=O)cc1
CN(C(C)=O)c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1
CN(c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1)S(C)(=O)=O
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cc(ccc3F)-n3ccnc3)c(nn2)C(N)=O)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cc(ccc3F)-c3cccnc3)c(nn2)C(N)=O)cc1
CS(=O)Cc1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1
CC(C)n1cc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cn1
NC(=O)c1nnc(Nc2ccc3CS(=O)(=O)Cc3c2)cc1NCc1cccc(F)c1
CS(=O)(=O)CCc1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc4[nH]ccc34)c(nn2)C(N)=O)cc1
CCC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc4[nH]ccc34)c(nn2)C(N)=O)cc1
NC(=O)c1nnc(Nc2cnccn2)cc1NCc1cccc(c1)-n1ccnc1
CC(C)n1cc(Nc2cc(NCc3cccc4ccsc34)c(nn2)C(N)=O)cn1
CC(C)n1cc(Nc2cc(NCc3c(F)cccc3F)c(nn2)C(N)=O)cn1
CC(C)n1cc(Nc2cc(NCc3cccc(F)c3F)c(nn2)C(N)=O)cn1
NC(=O)c1nnc(Nc2cnn(c2)C2CCCC2)cc1NCc1cccc2ccsc12
NC(=O)c1nnc(Nc2cnn(c2)C2CCCC2)cc1NCc1cccc(F)c1F
NC(=O)c1nnc(Nc2cnn(CC3CC3)c2)cc1NCc1cccc2ccsc12
NC(=O)c1nnc(Nc2cnn(CC3CC3)c2)cc1NCc1cccc(F)c1F
NC(=O)c1nnc(Nc2cnn(CC3CC3)c2)cc1NCc1cccc(F)c1
CCn1cc(Nc2cc(NCc3cccc(F)c3F)c(nn2)C(N)=O)cn1
NC(=O)c1nnc(Nc2cnn(CC3CCOCC3)c2)cc1NCc1cccc2ccsc12
CCn1cc(Nc2cc(NCc3cccc4ccsc34)c(nn2)C(N)=O)cn1
CCn1cc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cn1
NC(=O)c1nnc(Nc2cnn(CC3CCOCC3)c2)cc1NCc1cccc(F)c1F
CC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc5ccsc45)c(nn3)C(N)=O)cn2)CC1
CC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc(F)c4F)c(nn3)C(N)=O)cn2)CC1
CC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc(F)c4)c(nn3)C(N)=O)cn2)CC1
CCC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc5ccsc45)c(nn3)C(N)=O)cn2)CC1
CCC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc(F)c4F)c(nn3)C(N)=O)cn2)CC1
CCC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc(F)c4)c(nn3)C(N)=O)cn2)CC1
CN(C)C(=O)Cn1cc(Nc2cc(NCc3cccc4ccsc34)c(nn2)C(N)=O)cn1
CS(=O)(=O)Cc1ccc(Nc2cc(NCc3cccc(c3)-c3ccncc3)c(nn2)C(N)=O)cc1
CN(C)C(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc(F)c4F)c(nn3)C(N)=O)cn2)CC1
COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCNC(=O)CC2[C@H]3CC4C[C@@H](C[C@@H]2C4)C3)CC1 |r,wU:46.50,40.43,44.46,THB:41:42:45:39.40.48,43:42:39:44.45.48,(-2,-2.7,;-2,-1.16,;-.67,-.39,;.67,-1.16,;2,-.39,;2,1.15,;.67,1.92,;-.67,1.15,;-2,1.92,;-3.33,1.15,;-3.33,-.39,;-4.67,-1.16,;-6,-.39,;-7.34,-1.15,;-6,1.15,;-7.34,1.92,;-8.67,1.15,;-10,1.92,;-10,3.46,;-11.34,4.23,;-12.67,3.46,;-12.67,1.92,;-14,1.15,;-15.34,1.92,;-15.34,3.46,;-16.67,1.15,;-18,1.92,;-11.34,1.15,;-4.67,1.93,;3.33,-1.16,;3.33,-2.7,;4.67,-3.47,;6,-2.7,;7.34,-3.47,;8.67,-2.7,;10,-3.47,;11.34,-2.7,;11.34,-1.16,;12.67,-3.47,;14,-2.7,;14,-1.16,;15.34,-.39,;16.67,-1.16,;18,-1.93,;18,-3.47,;16.67,-4.23,;15.34,-3.46,;16.67,-2.7,;16.23,-1.83,;6,-1.16,;4.67,-.39,)|
COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCCNC(=O)CC2[C@H]3C[C@@H]4C[C@H](C[C@@H]2C4)C3)CC1 |r,wD:41.54,45.53,47.49,43.46,THB:46:45:40.47.48:42,44:45:40:48.43.42,(2.67,-1.92,;2.67,-.38,;1.33,.39,;,-.38,;-1.33,.39,;-1.33,1.93,;,2.7,;1.33,1.93,;2.67,2.7,;4,1.93,;4,.39,;5.33,-.38,;6.67,.39,;8,-.38,;6.67,1.93,;8,2.7,;9.34,1.93,;10.67,2.7,;10.67,4.24,;12,5.01,;13.34,4.24,;13.34,2.7,;14.67,1.93,;16,2.7,;16,4.24,;17.34,1.93,;18.67,2.7,;12,1.93,;5.33,2.7,;-2.67,-.38,;-2.67,-1.92,;-4,-2.69,;-5.33,-1.92,;-6.67,-2.69,;-8,-1.92,;-9.34,-2.69,;-10.67,-1.92,;-12,-2.69,;-12,-4.23,;-13.34,-1.92,;-14.67,-2.69,;-14.67,-4.23,;-16.4,-3.74,;-18.67,-1.92,;-18.67,-3.46,;-17.34,-4.23,;-17.34,-2.69,;-16,-1.92,;-17.34,-1.15,;-16,-5.01,;-5.33,-.38,;-4,.39,)|
Clc1cnc(Nc2ccc(cc2)N2CCN(CCCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1 |r,wD:30.32,26.33,24.25,28.28,THB:25:26:23.24.32:29,27:26:23:32.28.29,(-8,-.38,;-6.67,.39,;-5.33,-.38,;-4,.39,;-4,1.93,;-2.67,2.7,;-1.33,1.93,;-1.33,.39,;,-.38,;1.33,.39,;1.33,1.93,;,2.7,;2.67,-.38,;2.67,-1.92,;4,-2.69,;5.33,-1.92,;6.67,-2.69,;8,-1.92,;9.34,-2.69,;10.67,-1.92,;12,-2.69,;12,-4.23,;13.34,-1.92,;14.67,-2.69,;16,-1.92,;17.34,-2.69,;17.34,-4.23,;18.67,-3.46,;18.67,-1.92,;16.4,-3.74,;14.67,-4.23,;16,-5.01,;17.34,-1.15,;5.33,-.38,;4,.39,;-5.33,2.7,;-6.67,1.93,;-8,2.7,;-9.34,1.93,;-10.67,2.7,;-10.67,4.24,;-12,5.01,;-13.34,4.24,;-13.34,2.7,;-14.67,1.93,;-16,2.7,;-16,4.24,;-17.34,1.93,;-18.67,2.7,;-12,1.93,)|
Clc1cnc(Nc2ccc(cc2)N2CCN(CCCCNC(=O)CC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1 |r,wU:25.36,29.35,31.31,27.28,THB:30:29:26:24.31.32,28:29:24:27.26.32,(-8.67,-1.15,;-7.34,-.38,;-6,-1.15,;-4.67,-.38,;-4.67,1.15,;-3.33,1.93,;-2,1.15,;-2,-.38,;-.67,-1.15,;.67,-.38,;.67,1.15,;-.67,1.93,;2,-1.15,;2,-2.69,;3.33,-3.47,;4.67,-2.69,;6,-3.47,;7.34,-2.7,;8.67,-3.47,;10,-2.7,;11.34,-3.47,;12.67,-2.7,;12.67,-1.16,;14,-3.47,;15.34,-2.7,;16.67,-3.47,;18,-4.23,;19.34,-3.47,;19.34,-1.93,;18,-1.16,;16.67,-.39,;15.34,-1.16,;17.56,-1.83,;18,-2.7,;4.67,-1.15,;3.33,-.38,;-6,1.93,;-7.34,1.15,;-8.67,1.93,;-10,1.15,;-11.34,1.93,;-11.34,3.47,;-12.67,4.23,;-14,3.47,;-14,1.93,;-15.34,1.15,;-16.67,1.93,;-16.67,3.47,;-18,1.15,;-19.34,1.93,;-12.67,1.15,)|
Clc1cnc(Nc2cnn(CCN3CCN(CC3)C(=O)CC3C4C[C@@H]5CC(C4)C[C@H]3C5)c2)nc1NCc1cccc(NC(=O)C=C)c1 |r,wU:29.30,24.25,TLB:27:26:21.22.23:30,THB:25:26:21:23.24.30,(5.44,-3.59,;4.67,-2.25,;3.13,-2.25,;2.36,-.92,;3.13,.41,;2.36,1.75,;.82,1.75,;-.09,2.99,;-1.55,2.52,;-1.55,.98,;-2.88,.21,;-4.22,.98,;-5.55,.21,;-5.55,-1.33,;-6.88,-2.1,;-8.22,-1.33,;-8.22,.21,;-6.88,.98,;-9.55,-2.1,;-9.55,-3.64,;-10.89,-1.33,;-12.22,-2.1,;-13.55,-1.33,;-14.89,-.56,;-16.22,-1.33,;-16.22,-2.87,;-14.89,-3.64,;-14.89,-2.1,;-13.55,-4.41,;-12.22,-3.64,;-13.95,-3.15,;-.09,.5,;4.67,.41,;5.44,-.92,;6.98,-.92,;7.75,.41,;9.29,.41,;10.06,-.92,;11.6,-.92,;12.37,.41,;11.6,1.75,;12.37,3.08,;13.91,3.08,;14.68,1.75,;14.68,4.41,;16.22,4.41,;10.06,1.75,)|
Clc1cnc(Nc2cnn(c2)C2CCN(CC2)C(=O)CC2[C@H]3CC4C[C@@H](C[C@H]2C4)C3)nc1NCc1cccc(NC(=O)C=C)c1 |r,wD:27.30,21.23,25.26,THB:22:23:20.21.29:26,24:23:20:29.25.26,(4.11,-3.59,;3.34,-2.25,;1.8,-2.25,;1.03,-.92,;1.8,.41,;1.03,1.75,;-.51,1.75,;-1.42,2.99,;-2.88,2.52,;-2.88,.98,;-1.42,.5,;-4.22,.21,;-4.22,-1.33,;-5.55,-2.1,;-6.88,-1.33,;-6.88,.21,;-5.55,.98,;-8.22,-2.1,;-8.22,-3.64,;-9.55,-1.33,;-10.89,-2.1,;-12.22,-1.33,;-13.55,-2.1,;-13.55,-3.64,;-14.89,-2.87,;-14.89,-1.33,;-12.61,-3.15,;-10.89,-3.64,;-12.22,-4.41,;-13.55,-.56,;3.34,.41,;4.11,-.92,;5.65,-.92,;6.42,.41,;7.96,.41,;8.73,-.92,;10.27,-.92,;11.04,.41,;10.27,1.75,;11.04,3.08,;12.58,3.08,;13.35,1.75,;13.35,4.41,;14.89,4.41,;8.73,1.75,)|
Clc1cnc(Nc2cnn(c2)C2CCN(CCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1 |r,wU:22.33,26.32,28.28,24.25,THB:23:24:27:22.30.21,21:28:25:22.30.23,(-6.11,4,;-5.34,2.67,;-3.8,2.67,;-3.03,1.33,;-3.8,,;-3.03,-1.33,;-1.49,-1.33,;-.58,-2.58,;.88,-2.1,;.88,-.56,;-.58,-.09,;2.22,.21,;3.55,-.56,;4.88,.21,;4.88,1.75,;6.22,2.52,;7.55,1.75,;8.88,2.52,;10.22,1.75,;10.22,.21,;11.55,2.52,;12.89,1.75,;12.89,.21,;14.61,.7,;16.89,2.52,;16.89,.98,;15.55,.21,;15.55,1.75,;14.22,2.52,;15.55,3.29,;14.22,-.56,;3.55,2.52,;2.22,1.75,;-5.34,,;-6.11,1.33,;-7.65,1.33,;-8.42,,;-9.96,,;-10.73,1.33,;-12.27,1.33,;-13.04,,;-12.27,-1.33,;-13.04,-2.67,;-14.58,-2.67,;-15.35,-1.33,;-15.35,-4,;-16.89,-4,;-10.73,-1.33,)|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(C)(CC2)c2ccccc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)C2CCCCC2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)CC2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(=CC2)c2ccccc2)cc1 |c:31|
COC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12)c1ccccc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(C)(O)CC2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCCC(O)(CC2)c2ccccc2)cc1
COC1CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12
CN(C1CCN(C)CC1)C(=O)c1ccc(NC(=N)\N=c2/[nH]cccc2N2CCC(CC2)NC(C)=O)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(NC(=N)\N=c2/[nH]cccc2N2CCN(CC2)C(C)=O)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(NC(=N)\N=c2/[nH]cccc2N2CCC(CC2)C#N)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(NC(=N)\N=c2/[nH]cccc2N2CCCCC2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2cn3cccc(N4CCN(CC4)c4ccccc4)c3n2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC=C(CC2)c2ccccc2)cc1 |c:31|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCCC(=CC2)c2ccccc2)cc1 |c:32|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(F)(CC2)c2ccccc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Cc2nc3c(cccn3n2)N2CCC(O)C(C2)c2ccc(Cl)cc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2cccc(Cl)c2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccccc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccncc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(cc2)C#N)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2cccc(c2)C#N)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CC2)OCC#N)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC3(CNC(=O)O3)C2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCN3CCOC[C@@H]3C2)cc1 |r|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC3(CNC(=O)C3)C2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC3(CNC(=O)C3)CC2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC3(CNC(=O)O3)CC2)cc1
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CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCN3[C@H](COCC3=O)C2)cc1 |r|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCN3[C@@H](COCC3=O)C2)cc1 |r|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCN(CC2)C(=O)N2CC(C)(C)C2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccccc2Cl)cc1
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CN1CC2CN(CC2C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
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CN1C2COCC1CN(C2)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1 |THB:0:1:4.3.5:7.8.9|
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CN1CCCC2(CCCN(C2)C(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc2)C1
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OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC3c3cccnc3)nc12)c1ccc(Cl)cc1
CN1CCN(CC(CO)C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN1CCOC2(CN(C2)C(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc2)C1
CN(C)C(=O)C1CN(CCN1C)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
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CN(C)c1cc(nc(C)n1)C1CCCN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN(C)C(=O)C1(CCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1)c1ccncc1
CN1CC[C@H]2CN(C[C@@H]12)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1 |r|
CN1C[C@@H]2CCN([C@@H]2C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1 |r|
CN(C)CC1(O)CCCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN1CCN(CC1)C(=O)C1COCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN(C)c1cc(C)nc(c1)C1CCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN(C)CCC1CCCN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN1CCC2(CN(C2)C(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc2)CC1
CN(C)C(=O)C1CN(C)CCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
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CN(CCc1ccccn1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN(C1CCN(C)C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN(C)C1CCN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N[C@H]3CN4CCC3CC4)nc12)c1ccc(Cl)cc1 |r,wD:24.25,THB:23:24:27.28:30.31,(3.91,3.01,;4.68,1.67,;3.35,.9,;3.35,-.64,;4.68,-1.41,;6.01,-.64,;6.01,.9,;4.68,-2.95,;6.01,-3.72,;6.01,-5.26,;4.68,-6.03,;3.35,-5.26,;1.88,-5.73,;.98,-4.49,;-.56,-4.49,;-1.33,-3.15,;-.56,-1.82,;-1.33,-.49,;-2.87,-.49,;-3.64,-1.82,;-2.87,-3.15,;-3.64,.85,;-2.87,2.18,;-5.18,.85,;-5.95,2.18,;-5.18,3.51,;-6.72,3.51,;-7.49,4.85,;-8.26,3.51,;-7.49,2.18,;-8.26,.85,;-9.03,2.18,;1.88,-3.24,;3.35,-3.72,;5.77,2.76,;7.26,2.36,;8.34,3.45,;7.95,4.94,;9.03,6.03,;6.46,5.34,;5.37,4.25,)|
CN1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CC1CN(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc2)CC(C)O1
CN1CC(C1)NC(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
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CN1CCN(CCCNC(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc2)CC1
CN1CCN(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc2)CC1
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CN1CCCCC1CNC(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
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CNC(=O)C1CN(CCN1Cc1ccccc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN1CCC(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc2)CC1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4cccnc4)C3)nc12)c1ccc(Cl)cc1
Cc1ccc(CC2CCN(C2)C(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc2)nc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4ccccn4)C3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4ccccn4)CC3)nc12)c1ccc(Cl)cc1
Cc1cccc(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc2)n1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCc3cccnc3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCc3ccncc3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCc3ccccn3)nc12)c1ccc(Cl)cc1
CNC(=O)C1CN(CCN1C)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN(C)C(=O)C1CN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN1CCN(CC1)C(=O)C1CN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1 |r|
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CCC#N)CC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN4CCCC4C3)nc12)c1ccc(Cl)cc1
CN(Cc1ccc2ncccc2c1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)C2CCC(Cl)CC2)cc1 |(4.03,.49,;3.26,-.85,;4.03,-2.18,;5.57,-2.18,;6.34,-.85,;7.88,-.85,;8.65,-2.18,;10.19,-2.18,;10.96,-3.51,;10.19,-4.85,;8.65,-4.85,;7.88,-3.51,;6.34,-3.51,;1.72,-.85,;.95,-2.18,;.95,.49,;-.59,.49,;-1.36,1.82,;-.59,3.15,;-1.36,4.49,;-2.9,4.49,;-3.81,3.24,;-5.27,3.72,;-6.6,2.95,;-7.94,3.72,;-7.94,5.26,;-6.6,6.03,;-5.27,5.26,;-3.81,5.73,;-6.6,1.41,;-7.94,.64,;-7.94,-.9,;-6.6,-1.67,;-5.83,-3.01,;-5.27,-.9,;-5.27,.64,;-7.69,-2.76,;-9.18,-2.36,;-10.27,-3.45,;-9.87,-4.94,;-10.96,-6.03,;-8.38,-5.34,;-7.29,-4.25,;.95,3.15,;1.72,1.82,)|
CN(CC1CCCN(C)C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN(C1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC4CCCO4)CC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCN3CCCCC3)nc12)c1ccc(Cl)cc1
CNC(=O)C1CN(CCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1)C(C)C
NCCNC(=O)c1ccc(NC(=N)\N=c2/[nH]cccc2N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCNC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1ccc[nH]\c1=N/C(=N)Nc1ccc(cc1)C(=O)N1CCNCC1)c1ccc(Cl)cc1
CN1CCC(CC1)OC(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCCNC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCNC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCNCC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCCN3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCCNC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCNCC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCCCN3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCC3CCCNC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCN3CCNCC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CNCCO3)nc12)c1ccc(Cl)cc1
NCC1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
CN(CCN)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
NCC1CCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
OCC1CNCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4CNCC4C3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N[C@H]3CCCNC3)nc12)c1ccc(Cl)cc1 |r|
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(C3)CCNCC4)nc12)c1ccc(Cl)cc1
CC1CN(CCN1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CNC4)CC3)nc12)c1ccc(Cl)cc1
CN(C1CCCNC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(CNC4)C3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCNCC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CNC4)C3)nc12)c1ccc(Cl)cc1
CNC1CCN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCNC4)C3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4CCNC4C3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC33CCNC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(C3)CCCNC4)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(C3)CCCCN4)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(C3)CCCNC4)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCNC4)CC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(C3)CCNCC4)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCCNC4)C3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCNCC4)C3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCCNC4)CC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCNCC4)CC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCCCN4)C3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3COC4(C3)CCNCC4)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3COC4(C3)CCNCC4)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCC4(CCNCC4)O3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCCN4)CC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(C3)CCNC4)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOC4(CCCNC4)C3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCCN4)CC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC33CCNCC3)nc12)c1ccc(Cl)cc1
NC1CC2(C1)CCN(CC2)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CNCCO4)C3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CC3)CNCCO4)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOC4(CCNCC4)C3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3C[C@H]4CCN[C@H]4C3)nc12)c1ccc(Cl)cc1 |r|
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC33CCCNC3)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3C[C@@H]4CCN[C@@H]4C3)nc12)c1ccc(Cl)cc1 |r|
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3C[C@@H]4CNC[C@@H]4C3)nc12)c1ccc(Cl)cc1 |r|
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCN4)CC3)nc12)c1ccc(Cl)cc1
N[C@]12C[C@H]1CN(C2)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1 |r|
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N[C@@H]3[C@H]4CNC[C@@H]34)nc12)c1ccc(Cl)cc1 |r|
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4CNCC(C3)O4)nc12)c1ccc(Cl)cc1
NCC12CC(C1)CN2C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1 |(-6.92,2.41,;-6.15,1.07,;-4.61,1.07,;-3.7,2.32,;-2.24,1.84,;-3.27,.3,;-2.24,.3,;-3.7,-.17,;-4.1,-1.66,;-5.59,-2.06,;-3.01,-2.75,;-1.52,-2.35,;-.43,-3.44,;-.83,-4.93,;.26,-6.02,;1.74,-5.62,;2.22,-4.15,;3.76,-4.15,;4.79,-3.01,;6.3,-3.33,;6.77,-4.79,;5.74,-5.94,;4.24,-5.62,;2.99,-6.52,;4.31,-1.54,;5.4,-.45,;5,1.03,;3.52,1.43,;2.43,2.52,;2.43,.34,;2.83,-1.14,;4.61,2.52,;6.15,2.52,;6.92,3.85,;6.15,5.19,;6.92,6.52,;4.61,5.19,;3.84,3.85,;-2.32,-5.33,;-3.41,-4.24,)|
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC[C@H]4CNC[C@@H]34)nc12)c1ccc(Cl)cc1 |r|
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCO[C@@H]4CNC[C@@H]34)nc12)c1ccc(Cl)cc1 |r|
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCO[C@@H]4CNC[C@H]34)nc12)c1ccc(Cl)cc1 |r|
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOC4CCNCC34)nc12)c1ccc(Cl)cc1
OC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCC4(CCNCC4)CO3)nc12)c1ccc(Cl)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CCC#N)(CC2)c2ccc(Cl)cc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(Oc4ccccc4)cccn3n2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(OCc4ccccc4)cccn3n2)cc1
CO\N=C\C1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12)c1ccc(Cl)cc1
CSc1ccc(cc1)C1(CO)CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12
CC(O)C1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12)c1ccc(Cl)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CC2)(C(O)C(F)(F)F)c2ccc(Cl)cc2)cc1
CCOC(=O)CC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12)c1ccc(Cl)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CCO)(CC2)c2ccc(Cl)cc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CC(F)F)(CC2)c2ccc(Cl)cc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CC#N)(CC2)C2CCCC2)cc1
COCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12)c1ccc(Cl)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(C)(CC2)C(=O)NCc2ccccc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(C)(CC2)NC(C)=O)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(C)(CC2)N(C)S(=O)(=O)c2ccccc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(C)(CC2)c2ccc(Cl)cc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CC#N)(CC2)c2ccc(Cl)c(F)c2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(Oc4ccc5oc(=O)n(Cc6ccccc6)c5c4)cccn3n2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CN)(CC2)c2ccc(Cl)cc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CNCC(F)(F)F)CC2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(cc2)C(F)F)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CNC(C)=O)(CC2)c2ccc(Cl)cc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CC2)(C(O)=O)c2ccc(Cl)cc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CC2)(C(O)CO)c2ccc(Cl)cc2)cc1
Cc1ccc(cc1)C1(CO)CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCN(CC(F)(F)F)CC3)nc12
CC1CCCN(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(CO)(CC3)c3ccc(Cl)cc3)cc2)C1
CC1CC(C)CN(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(CO)(CC3)c3ccc(Cl)cc3)cc2)C1
CN1CCCC11CC(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1 |(-8.37,3.53,;-7.6,4.86,;-8.5,6.1,;-7.6,7.35,;-6.13,6.87,;-6.13,5.33,;-4.65,5.73,;-4.25,4.25,;-5.73,3.85,;-2.91,3.48,;-2.91,1.94,;-1.58,4.25,;-.25,3.48,;1.09,4.25,;1.09,5.79,;2.42,6.56,;3.76,5.79,;3.92,4.25,;5.42,3.93,;6.19,2.6,;7.73,2.6,;8.5,3.93,;7.73,5.27,;6.19,5.27,;5.16,6.41,;5.42,1.27,;3.88,1.27,;3.11,-.07,;3.88,-1.4,;2.4,-1.8,;1.31,-.71,;5.42,-1.4,;6.19,-.07,;4.28,-2.89,;3.19,-3.98,;3.59,-5.46,;5.08,-5.86,;5.48,-7.35,;6.17,-4.77,;5.77,-3.29,;-.25,6.56,;-1.58,5.79,)|
CN1CCC2CN(CC12)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1
OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)c3ccccn3)nc12)c1ccc(Cl)cc1
C[C@H]1CN(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(CO)(CC3)c3ccc(Cl)cc3)cc2)C[C@H](C)O1 |r|
C[C@H]1CN(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(CO)(CC3)c3ccc(Cl)cc3)cc2)C[C@@H](C)O1 |r|
OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(C3)c3ccncc3)nc12)c1ccc(Cl)cc1
OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCN(CC3)C3CCCC3)nc12)c1ccc(Cl)cc1
C[C@H]1CN(C[C@H](C)O1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1 |r|
C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1 |r|
CNC1CN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(C)cc2)cc1
Cc1ccc(CNC(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(CO)(CC3)c3ccc(Cl)cc3)cc2)cn1
CC(C)(CNC(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1)N1CCOCC1
OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCCN3CCOCC3)nc12)c1ccc(Cl)cc1
CCN(Cc1ccncc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1
OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC3c3ccncc3)nc12)c1ccc(Cl)cc1
OCC1(CCN(CC1)c1cccn2nc(Nc3cnn(CC(=O)N4CCC(CN5CCOCC5)CC4)c3)nc12)c1ccc(Cl)cc1
COC(=O)CCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cn1
CNC1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cn1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2C[C@H]3C[C@](C)(C[C@H]3C2)c2ccccc2)cc1 |r|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CC3CC2CN3Cc2ccccc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCC(CC#N)(CC2)c2ccc(Cl)cc2)cc1 |t:28|
FC(F)(F)CCC(=O)N1CCC(C=C1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCCN3CCOCC3)nc12 |c:12|
CN(CCC#N)C1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cn1
CC(C)CN1CCC(CC1)N(C)C(=O)Cn1cc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cn1 |t:31|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CC(N)=O)(CC2)c2ccc(Cl)cc2)cc1
CNC(=O)CC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12)c1ccc(Cl)cc1
CN(C)C(=O)CC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12)c1ccc(Cl)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CC(O)=O)(CC2)c2ccc(Cl)cc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(C)(CC2)NC(=O)c2ccccc2)cc1
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(C)(CC2)NS(=O)(=O)c2ccccc2)cc1
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12 |c:8|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)OC2CC2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CC(C)(C)O)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CC2CC2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)N2CC(C2)C#N)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(NC(=N)\N=c2/[nH]cccc2C2=CCN(CC2)C(=O)CC#N)cc1 |t:27|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)OCC#N)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(Cc3ccccc3)CC2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCO)cc1 |t:28|
CN(C)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12 |c:10|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC(C)(C)N3CCOCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)N(C)C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCC3CCNCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)Cc3cccnc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC3c3ccncc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4ccccn4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(Cc4ccccn4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)N3CCOCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC3)c3cccnc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(C)CC(CO)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC3C3CCCCN3C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC3c3cc(cc(C)n3)N(C)C)nc12 |c:8|
CCOC(=O)N6CC=C(c4cccn5nc(Nc3ccc(C(=O)N1CC2COCC(C1)N2)cc3)nc45)CC6
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCNCC3C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOC4(CCNCC4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCNCO4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CC4(C3)CCNCC4)nc12 |c:8|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCNC4)C3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCNCC4)CC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CNCCO3)nc12 |c:11|
CNCCNC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:23|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCN3CCNCC3)nc12 |c:11|
OCC1CNCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:27|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCCC33CCCNC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(C3)CCNC4)nc12 |c:11|
CN(C1CCCNC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:27|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4CNCC(C3)O4)nc12 |c:11|
CN1CC[C@H]2CN(C[C@@H]12)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |r,t:29|
CCN1CCC(CN(C)C(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)C1 |t:27|
CN1CCCC11CN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
Cc1ccnc(CNC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)c1 |t:26|
Cc1ncccc1CNC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
CC(CC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12)C(F)(F)F |c:8|
CN1CCC(CC1)OC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)C2CC(C)(C)C2)cc1 |t:27|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(C3)N3CCOCC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)N3CCCC3)nc12 |c:11|
CC1CCCCN1CCCNC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:30|
CN1CCCC1CCNC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCN(CC3)C3CCCC3)nc12 |c:11|
Cc1ccc(nc1)C1CCCN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
CN(C)c6ccc(C5CCCN(C(=O)c4ccc(Nc3nc2c(C1=CCN(C(=O)CCC(F)(F)F)CC1)cccn2n3)cc4)C5)nc6
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC#N)CC2)cc1 |t:28|
COC1CC(C1)C(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12 |c:12,(-8.26,10.4,;-6.93,11.17,;-5.59,10.4,;-4.11,10.79,;-3.71,9.31,;-5.19,8.91,;-2.37,8.54,;-1.04,9.31,;-2.37,7,;-3.71,6.23,;-3.71,4.69,;-2.37,3.92,;-1.04,4.69,;-1.04,6.23,;-2.37,2.38,;-3.71,1.61,;-3.71,.07,;-2.37,-.7,;-1.04,.07,;.43,-.41,;1.33,.84,;2.87,.84,;3.64,-.5,;2.87,-1.83,;3.64,-3.16,;5.18,-3.16,;5.95,-1.83,;5.18,-.5,;5.95,-4.5,;7.49,-4.5,;5.18,-5.83,;3.64,-5.83,;5.95,-7.17,;7.49,-7.17,;8.26,-8.5,;7.49,-9.83,;8.26,-11.17,;5.95,-9.83,;5.18,-8.5,;.43,2.08,;-1.04,1.61,)|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CC(C)(C)C)cc1 |t:28|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC(C3)NC)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCCN3CCOCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCN3CCN(C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CN(C)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)CCc3ccccn3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)CC3CCCN(C)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(C3)c3ccncc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)N3CC(C)OC(C)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CCN4CCOCC4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)CC3CCN(C3)C(C)C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(C3)N3CCOCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC3c3ccc(C)cn3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(C3)CCN(C)C4)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N[C@H]3CN4CCC3CC4)nc12 |r,wU:28.29,c:8,TLB:27:28:31.32:34.35,(1.04,7.05,;.64,5.56,;1.73,4.47,;1.33,2.99,;-.16,2.59,;2.42,1.9,;2.02,.41,;3.11,-.68,;4.6,-.28,;4.99,1.21,;3.91,2.3,;5.69,-1.37,;7.09,-.74,;8.34,-1.65,;8.18,-3.18,;6.77,-3.81,;6.29,-5.27,;4.75,-5.27,;3.67,-6.36,;2.18,-5.96,;1.78,-4.47,;.29,-4.08,;-.8,-5.16,;-.4,-6.65,;1.09,-7.05,;-2.28,-4.77,;-3.37,-5.85,;-2.68,-3.28,;-4.17,-2.88,;-5.72,-3.29,;-7.19,-1.3,;-7.19,.69,;-5.98,-.52,;-5.98,-1.71,;-7.04,-2.81,;-8.34,-2.06,;4.28,-3.81,;5.52,-2.9,)|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3Cc4cccnc4C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4CC3(CN)C4)nc12 |c:8,(-.23,-7.05,;.17,-5.56,;-.92,-4.47,;-.52,-2.99,;.96,-2.59,;-1.61,-1.9,;-1.21,-.41,;-2.3,.68,;-3.79,.28,;-4.19,-1.21,;-3.1,-2.3,;-4.88,1.37,;-6.29,.74,;-7.53,1.65,;-7.37,3.18,;-5.96,3.81,;-5.49,5.27,;-3.95,5.27,;-2.86,6.36,;-1.37,5.96,;-.97,4.47,;.52,4.08,;1.6,5.16,;1.21,6.65,;-.28,7.05,;3.09,4.77,;4.18,5.85,;3.49,3.28,;2.58,2.03,;3.49,.79,;4.95,1.26,;4.95,2.8,;6.04,3.89,;7.53,3.49,;3.47,2.4,;-3.47,3.81,;-4.72,2.9,)|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Cc3ccc(cc3)C(=O)N3CCO[C@@H]4CNC[C@H]34)nc12 |r,c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3C[C@@H]4C[C@]4(N)C3)nc12 |r,c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC(N)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCNCC4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC3CN)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(CNC4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCNC4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(C3)CCNCC4)nc12 |c:8|
NCC1CCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:26|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(C3)CCNCC4)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOC4(CCCNC4)C3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCC4(CCNCC4)O3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCNCC3)nc12 |c:11|
CNC1CCN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:26|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCC3CCNCC3)nc12 |c:11|
CN1CC2CN(CC2C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
CN(C)CCC1CCCN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:30|
CN(C)CC1(O)CCCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:31|
CN(C)c1cc(nc(C)n1)C1CCCN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:36|
CN(C)c1cccc(n1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:35|
CN(C)c1cc(C)nc(c1)C1CCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:35|
CN1CCCC2(CCCN(C2)C(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)C1 |t:30|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)OC3CCN(C)CC3)nc12 |c:8|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(Cc4ccccn4)CC3)nc12 |c:11|
CN(CCc1ccncc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
CN1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:26|
CN1CCN(CCCNC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)CC1 |t:27|
OC1CCN(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)CC1 |t:26|
CC1CCCN(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)C1 |t:27|
CN(C)CCN1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:30|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC(C3)c3cc4cccnc4[nH]3)nc12 |c:11|
CN(Cc1ccccc1-c1cccnc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:35|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)C2CCOCC2)cc1 |t:28|
CNC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12 |c:7|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)C2CCOC2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)OCC(F)(F)F)cc1 |t:28|
CC(C)CC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12 |c:9|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC(C)(C)CN3CCOCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCC3CCCN3C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCN3CCNCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCCNC3)nc12 |c:8|
COC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCCCN3)nc12 |c:7|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC(C3)C(=O)N(C)C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCC3CCN(C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(Cc4ccccc4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(C3)N(CC)CC)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)CCc3ccncc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(C3)CN(C)CCO4)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)c3ccncc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)nc12 |r,c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4CN(C)CC(C3)O4)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCc3cc(C)ccn3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOC4CCNCC34)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4CNCC4C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCO[C@@H]4CNC[C@@H]34)nc12 |r,c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCN4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCNCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CN)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCCCN4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCCNC4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CC(N)C4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOC4(CCCNC4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCNC4)CC3)nc12 |c:8|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCNC4)CC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCCNC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N[C@H]3CCCNC3)nc12 |r,c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCO[C@@H]4CNC[C@H]34)nc12 |r,c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC(C4CCCNC4)c4ccccc34)nc12 |c:11|
CN(Cc1cccc2cccnc12)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CCC#N)CC3)nc12 |c:11|
Cc1ccc(nc1)C1CCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:32|
CN1CCN(CC(CO)C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC3c3ccccc3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3Cc4cccnc4C3)nc12 |c:11|
CC1CCN(CC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)CC1 |t:24|
Cc1ccc(CNC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)cn1 |t:25|
CN1CCC(CC1)C1CCCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
CN1CCC(CC1)N(C1CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:31|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN4CCCCC4C3)nc12 |c:11|
CN(CCc1ccccn1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
OCCN1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOC(C3)c3ccccn3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)c3cc4cccnc4[nH]3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)c3ccccn3)nc12 |c:11|
CC1CN(CC(C)O1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:34|
CN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |r,t:27|
CN1CCN(CC1)C(=O)C1CN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)C2CC2(C)C)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)C2C(C)(C)C2(C)C)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)N2CCS(=O)(=O)CC2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CC(F)(F)F)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)C2CC(C)(O)C2)cc1 |t:28,(3.08,-5.99,;4.62,-5.99,;5.39,-7.32,;4.62,-8.66,;5.39,-9.99,;6.93,-9.99,;7.7,-11.33,;7.7,-8.66,;6.93,-7.32,;5.39,-4.66,;6.93,-4.66,;4.62,-3.32,;5.39,-1.99,;4.62,-.66,;3.08,-.66,;2.31,.68,;.77,.68,;-.14,1.92,;-1.6,1.45,;-2.94,2.22,;-4.27,1.45,;-4.27,-.09,;-2.94,-.86,;-1.6,-.09,;-.14,-.57,;-2.94,3.76,;-1.6,4.53,;-1.6,6.07,;-2.94,6.84,;-4.27,6.07,;-4.27,4.53,;-2.94,8.38,;-1.6,9.15,;-4.27,9.15,;-4.67,10.64,;-6.16,10.24,;-7.7,10.24,;-7.25,11.33,;-5.76,8.75,;2.31,-1.99,;3.08,-3.32,)|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC(CN)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC(C3)c3ccccn3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCN3CC(C)OC(C)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CCO)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCN(C)C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC(C)c3cccc(C)n3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(Cc3ccccn3)C3CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCc3ccncc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)Cc3ncccc3C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(CC)Cc3ccncc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(C3)CCN(C)CC4)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC(C3)C3CCCN3C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCc3cccnc3C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCc3cncc(C)c3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCN3CCC(C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4CNCC(C3)O4)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCNCC4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCCN4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCCN4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CNC4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(C3)CCCNC4)nc12 |c:8|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(C3)CCCNC4)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(C3)CCNCC4)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3COC4(C3)CCNCC4)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCC4(CCNCC4)CO3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CNCCO4)C3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCCNC4)CC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCCNC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCC3CCCNC3)nc12 |c:11|
NCCNC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:22|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCNCC3)nc12 |c:11|
CC1CN(CCN1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:26|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCN4)CC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCCN4)CC3)nc12 |c:11|
CN(Cc1ccccn1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN4CCCC4C3)nc12 |c:11|
CN1CC2CC(C1)N(C2)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC3)C3CC3)nc12 |c:11|
Cn1ccnc1CN1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
CC(=O)N1CC2(C1)CN(C2)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:30|
CN1CC2CN(CC(C1)O2)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:30|
Cc1cncc(CNC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)c1 |t:26|
NCC1CN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:25|
CC1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
COCCN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:31|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)N3CCOCC3)nc12 |c:11|
CCN(CC)C5CCN(C(=O)c4ccc(Nc3nc2c(C1=CCN(C(=O)CCC(F)(F)F)CC1)cccn2n3)cc4)C5
CN(CCc1cccnc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
CC(C)(CNC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1)N1CCOCC1 |t:23|
CN1CCCCC1CNC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
Cc1ccc(nc1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
Cc1cccc(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)n1 |t:27|
CN(C)c1cc(CC2CCN(C2)C(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)ncn1 |t:31|
Cc1ccc(CC2CCN(C2)C(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)nc1 |t:30|
CCN(Cc1ccncc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCc3cccnc3)nc12 |c:11|
CN(C1CCN(C)CC1)C(=O)c1ccc(NC(=N)\N=c2/[nH]cccc2C2=CCN(CC2)C(=O)NCc2ccccc2)cc1 |t:27|
CC1CC1C(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12 |c:10|
COC(=O)N1CCC(=CC1)c1ccc[nH]\c1=N/C(=N)Nc1ccc(cc1)C(=O)N(C)C1CCN(C)CC1 |c:7|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)OCC(F)F)cc1 |t:28|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCN3CCCC(C)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CCN(C)C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOC(C3)c3ccccn3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCc3cccc(C)n3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCNC)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCNC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCCC3c3cccnc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCCN3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4ccccn4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCCC3Cc3ccccn3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CCOC)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)CCc3cccnc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC4CC4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC3Cc3ccccn3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC(O)(CN4CCCC4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC(CCN(C)C)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(C)CC3C(=O)N(C)C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC[C@H]4CN(C)C[C@@]34C)nc12 |r,c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCc3ccc(C)nc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC[C@H]4CNC[C@@H]34)nc12 |r,c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCCC33CCCNC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3C[C@H]4CN[C@H]4C3)nc12 |r,c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCN(C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC3)c3ccccn3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCCNC4)CC3)nc12 |c:8|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(C3)CCCNC4)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOC4(CCNCC4)C3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCNC3)nc12 |c:11|
NC1CN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:24|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC33CCCNC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)C3CCCC33CCNCC3)nc12 |c:11|
CN1CCOC2(CN(C2)C(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)C1 |t:28|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC3)C3CCC3)nc12 |c:11|
CN(C)C(=O)C1(CCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1)c1ccncc1 |t:29|
CN1CCN(CC1)C(=O)C1COCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:35|
CC1CC(C1)C(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12 |c:11,(8.75,-5.93,;7.41,-5.16,;5.93,-5.56,;5.53,-4.08,;7.02,-3.68,;4.19,-3.31,;2.86,-4.08,;4.19,-1.77,;2.86,-1,;2.86,.54,;4.19,1.31,;5.53,.54,;5.53,-1,;4.19,2.85,;5.53,3.62,;5.53,5.16,;4.19,5.93,;2.86,5.16,;1.4,5.64,;.49,4.39,;-1.05,4.39,;-1.82,3.06,;-3.36,3.06,;-4.13,1.73,;-3.36,.39,;-1.82,.39,;-1.05,1.73,;-4.13,-.94,;-3.36,-2.27,;-5.67,-.94,;-6.44,-2.27,;-6.44,.39,;-5.67,1.73,;-6.44,3.06,;-7.98,3.06,;-8.75,4.39,;-8.75,1.73,;-7.98,.39,;1.4,3.15,;2.86,3.62,)|
CN1CCC(CC1)OC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:27|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCCC3Cc3ccccn3)nc12 |c:11|
CC(C)CN1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
CN(C1CCN(C)C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:27|
CC1CN(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)CC(C)O1 |t:25|
CC1CC(C)CN(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)C1 |t:28|
CN1CCN(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)CC1 |t:26|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCCN3CCOCC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(Cc3ccccc3)C3CC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC3c3ccncc3)nc12 |c:11|
CN1CCC(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)CC1 |t:26|
CNC(=O)C1CN(CCN1C)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:30|
CNC(=O)C1CN(C)CCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:30|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4cccnc4)CC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCN(CC3)c3ccncc3)nc12 |c:11|
OCCN(Cc1cccnc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:30|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCCC3c3cccnc3)nc12 |c:11|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)C2CCCC2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)C2CCC2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)OC2COC2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)c2ccccc2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(NC(=N)\N=c2/[nH]cccc2C2=CCN(CC2)C(=O)[C@@H]2CC[C@@H](CC2)C#N)cc1 |r,wD:33.35,36.42,t:27,(7.43,-3.4,;8.51,-2.31,;10,-2.71,;10.4,-4.2,;11.89,-4.59,;12.98,-3.51,;14.46,-3.9,;12.58,-2.02,;11.09,-1.62,;8.12,-.82,;9.2,.27,;6.63,-.42,;5.54,-1.51,;4.05,-1.11,;3.65,.37,;2.17,.77,;1.08,-.32,;1.08,-1.86,;-.39,.16,;-1.29,-1.09,;-.39,-2.33,;-1.01,-3.74,;-2.55,-3.9,;-3.45,-2.66,;-2.82,-1.25,;-3.91,-.16,;-3.52,1.33,;-4.6,2.42,;-6.09,2.02,;-6.49,.53,;-5.4,-.56,;-7.18,3.11,;-6.78,4.59,;-8.67,2.71,;-9.07,1.22,;-10.55,.82,;-11.64,1.91,;-11.24,3.4,;-9.76,3.8,;-13.13,1.51,;-14.46,.74,;4.74,1.46,;6.23,1.06,)|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)N2CC3(COC3)C2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC#N)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
CCCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12 |c:8|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)N2CC(C)(C)C2)cc1 |t:28|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCCN3CCN(C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCCN(C)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCN3CCCCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC(C3)N3CCOCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCNC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(Cc4cccnc4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)N3CCN(C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CCn4ccnc4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC(C)C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)N3CCCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C3CC3)C3CCN(C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC(O)(CN(C)C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)CC3CCN(CC)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CC33CCNCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CN)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4CNCC34)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CC3)CNCCO4)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCCN4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC33CCNC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(C3)CCCNC4)nc12 |c:8|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4CNCC4C3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CNC4)CC3)nc12 |c:11|
NC1CC2(C1)CCN(CC2)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:30|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCC3CCCN3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCCN3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCNCC3)nc12 |c:11|
CC1CNCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:26|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC[C@H]4CNC[C@@H]34)nc12 |r,c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3C[C@@H]4CNC[C@@H]4C3)nc12 |r,c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CC4(C3)CCNCC4)nc12 |c:11|
N[C@]12C[C@H]1CN(C2)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |r,t:27|
CN1CCCCC1C1CCCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:32|
CN(C)C(=O)C1CN(CCN1C)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:31|
CN1C[C@@H]2CCN([C@@H]2C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |r,t:29|
CNC(=O)C1CN(CCN1C(=O)c1ccc(Nc2nc3C(CC=Cn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1)C(C)C |c:23,t:29|
CN1CCC2(CN(C2)C(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)C1 |t:27|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC3)C3CCCCC3)nc12 |c:11|
CC(C)N1CCC(CC1)N(C)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:30|
COCCN1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
CN1C(C)(C)CC(CC1(C)C)NC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:31|
CC(C)(CN1CCOCC1)NC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:30|
CC(CN1CCCCC1)NC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
CN1CCC(CC1)NC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:27|
CN(C)CCNC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:24|
CN1CCCC(CNC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)C1 |t:26|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(C3)c3ccncc3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC(C3)N3CCOCC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC4CCCO4)CC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC(C3)c3ccccn3)nc12 |c:11|
CNC(=O)C1CN(CCN1Cc1ccccc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:37|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCc3ccncc3)nc12 |c:11|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(C)=O)cc1 |t:28|
CC(C)COC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12 |c:10|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)OC2CCOC2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)C2CC(C)(C)C2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(NC(=N)\N=c2/[nH]cccc2C2=CCN(CC2)C(=O)C2CCCCC2)cc1 |t:27|
CCCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12 |c:9|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)[C@H]2CC[C@@H](CC2)C#N)cc1 |r,wU:33.36,wD:36.43,t:28,(6.69,-4.23,;8.02,-3.46,;9.35,-4.23,;9.35,-5.77,;10.69,-6.54,;12.02,-5.77,;13.35,-6.54,;12.02,-4.23,;10.69,-3.46,;8.02,-1.92,;9.35,-1.15,;6.69,-1.15,;5.35,-1.92,;4.02,-1.15,;4.02,.39,;2.68,1.16,;1.35,.39,;-.06,1.02,;-1.09,-.13,;-2.63,-.13,;-3.4,-1.46,;-2.63,-2.8,;-1.09,-2.8,;-.32,-1.46,;1.19,-1.14,;-3.4,1.21,;-2.63,2.54,;-3.4,3.87,;-4.94,3.87,;-5.71,2.54,;-4.94,1.21,;-5.71,5.21,;-4.94,6.54,;-7.25,5.21,;-8.02,3.87,;-9.56,3.87,;-10.33,5.21,;-9.56,6.54,;-8.02,6.54,;-11.87,5.21,;-13.35,4.81,;5.35,1.16,;6.69,.39,)|
CN(C1CCN(C)CC1)C(=O)c1ccc(NC(=N)\N=c2/[nH]cccc2C2=CCN(CC2)C(=O)OCc2ccccc2)cc1 |t:27|
CCCCC(=O)N1CCC(=CC1)c1ccc[nH]\c1=N/C(=N)Nc1ccc(cc1)C(=O)N(C)C1CCN(C)CC1 |c:9|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)OCC2CC2)cc1 |t:28|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC(C)CN(C)C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCNCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(C3)NC)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)c3ccccn3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)Cc3cccc4cccnc34)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCNCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)Cc3ccncc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCC3CCCN3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC4CCCO4)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(CCOC)C3CCN(C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(CC3)C(C)C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4CC3CN(C)C4)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC3)C3CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC3)C3CCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCCN(C)C4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3C[C@@H]4CCN[C@@H]4C3)nc12 |r,c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(C3)CCNC4)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC33CCNCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)CCN)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)C1=CC=CN2NC(Nc3ccc(cc3)C(=O)N3CCC4(CNC4)C3)N=C12 |c:8,14,t:12,39|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(C3)CCCCN4)nc12 |c:8|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CCCN4)C3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(C3)CCCCN4)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4(CNC4)C3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2ncnc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc([cH-]3)C(=O)N3CCCC4(CCNCC4)C3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCCCN4)C3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCCN4)CC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCCCN3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC4CNCC34)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3C[C@@H]4CCN[C@@H]4C3)nc12 |r,c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CC33CCNCC3)nc12 |c:11|
CN(CC1CCCN(C)C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
OC1(CN2CCCC2)CCCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:34|
CN1CCC2(CN(C2)C(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)CC1 |t:27|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(CNC4)C3)nc12 |c:11|
CN1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(Cc4cccnc4)CC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC3)c3cccnc3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC3Cc3ccccn3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC3)c3ccccn3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC4CC4)CC3)nc12 |c:11|
CC(CN(C)C)NC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:25|
CCCN1CCC(CC1)N(C1CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
CC(NC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1)c1cccc(C)n1 |t:21|
CN(Cc1cccnc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC(C3)N3CCCCCC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4ccccn4)CC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4cccnc4)C3)nc12 |c:11|
CN(C)c1ccc(CN(C)C(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)cc1 |t:28|
CN(Cc1ccncc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)c2ccccc2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)C2CC2)cc1 |t:28|
CC(C)C(=O)N1CCC(=CC1)c1ccc[nH]\c1=N/C(=N)Nc1ccc(cc1)C(=O)N(C)C1CCN(C)CC1 |c:8|
COCCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12 |c:9|
CC(C)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCN(C)CC3)nc12 |c:10|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)N2CCOCC2)cc1 |t:28|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(C3)N(C)C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCCCN3C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCC3CCCNC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)C1=CC=CN2NC(Nc3ccc(cc3)C(=O)N3CCN(CCC#N)CC3)NC12 |c:8,14,t:12|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN4CCCC4C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)Cc3ccccn3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC[C@@H](C3)N(C)C)nc12 |r,c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC(C3)C(=O)N3CCN(C)CC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCc3cccnc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCc3ccccn3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4ccncc4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCNCC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4cccnc4)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3CCCNC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCC3CCCCN3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCN(CC3)c3ccncc3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN4CCCCC4C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(C)C(C3)C(=O)N(C)C)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(CN(C4)C(C)=O)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)C3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N[C@@H]3[C@H]4CNC[C@@H]34)nc12 |r,c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3C[C@@H]4CNC[C@@H]4C3)nc12 |r,c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC33CCCNC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CC4(C3)CCCCN4)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N(C)C3CCCNC3)nc12 |c:8|
CCOC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCNC4)C3)nc12 |c:8|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC33CCNC3)nc12 |c:11|
CN(CCN)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:23|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCC3COC4(C3)CCCNC4)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCC4(CCCNC4)C3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc([cH-]3)C(=O)NCC3CCNC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCNCC3)nc12 |c:11|
NCC1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:27|
NCC1CCN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:26|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCO[C@@H]4CNC[C@@H]34)nc12 |r,c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3C[C@H]4CN[C@H]4C3)nc12 |r,c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCCC33CCNCC3)nc12 |c:11|
CN(C1CNC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:25|
NCC12CC(C1)CN2C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28,(-5.87,6.92,;-6.27,5.43,;-4.94,4.66,;-3.47,5.14,;-2.57,3.89,;-4.17,3.33,;-3.47,2.65,;-4.94,3.12,;-6.02,2.04,;-7.51,2.43,;-5.63,.55,;-4.14,.15,;-3.74,-1.34,;-4.83,-2.43,;-4.43,-3.91,;-2.94,-4.31,;-1.7,-3.41,;-.45,-4.31,;1.06,-3.99,;2.09,-5.14,;1.61,-6.6,;.1,-6.92,;-.93,-5.78,;-2.47,-5.78,;1.45,-2.51,;2.94,-2.11,;3.34,-.62,;2.25,.47,;.76,.07,;.37,-1.42,;2.65,1.96,;1.56,3.05,;4.14,2.36,;4.54,3.84,;6.02,4.24,;7.51,3.84,;6.42,5.73,;6.02,2.7,;-6.32,-2.03,;-6.71,-.54,)|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOC4CCNCC34)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N[C@@H]3[C@H]4CNC[C@@H]34)nc12 |r,c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCN3CCCCC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)c3ccncc3)nc12 |c:11|
CN(C)C(=O)C1CN(C)CCN1C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:31|
O=C(CCC(F)(F)F)N6CC=C(c4cccn5nc(Nc3ccc(C(=O)N1CC2COCC(C1)N2)cc3)nc45)CC6
CN1CCC(C1)NC(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:26|
CN(Cc1ccc2ncccc2c1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
CC1CCCN(C1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CCn4ccnc4)CC3)nc12 |c:11|
CC(C)N1CCC(CN(C)C(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)C1 |t:28|
CN(C)C1CCN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:27|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCN3CCOCC3)nc12 |c:11|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCN3CCCC3)nc12 |c:11|
CN1CCC(CNC(=O)c2ccc(Nc3nc4c(cccn4n3)C3=CCN(CC3)C(=O)CCC(F)(F)F)cc2)CC1 |t:25|
Cc1cccc(n1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N[C@H]3CN4CCC3CC4)nc12 |r,wD:31.32,c:11,THB:30:31:35.34:37.38,(7.05,6.9,;7.45,5.42,;8.93,5.81,;8.22,4.08,;6.11,4.65,;6.11,3.11,;4.78,2.34,;3.45,3.11,;4.78,.8,;3.45,.03,;3.45,-1.51,;4.78,-2.28,;6.11,-1.51,;6.11,.03,;4.78,-3.82,;6.11,-4.59,;6.11,-6.13,;4.78,-6.9,;3.45,-6.13,;1.98,-6.61,;1.08,-5.36,;-.46,-5.36,;-1.23,-4.03,;-.46,-2.7,;-1.23,-1.36,;-2.77,-1.36,;-3.54,-2.7,;-2.77,-4.03,;-3.54,-.03,;-2.77,1.3,;-5.08,-.03,;-5.85,1.3,;-4.77,2.39,;-6.31,2.39,;-7.39,3.97,;-8.16,2.64,;-7.39,1.3,;-8.16,-.03,;-8.93,1.3,;1.98,-4.12,;3.45,-4.59,)|
CNC(=O)C1CN(CCN1CCc1ccccc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:38|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC(=O)N3CCC(Cc4ccccn4)C3)nc12 |c:11|
CN(Cc1ccccc1)C1CCCN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:35|
CN(C1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:34|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CCN4CCOCC4)CC3)nc12 |c:11|
CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:35|
CN(Cc1ncccc1C)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
CN(Cc1ccc2N(C)CCCc2c1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:34|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCc3ccccn3)nc12 |c:11|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCNCC2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CCC2)C(=O)N2CC(C)(C)C2)cc1 |t:28|
CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(C2)C(=O)N2CC(C)(C)C2)cc1 |t:28|
NCC1(CCN(CC1)c1cccn2nc(NC(=O)C3CC3)nc12)c1ccccc1
CN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23
CC1Oc2ccc3ncc(C(=O)NCCOc4ccc(F)cc14)n3n2
CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2
C[C@H]1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 |r|
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1
Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1 |r|
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCC(CC1)NCCC#N |r,wU:15.17,1.1,(-6.74,1.49,;-5.2,1.49,;-4.23,2.68,;-4.65,.05,;-5.28,-1.36,;-4.13,-2.39,;-4.13,-3.93,;-2.8,-4.7,;-1.47,-3.93,;-0,-4.4,;.9,-3.16,;-0,-1.91,;-1.47,-2.39,;-2.8,-1.62,;-3.12,-.11,;-2.07,.74,;-2.47,2.23,;-1.38,3.32,;.1,2.92,;.5,1.43,;-.59,.34,;1.19,4.01,;2.68,3.61,;3.77,4.7,;5.26,4.3,;6.74,3.9,)|
CCNC(=O)N[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r,wU:9.12,24.29,wD:6.5,(6.54,5.04,;5.46,3.95,;3.97,4.35,;2.88,3.26,;3.28,1.78,;1.39,3.66,;.3,2.57,;-1.19,2.97,;-2.27,1.88,;-1.88,.39,;-.39,-0,;.7,1.09,;-2.92,-.46,;-4.45,-.3,;-5.08,-1.7,;-3.93,-2.73,;-3.93,-4.27,;-2.6,-5.04,;-1.27,-4.27,;.2,-4.75,;1.1,-3.5,;.2,-2.26,;-1.27,-2.73,;-2.6,-1.96,;-5,1.14,;-6.54,1.14,;-4.03,2.34,)|
CCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@@H](O)C1 |r|
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)OCC(F)(F)F |r|
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCc1cn[nH]c1 |r|
C[C@@H](N)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|
CC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(CC(C)(C)O)c2)ncc1Cl
CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)cn1
Clc1cnc(Nc2cnn(c2)-c2ccccn2)nc1NC1CC2CN(CC2C1)C(=O)CC#N
COc1ccc(cn1)-n1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC3CC3)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)C3CC3)n2)cn1
CCOC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC(C)(C)O)CC4C3)n2)cn1
CCNC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)NC3CC3)n2)cn1
CCNS(=O)(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)NC3CC3)n2)cn1
CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)S(C)(=O)=O)n2)cn1
CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1
CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1
Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:16.19,wD:13.15,(-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)|
OCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:17.20,wD:14.16,(-4.33,.37,;-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)|
C[C@@H](O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:19.22,1.1,wD:16.18,(-5.1,-.96,;-4.33,.37,;-5.1,1.71,;-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)|
CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:24.27,wD:21.23,(-4.33,5.71,;-5.1,4.37,;-6.64,4.37,;-5.87,5.71,;-4.33,3.04,;-5.1,1.71,;-4.33,.37,;-5.1,-.96,;-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)|
N#CC[C@H]1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)-c1c[nH]cn1 |r,wU:3.2,(5.45,3.94,;3.94,4.26,;2.44,4.58,;1.41,3.44,;1.88,1.97,;.85,.83,;-.65,1.15,;-1.13,2.61,;-.1,3.76,;-1.68,0,;-3.22,.17,;-3.84,-1.24,;-2.7,-2.27,;-2.7,-3.81,;-1.36,-4.58,;-.03,-3.81,;1.43,-4.29,;2.34,-3.04,;1.43,-1.8,;-.03,-2.27,;-1.36,-1.5,;-3.99,1.5,;-5.45,1.97,;-5.45,3.51,;-3.99,3.99,;-3.08,2.74,)|
O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCC1CC1 |r,wU:18.21,wD:15.17,(-5.21,-1.06,;-4.44,.27,;-2.9,.27,;-2.13,-1.06,;-2.75,-2.47,;-1.61,-3.5,;-1.61,-5.04,;-.27,-5.81,;1.06,-5.04,;2.52,-5.52,;3.43,-4.27,;2.52,-3.03,;1.06,-3.5,;-.27,-2.73,;-.59,-1.22,;.44,-.08,;1.94,-.4,;2.97,.74,;2.5,2.21,;3.53,3.35,;5.03,3.03,;6.54,2.72,;.99,2.53,;-.04,1.38,;-5.21,1.6,;-4.44,2.94,;-5.21,4.27,;-5.21,5.81,;-6.54,5.04,)|
O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCC#N |r,wU:18.21,wD:15.17,(-3.18,.17,;-2.41,1.5,;-.87,1.5,;-.1,.17,;-.72,-1.24,;.42,-2.27,;.42,-3.81,;1.75,-4.58,;3.09,-3.81,;4.55,-4.29,;5.46,-3.04,;4.55,-1.8,;3.09,-2.27,;1.75,-1.5,;1.43,0,;2.46,1.15,;3.97,.83,;5,1.97,;4.52,3.44,;5.56,4.58,;7.06,4.26,;8.57,3.94,;3.02,3.76,;1.99,2.61,;-3.18,2.83,;-4.72,2.83,;-5.49,4.17,;-7.03,4.17,;-8.57,4.17,)|
O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC1CCOCC1 |r,wU:18.21,wD:15.17,(-3.56,.17,;-2.79,1.5,;-1.25,1.5,;-.48,.17,;-1.11,-1.24,;.04,-2.27,;.04,-3.81,;1.37,-4.58,;2.7,-3.81,;4.17,-4.29,;5.07,-3.04,;4.17,-1.8,;2.7,-2.27,;1.37,-1.5,;1.05,0,;2.08,1.15,;3.59,.83,;4.62,1.97,;4.14,3.44,;5.17,4.58,;6.68,4.26,;8.18,3.94,;2.63,3.76,;1.6,2.61,;-3.56,2.83,;-5.1,2.83,;-5.87,4.17,;-7.41,4.17,;-8.18,2.83,;-7.41,1.5,;-5.87,1.5,)|
O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCC1CCOCC1 |r,wU:18.21,wD:15.17,(-3.56,-.96,;-2.79,.37,;-1.25,.37,;-.48,-.96,;-1.11,-2.37,;.04,-3.4,;.04,-4.94,;1.37,-5.71,;2.7,-4.94,;4.17,-5.41,;5.07,-4.17,;4.17,-2.92,;2.7,-3.4,;1.37,-2.63,;1.05,-1.12,;2.08,.02,;3.59,-.3,;4.62,.85,;4.14,2.31,;5.17,3.46,;6.68,3.14,;8.18,2.82,;2.63,2.63,;1.6,1.49,;-3.56,1.71,;-5.1,1.71,;-5.87,3.04,;-5.1,4.37,;-5.87,5.71,;-7.41,5.71,;-8.18,4.37,;-7.41,3.04,)|
CC(C)(CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)C#N |r,wU:23.26,wD:20.22,(-5.09,-2.66,;-5.49,-1.17,;-4,-1.57,;-4.72,.17,;-3.18,.17,;-2.41,1.5,;-3.18,2.83,;-.87,1.5,;-.1,.17,;-.72,-1.24,;.42,-2.27,;.42,-3.81,;1.75,-4.58,;3.09,-3.81,;4.55,-4.29,;5.46,-3.04,;4.55,-1.8,;3.09,-2.27,;1.75,-1.5,;1.43,0,;2.46,1.15,;3.97,.83,;5,1.97,;4.52,3.44,;5.56,4.58,;7.06,4.26,;8.57,3.94,;3.02,3.76,;1.99,2.61,;-7.03,-1.17,;-8.57,-1.17,)|
OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)CCC1 |r,wU:22.25,wD:19.21,(-7.69,-.4,;-6.36,-1.17,;-5.59,.17,;-4.05,.17,;-3.28,1.5,;-4.05,2.83,;-1.74,1.5,;-.97,.17,;-1.6,-1.24,;-.45,-2.27,;-.45,-3.81,;.88,-4.58,;2.21,-3.81,;3.68,-4.29,;4.58,-3.04,;3.68,-1.8,;2.21,-2.27,;.88,-1.5,;.56,0,;1.59,1.15,;3.1,.83,;4.13,1.97,;3.65,3.44,;4.68,4.58,;6.19,4.26,;7.69,3.94,;2.15,3.76,;1.11,2.61,;-4.87,-1.57,;-5.27,-3.05,;-6.76,-2.66,)|
Cn1cc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cn1 |r,wU:23.26,wD:20.22,(-8.49,1.71,;-7.16,.94,;-5.7,1.41,;-4.79,.17,;-3.25,.17,;-2.48,1.5,;-3.25,2.83,;-.94,1.5,;-.17,.17,;-.8,-1.24,;.35,-2.27,;.35,-3.81,;1.68,-4.58,;3.01,-3.81,;4.48,-4.29,;5.38,-3.04,;4.48,-1.8,;3.01,-2.27,;1.68,-1.5,;1.36,0,;2.39,1.15,;3.9,.83,;4.93,1.97,;4.45,3.44,;5.48,4.58,;6.99,4.26,;8.49,3.94,;2.95,3.76,;1.91,2.61,;-5.7,-1.08,;-7.16,-.6,)|
O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)|
O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)Nc1cc[nH]n1 |r,wU:18.21,wD:15.17,(-3.92,.17,;-3.15,1.5,;-1.61,1.5,;-.84,.17,;-1.46,-1.24,;-.32,-2.27,;-.32,-3.81,;1.01,-4.58,;2.35,-3.81,;3.81,-4.29,;4.72,-3.04,;3.81,-1.8,;2.35,-2.27,;1.01,-1.5,;.69,0,;1.72,1.15,;3.23,.83,;4.26,1.97,;3.78,3.44,;4.82,4.58,;6.32,4.26,;7.83,3.94,;2.28,3.76,;1.25,2.61,;-3.92,2.83,;-5.46,2.83,;-6.36,4.08,;-7.83,3.6,;-7.83,2.06,;-6.36,1.59,)|
OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)CC1 |r,wU:22.25,wD:19.21,(-7.77,-.77,;-6.28,-1.17,;-5.51,.17,;-3.97,.17,;-3.2,1.5,;-3.97,2.83,;-1.66,1.5,;-.89,.17,;-1.52,-1.24,;-.38,-2.27,;-.38,-3.81,;.96,-4.58,;2.29,-3.81,;3.76,-4.29,;4.66,-3.04,;3.76,-1.8,;2.29,-2.27,;.96,-1.5,;.64,0,;1.67,1.15,;3.17,.83,;4.2,1.97,;3.73,3.44,;4.76,4.58,;6.27,4.26,;7.77,3.94,;2.22,3.76,;1.19,2.61,;-6.28,-2.71,;-4.95,-1.94,)|
CC(C)(C)OC(=O)N1CC(CC#N)(C1)n1nc(Nc2ccccc2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccccc2)c2c1cc[nH]c2=O
CCNc1nn(c2cc[nH]c(=O)c12)C1(CC#N)CCN(CC1)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(NCC2CC2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(NC2CCC2)c2c1cc[nH]c2=O
CCNc1nn(c2cc[nH]c(=O)c12)C1(CC#N)CN(C1)C(=O)OC(C)(C)C
CNc1nn(c2cc[nH]c(=O)c12)C1(CC#N)CCN(CC1)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)N1CC(CC#N)(C1)n1nc(NC2CC2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CC(CC#N)(C1)n1nc(Nc2ccnc(c2)C(F)(F)F)c2c1cc[nH]c2=O
COC(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CN(C2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CC(CC#N)(C1)n1nc(Nc2ccc(F)cc2)c2c1cc[nH]c2=O
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)[C@H](O)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)[C@@H](O)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(N)(=O)=O)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3C(=O)N(CC(F)(F)F)Cc3c2)c2c1cc[nH]c2=O
CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCN(CC3)C(=O)OC(C)(C)C)ccc2S1(=O)=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(F)(F)(F)(F)F)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)C(F)(F)F)c2c1cc[nH]c2=O
CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCN(C[C@H]3F)C(=O)OC(C)(C)C)ccc2S1(=O)=O |r|
C[C@H]1CN(CC[C@]1(CC#N)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O)C(=O)OC(C)(C)C |r|
C[C@@H]1CN(CC[C@]1(CC#N)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O)C(=O)OC(C)(C)C |r|
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3C(=O)CCc3c2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2cccc(c2)S(C)(=O)=O)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CC[C@@](CC#N)([C@@H](F)C1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CC[C@](CC#N)([C@H](F)C1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CC[C@](CC#N)([C@@H](F)C1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CC[C@@](CC#N)([C@H](F)C1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCN(C[C@H]2F)C(=O)OC(C)(C)C)cc1 |r|
CC(C)(C)OC(=O)N1CC[C@@](CC#N)([C@H](F)C1)n1nc(Nc2ccccc2)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CC[C@@](CC#N)([C@H](F)C1)n1nc(Nc2ccc(cc2)[C@H](O)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CC[C@@](CC#N)([C@H](F)C1)n1nc(Nc2ccc(cc2)[C@@H](O)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CC[C@@](CC#N)([C@H](F)C1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CC[C@@](CC#N)([C@H](F)C1)n1nc(Nc2ccc3c(CN(CC(F)(F)F)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CN(CC(F)(F)F)S3(=O)=O)c2)c2c1cc[nH]c2=O
CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCN(CC3)C(=O)C(C)(F)F)ccc2S1(=O)=O
O=c1[nH]ccc2n(nc(Nc3ccccc3)c12)[C@]1(CC#N)CCCOC1 |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCOC2)cc1 |r|
CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCOC2)cc1 |r|
CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
COC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |r|
COC(=O)[C@H]1CC[C@@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(CNCC(F)(F)F)cc2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)[C@H]1CC[C@@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@H]1CC[C@@](CC#N)(CO1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1 |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(CN(CC(F)(F)F)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CC(CC#N)(C1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CC(CC#N)(C1)n1nc(Nc2ccnc(F)c2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CC(CC#N)(C1)n1nc(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(F)cc2)c2c1cc[nH]c2=O
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1C
CC(C)(C)OC(=O)[C@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)[C@@H](N)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)[C@@H](N)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)[C@H](N)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)[C@H](N)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccccc2)c2c1cc[nH]c2=O |r|
CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CC[C@H](OC3)C(=O)OC(C)(C)C)ccc2S1(=O)=O |r|
CC(C)(C)NS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)C(C)(F)F)cc1
CC(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)C(C)(F)F)cc1
CN(C(C)(C)C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)C(C)(F)F)cc1
CC(F)(F)C(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)C(C)(C)C)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2cc(Cn3cccn3)cc(Cn3cccn3)c2)c2c1cc[nH]c2=O
Cc1cc(C)cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)c1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2cc(Cn3ccnn3)cc(Cn3ccnn3)c2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2cc(Cn3nccn3)cc(Cn3nccn3)c2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2cc(Cn3ccnn3)cc(Cn3nccn3)c2)c2c1cc[nH]c2=O
Cc1cccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)c1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3CNCc3c2)c2c1cc[nH]c2=O
CC(C)CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCN(CC3)C(=O)OC(C)(C)C)ccc2S1(=O)=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CN(CC4CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
CCN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCN(CC3)C(=O)OC(C)(C)C)ccc2S1(=O)=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CN(C)S3(=O)=O)c2)c2c1cc[nH]c2=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O
CCN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCN(CC3)C(=O)OC)ccc2S1(=O)=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CN(CC(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CN(CC4CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CN(CC4CCCC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccnc(F)c2)c2c1cc[nH]c2=O
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCCC2)cc1
CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCCCC3)ccc2S1(=O)=O
CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCCCC3)ccc2S1(=O)=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CCS3(=O)=O)c2)c2c1cc[nH]c2=O
FC(F)(F)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCC3(CC2)OCCO3)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |r|
CC(O)(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F |r|
CC(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |r|
NC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCC2)cc1)C(F)(F)F
CN(C(C)(C)C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1 |r|
CC(C)N(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1 |r|
CCN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1 |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3C(=O)N(CC(F)(F)F)Cc3c2)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(Cn3ccnn3)cc2)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(Cn3nccn3)cc2)c2c1cc[nH]c2=O |r|
CC(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1 |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(=O)(=O)C2CC2)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3C(=O)N(Cc3c2)C(C)(C)C)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3C(=O)N(Cc3c2)C2CCCCC2)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3C(=O)N(Cc3c2)C2CCCC2)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)C(N)C(F)(F)F)c2c1cc[nH]c2=O |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)N3CCC3)c12)[C@]1(CC#N)CCCOC1 |r|
CC1CN(C1)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
CC1(C)CCCN1S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
CC1CCN1S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
CC(O)(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1)C(F)(F)F |r|
CCOC(=O)C(C)(C)C(O)(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1)C(F)(F)F |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)ccc1C(=O)N1CCC(O)(C1)C(F)(F)F |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)ccc1C(=O)N1CC[C@@H](F)C1 |r|
CO[C@H]1CCN(C1)C(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1C |r|
CO[C@@H]1CCN(C1)C(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1C |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)ccc1C(=O)N1CCOCC1 |r|
CC1(C)Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCCOC3)ccc2C1(O)C(F)(F)F |r|
CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCCC3)ccc2S1(=O)=O
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCC2)cc1
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)C#N)c12)C1(CC#N)CCCC1
O=C1OCc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCCC3)ccc12
CC1(C)OC(=O)c2ccc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCCC3)cc12
CC(C)(C)OC(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCC2)cc1
CNC(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCC2)cc1
CC(C)N1Cc2ccc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCCC3)cc2C1
CC(C)NS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCC2)cc1
CNS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCC2)cc1
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)N3CCC3)c12)C1(CC#N)CCCC1
CCS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCC2)cc1
CN(C(C)(C)C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCC2)cc1
CCN(C(C)(C)C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCC2)cc1
CCN(CC)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCC2)cc1
CN(C(C)(C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCC2)cc1
FC(F)(F)CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCCC3)ccc2C1=O
CCOC(=O)C(C)(C)N(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCCC2)cc1
CC(C)(C)OC(=O)C(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCCC3)ccc2C1=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)C(C)(O)C(F)(F)F)c2c1cc[nH]c2=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CCC3(O)C(F)(F)F)c2)c2c1cc[nH]c2=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)C#N)c2c1cc[nH]c2=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(F)cc2)c2c1cc[nH]c2=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)C(F)(F)F)c2c1cc[nH]c2=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3ncccc3c2)c2c1cc[nH]c2=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)C(C)C)c2c1cc[nH]c2=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)C(C)(C)C)c2c1cc[nH]c2=O
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)ccc1C(=O)N1CCOCC1 |r|
F[C@@H]1CCCC[C@]1(CC#N)n1nc(Nc2ccnc(F)c2)c2c1cc[nH]c2=O |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)ccc1C(=O)N1CCC(F)(F)CC1 |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)ccc1C(=O)N1CCSCC1 |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCSC1 |r|
CC1SCCN1C(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1C |r|
CC1CN(CCS1)C(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1C |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCC(O)(C1)C(F)(F)F |r|
CC(C)OC(=O)C(C)(C)C(O)(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1)C(F)(F)F |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(CC(C)(C)C3(O)C(F)(F)F)c2)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)C(O)(C(C)(C)C)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)C(O)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)C(C)(O)C(F)(F)F)c2c1cc[nH]c2=O |r|
COC(C)(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1)C(F)(F)F |r|
CCNC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F |r|
CC(C)NC(C)(C)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |r|
NC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F |r|
CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCCOC3)ccc2S1(=O)=O |r|
CC(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)COCC[C@@H]2F)cc1 |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)COCC[C@H]2F)cc1 |r|
CN(C(C)(C)C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
CC(C)(C)NS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
CC(C)(C)OC(=O)CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCCOC3)ccc2S1(=O)=O |r|
CC(C)(C)OC(=O)CC(C)(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
NC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1)C(F)(F)F |r|
CC(C)(C)NC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1)C(F)(F)F |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)C3CCCC3)c12)[C@]1(CC#N)CCCOC1 |r|
CC(C)C(C)(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)C3CCCCC3)c12)[C@]1(CC#N)CCCOC1 |r|
CC(C)(C)NC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1)C(F)(F)F |r|
CCC(C)(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
O=C1N(Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCCOC3)ccc12)C1CCCC1 |r|
FC(F)(F)C(N1CCCC1)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
CC(N1CCCC1)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
CC1(C)CCCC1S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c2c1cc[nH]c2=O |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)c12)[C@]1(CC#N)CCCOC1 |r|
CC(C)NC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1)C(F)(F)F |r|
CCNC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1)C(F)(F)F |r|
CC(C)NC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1)C(F)(F)F |r|
CC(N1CCCC1)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1 |r|
CN(C)C(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1)C(F)(F)F |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3ncccc3c2)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3nc(ccc3c2)C#N)c2c1cc[nH]c2=O |r|
Cc1ccc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CC[C@H](OC3)C(=O)OC(C)(C)C)ccc2n1 |r|
Cc1cc(C)n(n1)-c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1 |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)ccc1-n1cccn1 |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCOC(C)(C)C1 |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2cnc3ccccc3c2)c2c1cc[nH]c2=O |r|
CN(C)c1ccc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CC[C@H](OC3)C(=O)OC(C)(C)C)ccc2n1 |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3nc(ccc3c2)C(N)=O)c2c1cc[nH]c2=O |r|
FC(F)(F)C1(CC1)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
CN(C)c1ccc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCCOC3)ccc2n1 |r|
Cc1ccc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCCOC3)ccc2n1 |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3nc(ccc3c2)N2CCOCC2)c2c1cc[nH]c2=O |r|
C[C@H]1CN(CCO1)c1ccc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CC[C@H](OC3)C(=O)OC(C)(C)C)ccc2n1 |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3nc(ccc3c2)N2CC3CCC(C2)O3)c2c1cc[nH]c2=O |r|
CC(C)S(=N)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1 |r|
CC(C)S(=N)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1 |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(=O)(=O)C(C)(C)C)c2c1cc[nH]c2=O |r|
CN(C)C(=O)c1ccc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CC[C@H](OC3)C(=O)OC(C)(C)C)ccc2n1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)C#N)c12)[C@]1(CC#N)CCOC1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)C#N)c12)[C@@]1(CC#N)CCOC1 |r|
Clc1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCOC2)cc1 |r|
Clc1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCOC2)cc1 |r|
Fc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCOC2)cc2c(Cl)ccnc12 |r|
Fc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCOC2)cc2c(Cl)ccnc12 |r|
Fc1ccnc2ccc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC3)cc12 |r|
Fc1ccnc2ccc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCOC3)cc12 |r|
CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCOC3)ccc2S1(=O)=O |r|
CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC3)ccc2S1(=O)=O |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCOC2)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCOC2)cc1 |r|
CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCOCC3)ccc2S1(=O)=O
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCOCC2)cc1
CN(C(C)(C)C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCOCC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCOCC2)cc1
CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCOC[C@H]3F)ccc2S1(=O)=O |r|
CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2S1(=O)=O |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCOC[C@H]2F)ccc1C(=O)N1CCOCC1 |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCOC[C@@H]2F)ccc1C(=O)N1CCOCC1 |r|
CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2C1=O |r|
CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCOC[C@H]3F)ccc2C1=O |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCOC[C@H]2F)ccc1C(=O)N1CCSCC1 |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCOC[C@@H]2F)ccc1C(=O)N1CCSCC1 |r|
F[C@@H]1COCC[C@]1(CC#N)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
F[C@@H]1COCC[C@]1(CC#N)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)N[C@H](c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCOC[C@H]2F)cc1)C(F)(F)F |r|
CC(C)(C)N[C@@H](c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCOC[C@H]2F)cc1)C(F)(F)F |r|
CC(C)(C)N[C@H](c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCOC[C@@H]2F)cc1)C(F)(F)F |r|
CC(C)(C)N[C@@H](c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCOC[C@@H]2F)cc1)C(F)(F)F |r|
F[C@@H]1COCC[C@]1(CC#N)n1nc(Nc2ccc3c(CN(C4CCNCC4)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc3c(CN(C4CCNCC4)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
CC(C)NC(C)(C)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCN(C[C@H]2F)C(=O)OC(C)(C)C)cc1 |r|
CC(C)NC(C)(C)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1 |r|
COC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCN(C[C@H]2F)C(=O)OC(C)(C)C)cc1)C(F)(F)F |r|
CC(C)NC(C)(C)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc3c(CN(C4CCN(CC(F)(F)F)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
F[C@@H]1COCC[C@]1(CC#N)n1nc(Nc2ccc3c(CN(C4CCN(CC(F)(F)F)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCN(C[C@H]2F)C(=O)OC(C)(C)C)ccc1C(=O)N1CCSCC1 |r|
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)C2(CCN(Cc3ccccc3)C2)C(F)(F)F)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)C2(CCNC2)C(F)(F)F)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)C2(CCNC2)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)C2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)NS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)NCc2ccccc2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)NCC2CC2)c2c1cc[nH]c2=O
COCCNS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)NC2CCCCC2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c2c1cc[nH]c2=O
CC(C)NS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCNCC2)cc1F
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(c(F)c2)S(=O)(=O)NCC2CC2)c2c1cc[nH]c2=O
Fc1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCNCC2)cc1
Fc1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)C2CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3ccccc3)CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3ccc(C)cc3)CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1
CC(C)c1ccc(CN2CCC(CC#N)(CC2)n2nc(Nc3ccc(cc3)S(=O)(=O)N(C)C)c3c2cc[nH]c3=O)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3ccc(cc3)C#N)CC2)cc1
CC(C)Oc1ccc(CN2CCC(CC#N)(CC2)n2nc(Nc3ccc(cc3)S(=O)(=O)N(C)C)c3c2cc[nH]c3=O)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3ccc(F)cc3)CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3cccc(F)c3)CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3ccccc3F)CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3c(F)cccc3F)CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3c(F)ccc(F)c3F)CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3ncco3)CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3ccc(cc3)-c3ccon3)CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3ccc(cc3)N3CCCC3=O)CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CCCc3ccccc3)CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3cccc4[nH]ccc34)CC2)cc1
CC(N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O)c1c(F)cccc1F
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CCc3ccccc3)CC2)cc1
CN(C)S(=O)(=O)c1cccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(Cc3cccnc3)CC2)c1
CCC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)CC(F)(F)F)cc1
COCC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O
CN(C)CC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)C(C)(C)C)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)C2CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)C2CC(F)(F)C2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)C2CCCCC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)C23CC4C[C@H](C[C@H](C4)C2)C3)cc1 |r,TLB:39:38:41:35.33.34,THB:40:38:35:32.41.33,40:32:37.38.39:35|
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)CC2CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)CCC2CC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)c2ccccc2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)c2ccc(Cl)cc2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)c2cccc(Cl)c2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)c2ccccc2Cl)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)Cc2ccc(cc2)C(F)(F)F)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)CCc2ccccc2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)C2Cc3ccccc3C2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)CN2CCCC2=O)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)C2CCOCC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)CCC(F)(F)F)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)CCC#N)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)CC(C)(C)C)cc1
CSC(C)C(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)CC#N)cc1
COC(=O)N1CCC(C(CC#N)C1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)Oc2ccccc2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)Oc2ccc(F)cc2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OCC(C)(C)C)cc1
CCOC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O
CC(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O
COCCOC(=O)N1CCC(C(CC#N)C1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O
C[C@@H]1CCCC1OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O |r|
CSCCOC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC2CCSCC2)cc1
COCC(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)O[C@@H]2CCOC2)cc1 |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC2CCOCC2)cc1
CC(OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O)C(F)(F)F
CC(OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O)c1ccccn1
CC(OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O)C#N
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC2CCOC2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OCC(F)(F)F)cc1
CC(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccnc(F)c2)c2c1cc[nH]c2=O
COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccnc(F)c2)c2c1cc[nH]c2=O
CN(C)S(=O)(=O)c1ccc(Nc2nn(C3CCN(CC3CC#N)S(=O)(=O)CC(F)(F)F)c3cc[nH]c(=O)c23)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)S(=O)(=O)C2CC2)cc1
CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2cc(ccn2)C(F)(F)F)cc1
CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(cn2)C#N)cc1
FC(F)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(cn2)C#N)cc1
CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(cn2)C(F)(F)F)cc1
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(cn2)C#N)ccc1C(=O)N1CCSCC1
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCN(CC2F)c2ccc(cn2)C#N)ccc1C(=O)N1CCSCC1 |r|
CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(I)cn2)cc1
CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(Br)cn2)cc1
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2cc(ccn2)C(F)(F)F)ccc1C(=O)N1CCSCC1
O[C@H](c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2cc(ccn2)C(F)(F)F)cc1)C(F)(F)F |r|
O[C@@H](c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2cc(ccn2)C(F)(F)F)cc1)C(F)(F)F |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2cc(ccn2)C(F)(F)F)ccc1C(=O)N1CCC(F)(F)CC1
CC(F)(F)C(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O
FC1CN(C1)[C@H]1CC[C@](CC#N)(CC1)n1nc(Nc2ccc(cc2)C(F)(F)F)c2c1cc[nH]c2=O |r,wU:8.15,5.5,(3.44,-8.53,;3.04,-10.02,;3.81,-11.35,;2.48,-12.12,;1.71,-10.79,;2.08,-13.61,;3.17,-14.7,;2.77,-16.19,;1.28,-16.58,;1.94,-17.98,;1.05,-19.24,;.17,-20.5,;.2,-15.49,;.59,-14.01,;-.2,-16.98,;-.83,-18.39,;-2.36,-18.23,;-3.45,-19.32,;-3.05,-20.8,;-4.14,-21.89,;-3.74,-23.38,;-2.24,-23.83,;-1.17,-22.69,;-1.56,-21.2,;-1.84,-25.32,;-1.44,-26.81,;-3.33,-25.72,;-.35,-24.92,;-2.68,-16.72,;-1.35,-15.95,;-1.35,-14.41,;-2.68,-13.64,;-4.01,-14.41,;-4.01,-15.95,;-5.35,-16.72,)|
FC(F)(F)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@@H](CC2)Nc2ccccc2)cc1 |r,wU:19.20,25.30,(-2.24,-8.51,;-2.64,-7.03,;-4.13,-7.42,;-1.15,-6.63,;-3.04,-5.54,;-4.54,-5.09,;-4.94,-3.6,;-3.85,-2.51,;-4.25,-1.02,;-3.16,.07,;-1.63,-.09,;-1,1.31,;-2.14,2.34,;-2.14,3.88,;-3.48,4.65,;-4.81,3.88,;-4.81,2.34,;-6.15,1.57,;-3.48,1.57,;.49,1.71,;-.77,.83,;-.64,-.71,;-.51,-2.24,;1.97,2.11,;2.37,3.6,;1.28,4.69,;-.2,4.29,;-.6,2.8,;1.68,6.17,;3.17,6.57,;4.26,5.48,;5.75,5.88,;6.15,7.37,;5.06,8.46,;3.57,8.06,;-2.36,-2.91,;-1.96,-4.4,)|
FC(F)(F)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CC[C@@H](CC2)Nc2ccccc2)cc1 |r,wU:19.20,wD:25.30,(-2.24,-8.51,;-2.64,-7.03,;-4.13,-7.42,;-1.15,-6.63,;-3.04,-5.54,;-4.54,-5.09,;-4.94,-3.6,;-3.85,-2.51,;-4.25,-1.02,;-3.16,.07,;-1.63,-.09,;-1,1.31,;-2.14,2.34,;-2.14,3.88,;-3.48,4.65,;-4.81,3.88,;-4.81,2.34,;-6.15,1.57,;-3.48,1.57,;.49,1.71,;-.77,.83,;-.64,-.71,;-.51,-2.24,;-.6,2.8,;-.2,4.29,;1.28,4.69,;2.37,3.6,;1.97,2.11,;1.68,6.17,;3.17,6.57,;4.26,5.48,;5.75,5.88,;6.15,7.37,;5.06,8.46,;3.57,8.06,;-2.36,-2.91,;-1.96,-4.4,)|
OC1CC[C@](CC#N)(CC1)n1nc(Nc2ccc(cc2)C(F)(F)F)c2c1cc[nH]c2=O |r,wU:4.10,(2.48,7.32,;2.08,5.83,;3.17,4.74,;2.77,3.25,;1.28,2.85,;.02,1.97,;.16,.44,;.29,-1.1,;.2,3.94,;.59,5.43,;-.2,2.46,;-.83,1.05,;-2.36,1.21,;-3.45,.12,;-3.05,-1.37,;-4.14,-2.46,;-3.74,-3.94,;-2.24,-4.4,;-1.17,-3.25,;-1.56,-1.77,;-1.84,-5.88,;-1.44,-7.37,;-3.33,-6.28,;-.35,-5.48,;-2.68,2.72,;-1.35,3.49,;-1.35,5.03,;-2.68,5.8,;-4.01,5.03,;-4.01,3.49,;-5.35,2.72,)|
FC1CN(C1)[C@H]1CC[C@@](CC#N)(CC1)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r,wU:8.15,wD:5.5,(3.44,8.37,;3.04,6.88,;3.81,5.55,;2.48,4.78,;1.71,6.11,;2.08,3.29,;.59,2.89,;.2,1.4,;1.28,.31,;.02,-.57,;.16,-2.1,;.29,-3.64,;2.77,.71,;3.17,2.2,;-.2,-.08,;-.83,-1.49,;-2.36,-1.33,;-3.45,-2.42,;-3.05,-3.91,;-4.14,-5,;-3.74,-6.48,;-2.25,-6.88,;-1.86,-8.37,;-1.17,-5.79,;-1.56,-4.3,;-2.68,.18,;-1.35,.95,;-1.35,2.49,;-2.68,3.26,;-4.01,2.49,;-4.01,.95,;-5.35,.18,)|
FC1CN(C1)[C@H]1CC[C@](CC#N)(CC1)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r,wU:8.15,5.5,(3.44,8.37,;3.04,6.88,;3.81,5.55,;2.48,4.78,;1.71,6.11,;2.08,3.29,;3.17,2.2,;2.77,.71,;1.28,.31,;.02,-.57,;.16,-2.1,;.29,-3.64,;.2,1.4,;.59,2.89,;-.2,-.08,;-.83,-1.49,;-2.36,-1.33,;-3.45,-2.42,;-3.05,-3.91,;-4.14,-5,;-3.74,-6.48,;-2.25,-6.88,;-1.86,-8.37,;-1.17,-5.79,;-1.56,-4.3,;-2.68,.18,;-1.35,.95,;-1.35,2.49,;-2.68,3.26,;-4.01,2.49,;-4.01,.95,;-5.35,.18,)|
COC1CN(C1)[C@H]1CC[C@@](CC#N)(CC1)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r,wU:9.16,wD:6.6,(4.93,8.57,;3.44,8.17,;3.04,6.68,;3.81,5.35,;2.48,4.58,;1.71,5.91,;2.08,3.09,;.59,2.69,;.2,1.2,;1.28,.12,;.02,-.77,;.16,-2.3,;.29,-3.84,;2.77,.51,;3.17,2,;-.2,-.28,;-.83,-1.69,;-2.36,-1.53,;-3.45,-2.62,;-3.05,-4.11,;-4.14,-5.19,;-3.74,-6.68,;-2.25,-7.08,;-1.86,-8.57,;-1.17,-5.99,;-1.56,-4.5,;-2.68,-.02,;-1.35,.75,;-1.35,2.29,;-2.68,3.06,;-4.01,2.29,;-4.01,.75,;-5.35,-.02,)|
COC1CN(C1)[C@H]1CC[C@](CC#N)(CC1)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r,wU:9.16,6.6,(4.93,8.57,;3.44,8.17,;3.04,6.68,;3.81,5.35,;2.48,4.58,;1.71,5.91,;2.08,3.09,;3.17,2,;2.77,.51,;1.28,.12,;.02,-.77,;.16,-2.3,;.29,-3.84,;.2,1.2,;.59,2.69,;-.2,-.28,;-.83,-1.69,;-2.36,-1.53,;-3.45,-2.62,;-3.05,-4.11,;-4.14,-5.19,;-3.74,-6.68,;-2.25,-7.08,;-1.86,-8.57,;-1.17,-5.99,;-1.56,-4.5,;-2.68,-.02,;-1.35,.75,;-1.35,2.29,;-2.68,3.06,;-4.01,2.29,;-4.01,.75,;-5.35,-.02,)|
FC(F)(F)CN[C@H]1CC[C@](CC#N)(CC1)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r,wU:9.15,6.5,(4.37,9.75,;3.97,8.26,;5.46,7.86,;2.48,8.66,;3.57,6.77,;2.08,6.37,;1.68,4.89,;2.77,3.8,;2.37,2.31,;.89,1.91,;-.38,1.03,;-.24,-.51,;-.11,-2.04,;-.2,3,;.2,4.49,;-.6,1.51,;-1.23,.11,;-2.76,.27,;-3.85,-.82,;-3.45,-2.31,;-4.54,-3.4,;-4.14,-4.89,;-2.65,-5.28,;-2.25,-6.77,;-1.56,-4.2,;-1.96,-2.71,;-3.08,1.77,;-1.75,2.54,;-1.75,4.08,;-3.08,4.85,;-4.41,4.08,;-4.41,2.54,;-5.75,1.77,)|
FC(F)(F)CN[C@H]1CC[C@@](CC#N)(CC1)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r,wU:9.15,wD:6.5,(4.37,9.75,;3.97,8.26,;5.46,7.86,;2.48,8.66,;3.57,6.77,;2.08,6.37,;1.68,4.89,;.2,4.49,;-.2,3,;.89,1.91,;-.38,1.03,;-.24,-.51,;-.11,-2.04,;2.37,2.31,;2.77,3.8,;-.6,1.51,;-1.23,.11,;-2.76,.27,;-3.85,-.82,;-3.45,-2.31,;-4.54,-3.4,;-4.14,-4.89,;-2.65,-5.28,;-2.25,-6.77,;-1.56,-4.2,;-1.96,-2.71,;-3.08,1.77,;-1.75,2.54,;-1.75,4.08,;-3.08,4.85,;-4.41,4.08,;-4.41,2.54,;-5.75,1.77,)|
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Clc1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@@H](CC2)Nc2ccccc2)cc1 |r,wU:16.17,22.27,(-2.65,-7.72,;-3.05,-6.23,;-4.54,-5.83,;-4.94,-4.34,;-3.85,-3.25,;-4.25,-1.77,;-3.16,-.68,;-1.63,-.84,;-1,.57,;-2.14,1.6,;-2.14,3.14,;-3.48,3.91,;-4.81,3.14,;-4.81,1.6,;-6.15,.83,;-3.48,.83,;.49,.97,;-.77,.08,;-.64,-1.45,;-.51,-2.98,;1.97,1.37,;2.37,2.85,;1.28,3.94,;-.2,3.54,;-.6,2.06,;1.68,5.43,;3.17,5.83,;4.26,4.74,;5.75,5.14,;6.15,6.63,;5.06,7.72,;3.57,7.32,;-2.36,-3.65,;-1.96,-5.14,)|
Clc1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CC[C@@H](CC2)Nc2ccccc2)cc1 |r,wU:16.17,wD:22.27,(-2.65,-7.72,;-3.05,-6.23,;-4.54,-5.83,;-4.94,-4.34,;-3.85,-3.25,;-4.25,-1.77,;-3.16,-.68,;-1.63,-.84,;-1,.57,;-2.14,1.6,;-2.14,3.14,;-3.48,3.91,;-4.81,3.14,;-4.81,1.6,;-6.15,.83,;-3.48,.83,;.49,.97,;-.77,.08,;-.64,-1.45,;-.51,-2.98,;-.6,2.06,;-.2,3.54,;1.28,3.94,;2.37,2.85,;1.97,1.37,;1.68,5.43,;3.17,5.83,;4.26,4.74,;5.75,5.14,;6.15,6.63,;5.06,7.72,;3.57,7.32,;-2.36,-3.65,;-1.96,-5.14,)|
COC1CN(C1)[C@H]1CC[C@](CC#N)(CC1)n1nc(Nc2ccc(OC(F)(F)F)cc2)c2c1cc[nH]c2=O |r,wU:9.16,6.6,(4.93,9.51,;3.44,9.11,;3.04,7.62,;3.81,6.29,;2.48,5.52,;1.71,6.85,;2.08,4.03,;3.17,2.94,;2.77,1.46,;1.28,1.06,;.02,.18,;.16,-1.36,;.29,-2.89,;.2,2.15,;.59,3.64,;-.2,.66,;-.83,-.75,;-2.36,-.59,;-3.45,-1.67,;-3.05,-3.16,;-4.14,-4.25,;-3.74,-5.74,;-2.25,-6.14,;-1.86,-7.62,;-2.94,-8.71,;-4.03,-9.8,;-4.03,-7.62,;-1.86,-9.8,;-1.17,-5.05,;-1.56,-3.56,;-2.68,.92,;-1.35,1.69,;-1.35,3.23,;-2.68,4,;-4.01,3.23,;-4.01,1.69,;-5.35,.92,)|
COC1CN(C1)[C@H]1CC[C@@](CC#N)(CC1)n1nc(Nc2ccc(OC(F)(F)F)cc2)c2c1cc[nH]c2=O |r,wU:9.16,wD:6.6,(4.93,9.51,;3.44,9.11,;3.04,7.62,;3.81,6.29,;2.48,5.52,;1.71,6.85,;2.08,4.03,;.59,3.64,;.2,2.15,;1.28,1.06,;.02,.18,;.16,-1.36,;.29,-2.89,;2.77,1.46,;3.17,2.94,;-.2,.66,;-.83,-.75,;-2.36,-.59,;-3.45,-1.67,;-3.05,-3.16,;-4.14,-4.25,;-3.74,-5.74,;-2.25,-6.14,;-1.86,-7.62,;-2.94,-8.71,;-4.03,-9.8,;-4.03,-7.62,;-1.86,-9.8,;-1.17,-5.05,;-1.56,-3.56,;-2.68,.92,;-1.35,1.69,;-1.35,3.23,;-2.68,4,;-4.01,3.23,;-4.01,1.69,;-5.35,.92,)|
FC(F)(F)Oc1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@@H](CC2)Nc2ccccc2)cc1 |r,wU:20.21,26.31,(-4.83,-8.95,;-3.74,-7.86,;-4.83,-6.77,;-2.65,-8.95,;-2.65,-6.77,;-3.05,-5.28,;-4.54,-4.89,;-4.94,-3.4,;-3.85,-2.31,;-4.25,-.82,;-3.16,.27,;-1.63,.11,;-1,1.51,;-2.14,2.54,;-2.14,4.08,;-3.48,4.85,;-4.81,4.08,;-4.81,2.54,;-6.15,1.77,;-3.48,1.77,;.49,1.91,;-.77,1.03,;-.64,-.51,;-.51,-2.04,;1.97,2.31,;2.37,3.8,;1.28,4.89,;-.2,4.49,;-.6,3,;1.68,6.37,;3.17,6.77,;4.26,5.68,;5.75,6.08,;6.15,7.57,;5.06,8.66,;3.57,8.26,;-2.36,-2.71,;-1.96,-4.2,)|
FC(F)(F)Oc1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CC[C@@H](CC2)Nc2ccccc2)cc1 |r,wU:20.21,wD:26.31,(-4.83,-8.95,;-3.74,-7.86,;-4.83,-6.77,;-2.65,-8.95,;-2.65,-6.77,;-3.05,-5.28,;-4.54,-4.89,;-4.94,-3.4,;-3.85,-2.31,;-4.25,-.82,;-3.16,.27,;-1.63,.11,;-1,1.51,;-2.14,2.54,;-2.14,4.08,;-3.48,4.85,;-4.81,4.08,;-4.81,2.54,;-6.15,1.77,;-3.48,1.77,;.49,1.91,;-.77,1.03,;-.64,-.51,;-.51,-2.04,;-.6,3,;-.2,4.49,;1.28,4.89,;2.37,3.8,;1.97,2.31,;1.68,6.37,;3.17,6.77,;4.26,5.68,;5.75,6.08,;6.15,7.57,;5.06,8.66,;3.57,8.26,;-2.36,-2.71,;-1.96,-4.2,)|
FC(F)(F)Oc1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CC[C@@H](CC2)NC2CCCCC2)cc1 |r,wU:20.21,wD:26.31,(-4.83,-8.95,;-3.74,-7.86,;-4.83,-6.77,;-2.65,-8.95,;-2.65,-6.77,;-3.05,-5.28,;-4.54,-4.89,;-4.94,-3.4,;-3.85,-2.31,;-4.25,-.82,;-3.16,.27,;-1.63,.11,;-1,1.51,;-2.14,2.54,;-2.14,4.08,;-3.48,4.85,;-4.81,4.08,;-4.81,2.54,;-6.15,1.77,;-3.48,1.77,;.49,1.91,;-.77,1.03,;-.64,-.51,;-.51,-2.04,;-.6,3,;-.2,4.49,;1.28,4.89,;2.37,3.8,;1.97,2.31,;1.68,6.37,;3.17,6.77,;4.26,5.68,;5.75,6.08,;6.15,7.57,;5.06,8.66,;3.57,8.26,;-2.36,-2.71,;-1.96,-4.2,)|
FC(F)(F)Oc1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@@H](CC2)NC2CCCCC2)cc1 |r,wU:20.21,26.31,(-4.83,-8.95,;-3.74,-7.86,;-4.83,-6.77,;-2.65,-8.95,;-2.65,-6.77,;-3.05,-5.28,;-4.54,-4.89,;-4.94,-3.4,;-3.85,-2.31,;-4.25,-.82,;-3.16,.27,;-1.63,.11,;-1,1.51,;-2.14,2.54,;-2.14,4.08,;-3.48,4.85,;-4.81,4.08,;-4.81,2.54,;-6.15,1.77,;-3.48,1.77,;.49,1.91,;-.77,1.03,;-.64,-.51,;-.51,-2.04,;1.97,2.31,;2.37,3.8,;1.28,4.89,;-.2,4.49,;-.6,3,;1.68,6.37,;3.17,6.77,;4.26,5.68,;5.75,6.08,;6.15,7.57,;5.06,8.66,;3.57,8.26,;-2.36,-2.71,;-1.96,-4.2,)|
Fc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CC[C@@H](CC2)NC2CCCCC2)ccc1Cl |r,wU:15.16,wD:21.26,(-.47,-5.54,;-1.96,-5.14,;-2.36,-3.65,;-3.85,-3.25,;-4.25,-1.77,;-3.16,-.68,;-1.63,-.84,;-1,.57,;-2.14,1.6,;-2.14,3.14,;-3.48,3.91,;-4.81,3.14,;-4.81,1.6,;-6.15,.83,;-3.48,.83,;.49,.97,;-.77,.08,;-.64,-1.45,;-.51,-2.98,;-.6,2.06,;-.2,3.54,;1.28,3.94,;2.37,2.85,;1.97,1.37,;1.68,5.43,;3.17,5.83,;4.26,4.74,;5.75,5.14,;6.15,6.63,;5.06,7.72,;3.57,7.32,;-4.94,-4.34,;-4.54,-5.83,;-3.05,-6.23,;-2.65,-7.72,)|
Fc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@@H](CC2)NC2CCCCC2)ccc1Cl |r,wU:15.16,21.26,(-.47,-5.54,;-1.96,-5.14,;-2.36,-3.65,;-3.85,-3.25,;-4.25,-1.77,;-3.16,-.68,;-1.63,-.84,;-1,.57,;-2.14,1.6,;-2.14,3.14,;-3.48,3.91,;-4.81,3.14,;-4.81,1.6,;-6.15,.83,;-3.48,.83,;.49,.97,;-.77,.08,;-.64,-1.45,;-.51,-2.98,;1.97,1.37,;2.37,2.85,;1.28,3.94,;-.2,3.54,;-.6,2.06,;1.68,5.43,;3.17,5.83,;4.26,4.74,;5.75,5.14,;6.15,6.63,;5.06,7.72,;3.57,7.32,;-4.94,-4.34,;-4.54,-5.83,;-3.05,-6.23,;-2.65,-7.72,)|
COC1CN(C1)[C@H]1CC[C@](CC#N)(CC1)n1nc(Nc2ccc(Cl)c(F)c2)c2c1cc[nH]c2=O |r,wU:9.16,6.6,(4.93,8.57,;3.44,8.17,;3.04,6.68,;3.81,5.35,;2.48,4.58,;1.71,5.91,;2.08,3.09,;3.17,2,;2.77,.51,;1.28,.12,;.02,-.77,;.16,-2.3,;.29,-3.84,;.2,1.2,;.59,2.69,;-.2,-.28,;-.83,-1.69,;-2.36,-1.53,;-3.45,-2.62,;-3.05,-4.11,;-4.14,-5.19,;-3.74,-6.68,;-2.25,-7.08,;-1.86,-8.57,;-1.17,-5.99,;.32,-6.39,;-1.56,-4.5,;-2.68,-.02,;-1.35,.75,;-1.35,2.29,;-2.68,3.06,;-4.01,2.29,;-4.01,.75,;-5.35,-.02,)|
COC1CN(C1)[C@H]1CC[C@@](CC#N)(CC1)n1nc(Nc2ccc(Cl)c(F)c2)c2c1cc[nH]c2=O |r,wU:9.16,wD:6.6,(4.93,8.57,;3.44,8.17,;3.04,6.68,;3.81,5.35,;2.48,4.58,;1.71,5.91,;2.08,3.09,;.59,2.69,;.2,1.2,;1.28,.12,;.02,-.77,;.16,-2.3,;.29,-3.84,;2.77,.51,;3.17,2,;-.2,-.28,;-.83,-1.69,;-2.36,-1.53,;-3.45,-2.62,;-3.05,-4.11,;-4.14,-5.19,;-3.74,-6.68,;-2.25,-7.08,;-1.86,-8.57,;-1.17,-5.99,;.32,-6.39,;-1.56,-4.5,;-2.68,-.02,;-1.35,.75,;-1.35,2.29,;-2.68,3.06,;-4.01,2.29,;-4.01,.75,;-5.35,-.02,)|
Fc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@@H](CC2)Nc2ccccc2)ccc1Cl |r,wU:15.16,21.26,(-.47,-5.54,;-1.96,-5.14,;-2.36,-3.65,;-3.85,-3.25,;-4.25,-1.77,;-3.16,-.68,;-1.63,-.84,;-1,.57,;-2.14,1.6,;-2.14,3.14,;-3.48,3.91,;-4.81,3.14,;-4.81,1.6,;-6.15,.83,;-3.48,.83,;.49,.97,;-.77,.08,;-.64,-1.45,;-.51,-2.98,;1.97,1.37,;2.37,2.85,;1.28,3.94,;-.2,3.54,;-.6,2.06,;1.68,5.43,;3.17,5.83,;4.26,4.74,;5.75,5.14,;6.15,6.63,;5.06,7.72,;3.57,7.32,;-4.94,-4.34,;-4.54,-5.83,;-3.05,-6.23,;-2.65,-7.72,)|
Fc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CC[C@@H](CC2)Nc2ccccc2)ccc1Cl |r,wU:15.16,wD:21.26,(-.47,-5.54,;-1.96,-5.14,;-2.36,-3.65,;-3.85,-3.25,;-4.25,-1.77,;-3.16,-.68,;-1.63,-.84,;-1,.57,;-2.14,1.6,;-2.14,3.14,;-3.48,3.91,;-4.81,3.14,;-4.81,1.6,;-6.15,.83,;-3.48,.83,;.49,.97,;-.77,.08,;-.64,-1.45,;-.51,-2.98,;-.6,2.06,;-.2,3.54,;1.28,3.94,;2.37,2.85,;1.97,1.37,;1.68,5.43,;3.17,5.83,;4.26,4.74,;5.75,5.14,;6.15,6.63,;5.06,7.72,;3.57,7.32,;-4.94,-4.34,;-4.54,-5.83,;-3.05,-6.23,;-2.65,-7.72,)|
FC(F)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@@H](CC2)N2CC(F)C2)cc1 |r,wD:21.22,27.32,(-6.74,-6.02,;-6.27,-4.55,;-7.3,-3.41,;-4.76,-4.23,;-5.08,-2.73,;-4.44,-5.74,;-3.25,-3.91,;-2.22,-5.06,;-.72,-4.74,;-.24,-3.27,;1.27,-2.95,;1.74,-1.49,;.84,-.24,;1.74,1,;3.21,.53,;4.54,1.3,;5.87,.53,;5.87,-1.01,;4.54,-1.78,;4.54,-3.32,;3.21,-1.01,;1.27,2.47,;2.79,2.68,;3.37,4.11,;3.94,5.54,;-.09,1.74,;-1.4,2.56,;-1.35,4.1,;.01,4.82,;1.32,4.01,;-2.65,4.92,;-4.15,4.57,;-4.5,6.07,;-5.81,6.89,;-3,6.42,;-1.27,-2.13,;-2.78,-2.45,)|
FC(F)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CC[C@@H](CC2)N2CC(F)C2)cc1 |r,wU:27.32,wD:21.22,(-6.74,-6.02,;-6.27,-4.55,;-7.3,-3.41,;-4.76,-4.23,;-5.08,-2.73,;-4.44,-5.74,;-3.25,-3.91,;-2.22,-5.06,;-.72,-4.74,;-.24,-3.27,;1.27,-2.95,;1.74,-1.49,;.84,-.24,;1.74,1,;3.21,.53,;4.54,1.3,;5.87,.53,;5.87,-1.01,;4.54,-1.78,;4.54,-3.32,;3.21,-1.01,;1.27,2.47,;2.79,2.68,;3.37,4.11,;3.94,5.54,;1.32,4.01,;.01,4.82,;-1.35,4.1,;-1.4,2.56,;-.09,1.74,;-2.65,4.92,;-4.15,4.57,;-4.5,6.07,;-5.81,6.89,;-3,6.42,;-1.27,-2.13,;-2.78,-2.45,)|
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CC[C@@H](CC2)N2CC(F)C2)cc1 |r,wU:21.22,wD:27.32,(-1.86,-9.7,;-1.09,-8.37,;.45,-8.37,;-1.86,-7.03,;-.37,-6.64,;-3.34,-7.43,;-2.25,-5.55,;-3.74,-5.15,;-4.14,-3.66,;-3.05,-2.57,;-3.45,-1.08,;-2.36,0,;-.83,-.16,;-.2,1.25,;-1.35,2.28,;-1.35,3.82,;-2.68,4.59,;-4.01,3.82,;-4.01,2.28,;-5.35,1.51,;-2.68,1.51,;1.28,1.65,;.02,.77,;.16,-.77,;.29,-2.3,;.2,2.74,;.59,4.23,;2.08,4.62,;3.17,3.53,;2.77,2.05,;2.48,6.11,;3.81,6.88,;3.04,8.21,;3.44,9.7,;1.71,7.44,;-1.56,-2.97,;-1.17,-4.46,)|
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@@H](CC2)N2CC(F)C2)cc1 |r,wU:21.22,27.32,(-1.86,-9.7,;-1.09,-8.37,;.45,-8.37,;-1.86,-7.03,;-.37,-6.64,;-3.34,-7.43,;-2.25,-5.55,;-3.74,-5.15,;-4.14,-3.66,;-3.05,-2.57,;-3.45,-1.08,;-2.36,0,;-.83,-.16,;-.2,1.25,;-1.35,2.28,;-1.35,3.82,;-2.68,4.59,;-4.01,3.82,;-4.01,2.28,;-5.35,1.51,;-2.68,1.51,;1.28,1.65,;.02,.77,;.16,-.77,;.29,-2.3,;2.77,2.05,;3.17,3.53,;2.08,4.62,;.59,4.23,;.2,2.74,;2.48,6.11,;3.81,6.88,;3.04,8.21,;3.44,9.7,;1.71,7.44,;-1.56,-2.97,;-1.17,-4.46,)|
CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CC[C@@H](CC3)N3CC(F)C3)ccc2S1(=O)=O |r,wU:17.18,23.28,(1.9,-7.72,;.57,-6.95,;.57,-5.41,;-.89,-4.93,;-1.52,-3.52,;-3.05,-3.36,;-3.45,-1.88,;-2.36,-.79,;-.83,-.95,;-.2,.46,;-1.35,1.49,;-1.35,3.03,;-2.68,3.8,;-4.01,3.03,;-4.01,1.49,;-5.35,.72,;-2.68,.72,;1.28,.86,;.02,-.03,;.16,-1.56,;.29,-3.09,;2.77,1.26,;3.17,2.74,;2.08,3.83,;.59,3.43,;.2,1.95,;2.48,5.32,;3.81,6.09,;3.04,7.42,;3.44,8.91,;1.71,6.65,;-3.96,-4.61,;-3.33,-6.02,;-1.8,-6.18,;-.89,-7.42,;-1.98,-8.51,;-.49,-8.91,)|
CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CC[C@@H](CC3)N3CC(F)C3)ccc2S1(=O)=O |r,wU:17.18,wD:23.28,(1.9,-7.72,;.57,-6.95,;.57,-5.41,;-.89,-4.93,;-1.52,-3.52,;-3.05,-3.36,;-3.45,-1.88,;-2.36,-.79,;-.83,-.95,;-.2,.46,;-1.35,1.49,;-1.35,3.03,;-2.68,3.8,;-4.01,3.03,;-4.01,1.49,;-5.35,.72,;-2.68,.72,;1.28,.86,;.02,-.03,;.16,-1.56,;.29,-3.09,;.2,1.95,;.59,3.43,;2.08,3.83,;3.17,2.74,;2.77,1.26,;2.48,5.32,;3.81,6.09,;3.04,7.42,;3.44,8.91,;1.71,6.65,;-3.96,-4.61,;-3.33,-6.02,;-1.8,-6.18,;-.89,-7.42,;-1.98,-8.51,;-.49,-8.91,)|
CN(C)[C@H]1CC[C@](CC#N)(CC1)n1nc(Nc2ccc3c(CN(C)S3(=O)=O)c2)c2c1cc[nH]c2=O |r,wU:6.12,3.2,(1.39,7.66,;2.48,6.57,;3.97,6.97,;2.08,5.08,;3.17,3.99,;2.77,2.51,;1.28,2.11,;.02,1.22,;.16,-.31,;.29,-1.84,;.2,3.2,;.59,4.68,;-.2,1.71,;-.83,.3,;-2.36,.46,;-3.45,-.63,;-3.05,-2.11,;-3.96,-3.36,;-3.33,-4.77,;-1.8,-4.93,;-.89,-3.68,;.57,-4.16,;.57,-5.7,;1.9,-6.47,;-.89,-6.17,;-1.98,-7.26,;-.49,-7.66,;-1.52,-2.27,;-2.68,1.97,;-1.35,2.74,;-1.35,4.28,;-2.68,5.05,;-4.01,4.28,;-4.01,2.74,;-5.35,1.97,)|
CN(C)[C@H]1CC[C@@](CC#N)(CC1)n1nc(Nc2ccc3c(CN(C)S3(=O)=O)c2)c2c1cc[nH]c2=O |r,wU:6.12,wD:3.2,(1.39,7.66,;2.48,6.57,;3.97,6.97,;2.08,5.08,;.59,4.68,;.2,3.2,;1.28,2.11,;.02,1.22,;.16,-.31,;.29,-1.84,;2.77,2.51,;3.17,3.99,;-.2,1.71,;-.83,.3,;-2.36,.46,;-3.45,-.63,;-3.05,-2.11,;-3.96,-3.36,;-3.33,-4.77,;-1.8,-4.93,;-.89,-3.68,;.57,-4.16,;.57,-5.7,;1.9,-6.47,;-.89,-6.17,;-1.98,-7.26,;-.49,-7.66,;-1.52,-2.27,;-2.68,1.97,;-1.35,2.74,;-1.35,4.28,;-2.68,5.05,;-4.01,4.28,;-4.01,2.74,;-5.35,1.97,)|
CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CC[C@@H](CC3)N3CC(F)C3)ccc2S1(=O)=O |r,wU:20.21,wD:26.31,(1.26,-9.22,;1.66,-7.73,;3.15,-7.33,;2.75,-8.82,;.57,-6.64,;.57,-5.1,;-.89,-4.63,;-1.52,-3.22,;-3.05,-3.06,;-3.45,-1.57,;-2.36,-.48,;-.83,-.64,;-.2,.77,;-1.35,1.8,;-1.35,3.34,;-2.68,4.11,;-4.01,3.34,;-4.01,1.8,;-5.35,1.03,;-2.68,1.03,;1.28,1.16,;.02,.28,;.16,-1.25,;.29,-2.79,;.2,2.25,;.59,3.74,;2.08,4.14,;3.17,3.05,;2.77,1.56,;2.48,5.63,;3.81,6.4,;3.04,7.73,;3.44,9.22,;1.71,6.96,;-3.96,-4.3,;-3.33,-5.71,;-1.8,-5.87,;-.89,-7.12,;-1.98,-8.21,;-.49,-8.6,)|
CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CC[C@@H](CC3)N3CC(F)C3)ccc2S1(=O)=O |r,wU:20.21,26.31,(1.26,-9.22,;1.66,-7.73,;3.15,-7.33,;2.75,-8.82,;.57,-6.64,;.57,-5.1,;-.89,-4.63,;-1.52,-3.22,;-3.05,-3.06,;-3.45,-1.57,;-2.36,-.48,;-.83,-.64,;-.2,.77,;-1.35,1.8,;-1.35,3.34,;-2.68,4.11,;-4.01,3.34,;-4.01,1.8,;-5.35,1.03,;-2.68,1.03,;1.28,1.16,;.02,.28,;.16,-1.25,;.29,-2.79,;2.77,1.56,;3.17,3.05,;2.08,4.14,;.59,3.74,;.2,2.25,;2.48,5.63,;3.81,6.4,;3.04,7.73,;3.44,9.22,;1.71,6.96,;-3.96,-4.3,;-3.33,-5.71,;-1.8,-5.87,;-.89,-7.12,;-1.98,-8.21,;-.49,-8.6,)|
CN(C)[C@H]1CC[C@@](CC#N)(CC1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O |r,wU:6.12,wD:3.2,(1.39,7.97,;2.48,6.88,;3.97,7.28,;2.08,5.39,;.59,4.99,;.2,3.5,;1.28,2.41,;.02,1.53,;.16,-0,;.29,-1.54,;2.77,2.81,;3.17,4.3,;-.2,2.02,;-.83,.61,;-2.36,.77,;-3.45,-.32,;-3.05,-1.81,;-3.96,-3.05,;-3.33,-4.46,;-1.8,-4.62,;-.89,-3.37,;.57,-3.85,;.57,-5.39,;1.66,-6.48,;1.26,-7.97,;3.15,-6.08,;2.75,-7.57,;-.89,-5.87,;-1.98,-6.95,;-.49,-7.35,;-1.52,-1.97,;-2.68,2.28,;-1.35,3.05,;-1.35,4.59,;-2.68,5.36,;-4.01,4.59,;-4.01,3.05,;-5.35,2.28,)|
CN(C)[C@H]1CC[C@](CC#N)(CC1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O |r,wU:6.12,3.2,(1.39,7.97,;2.48,6.88,;3.97,7.28,;2.08,5.39,;3.17,4.3,;2.77,2.81,;1.28,2.41,;.02,1.53,;.16,-0,;.29,-1.54,;.2,3.5,;.59,4.99,;-.2,2.02,;-.83,.61,;-2.36,.77,;-3.45,-.32,;-3.05,-1.81,;-3.96,-3.05,;-3.33,-4.46,;-1.8,-4.62,;-.89,-3.37,;.57,-3.85,;.57,-5.39,;1.66,-6.48,;1.26,-7.97,;3.15,-6.08,;2.75,-7.57,;-.89,-5.87,;-1.98,-6.95,;-.49,-7.35,;-1.52,-1.97,;-2.68,2.28,;-1.35,3.05,;-1.35,4.59,;-2.68,5.36,;-4.01,4.59,;-4.01,3.05,;-5.35,2.28,)|
CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCC(=O)CC2)cc1
CC(C)(C)NC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
CN(C(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O)C(C)(C)C |r|
CC(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
Cc1cc(Nc2nn(C3COCC[C@@H]3CC#N)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCC(F)(F)CC1 |r|
C[C@H]1CCCCN1C(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1C |r|
C[C@@H]1CCCCN1C(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)cc1C |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCCOC2)ccc1C(=O)N1CCC(C)(O)CC1 |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCOCC1 |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCSCC1 |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCCC1 |r|
CC1COCCN1C(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1C |r|
CC1CN(CCO1)C(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1C |r|
CC1CN(CC(C)O1)C(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1C |r|
CCN(CC(F)(F)F)C(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1C |r|
CN(CC(F)(F)F)C(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1C |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)ccc1C(=O)N1C[C@@H]2C[C@H]1CO2 |r|
Cc1nc2ccc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CC[C@H](OC3)C(=O)OC(C)(C)C)cc2s1 |r|
CC1(C)C(=O)Nc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCCC[C@H]3F)ccc12 |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(NC(=O)C3(C)C)c2)c2c1cc[nH]c2=O |r|
CC1(C)C(=O)Nc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCCOC3)ccc12 |r|
Cc1nc2ccc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCCOC3)cc2s1 |r|
CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccnc(F)c2)c2c1cc[nH]c2=O |r|
CO[C@H](c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1)C(F)(F)F |r|
CO[C@@H](c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1)C(F)(F)F |r|
CO[C@H](c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1)C(F)(F)F |r|
CO[C@@H](c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)cc1)C(F)(F)F |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCC(F)(F)CC1
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CC2CCC(C1)O2
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)ccc1C(=O)N1C2CCC1COC2
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCSCC1
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CN(C4CCN(CC(F)(F)F)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)[C@]2(CCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)[C@@]2(CCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCOCC1
CS(=O)(=O)NC(=O)C1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r|
CN(C)C(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r|
CC(C)(O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r|
CS(=O)(=O)c1ccc(Nc2nn(C3COCC[C@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CS(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
O=c1[nH]ccc2n(nc(Nc3ccccc3)c12)[C@H]1COCC[C@@H]1C#N |r|
CN1Cc2cc(Nc3nn([C@H]4COCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CC(C)(C)N1Cc2cc(Nc3nn([C@H]4COCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)CN1Cc2cc(Nc3nn([C@H]4COCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
NC(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC(C)(C)NS(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CN(C(C)(C)C)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)CN1Cc2ccc(Nc3nn([C@H]4COCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1 |r|
CC(C)N1Cc2ccc(Nc3nn([C@H]4COCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2C1 |r|
COC(=N)c1cc(Nc2nn(C3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1O |r|
COc1cc(Nc2nn(C3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1F |r|
CN(C)C(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC1(C)CCCC(O)(C1)c1ccc(Nc2nn(C3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@@H]3COCCC[C@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn(C3COCCC[C@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@@H]3COCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3CCOCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn(N3CCOCC[C@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)S(=O)(=O)c1ccc(Nc2nn(N3CCOCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
Fc1cc(Nc2nn(C3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccn1 |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)C#N)c12)[C@H]1COCC[C@@H]1C#N |r|
Fc1cc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1C#N |r|
COC(C)(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC1N(C)S(=O)(=O)c2ccc(Nc3nn([C@H]4COCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc12 |r|
Cc1cc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCC(F)(F)CC1 |r|
CN1CCN(CC1)C(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
FC(F)(F)C(N1CCNCC1)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)OC(=O)CNC(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
FC(F)(F)C(N1CCCC1)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)n1nccn1 |r|
CC1(C)CC1NC(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC(C)(C)NC(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC(C)NC(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CCNC(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
FC(F)(F)C(N1CCC1)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(N)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)NC(C)(C)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)OC(=O)CN1Cc2cc(Nc3nn([C@H]4COCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O |r|
CCC(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)C(C)(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CN(C)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cn1 |r|
Cc1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1C |r|
O=c1[nH]ccc2n(nc(Nc3ccc(cc3)S(=O)(=O)N3CCC3)c12)[C@H]1COCC[C@@H]1C#N |r|
CC1CN(C1)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC1(C)CN(CCO1)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC1(C)CCCN1S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC1CN(CCO1)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC1CCN1S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CCN(C(C)(C)C)S(=O)(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)C(NC1CC1)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)(C)CNC(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
FC(F)(F)C(NC1CCCC1)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC1CCCN1C(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
CC(C)CNC(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
FC(F)(F)C(NC1CCC1)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
OC(c1ccncc1)(c1ccc(Nc2nn(C3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
OC(c1ccc(Nc2nn(C3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)(c1ccccn1)C(F)(F)F |r|
FC(F)(F)C1(CCNC1)c1ccc(Nc2nn(C3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CC(C)NC1(C)C(=O)Nc2cc(Nc3nn(C4COCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12 |r|
Cc1nc2ccc(Nc3nn(C4COCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc2s1 |r|
CC1(C)C(=O)Nc2cc(Nc3nn(C4COCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12 |r|
CC(O)(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F |r|
FC(F)(F)C(N1CCSCC1)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
FC(F)(F)C1(CCCCN1)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1 |r|
CS(=O)(=O)c1cc(Nc2nn(C3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1Cl |r|
C[S+]([O-])c1cc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1F |r|
CS(=O)c1cc(Nc2nn([C@H]3COCC[C@@H]3C#N)c3cc[nH]c(=O)c23)ccc1Cl |r|
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(ccc1OC(F)F)[C@@H]1C[C@H]1C#N |r|
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(I)ccc1OC(F)F
CN(C)C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(ccc1OC(F)F)C(F)CF
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(ccc1OC(F)F)C(F)F
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(CC(F)F)ccc1OC(F)F
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Oc2ccc(cc2)C(=O)N(C)C)ccc1OC(F)F
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(CCF)ccc1OC(F)F
CC(C(=O)N(C)C)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Oc2ccc3CCNCc3c2)ccc1OC(F)F
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(C=C)ccc1OC(F)F
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(ccc1OC(F)F)C1CC1
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Br)ccc1OC(F)F
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(OC(F)F)ccc1OC(F)F
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Oc2cccc(c2)C2(O)CN(C)C2)ccc1OC(F)F
COCCCn1nc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)cc1C |r,wU:16.19,13.12,wD:21.22,(-7.05,-7.79,;-5.51,-7.79,;-4.42,-6.7,;-2.93,-7.1,;-1.84,-6.01,;-.36,-6.41,;.55,-5.16,;2.01,-5.64,;3.35,-4.87,;3.35,-3.33,;2.01,-2.56,;2.01,-1.02,;.68,-.25,;.68,1.29,;2.01,2.06,;2.01,3.6,;.68,4.37,;-.65,3.6,;-.65,2.06,;.68,5.91,;-.65,6.68,;-.65,8.22,;.68,8.99,;-1.99,8.99,;-1.99,10.53,;-3.32,8.22,;-3.32,9.76,;3.35,-.25,;4.68,-1.02,;6.14,-.54,;6.54,.94,;7.05,-1.79,;6.14,-3.04,;4.68,-2.56,;2.01,-7.18,;.55,-7.66,;-.22,-8.99,)|
COc1cc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)nn1C |r,wU:13.16,10.9,wD:18.19,(-2.37,-9.48,;-3.14,-8.15,;-2.37,-6.81,;-.84,-6.66,;-.51,-5.15,;.82,-4.38,;.82,-2.84,;-.51,-2.07,;-.51,-.53,;-1.85,.24,;-1.85,1.78,;-.51,2.55,;-.51,4.09,;-1.85,4.86,;-3.18,4.09,;-3.18,2.55,;-1.85,6.4,;-3.18,7.17,;-3.18,8.71,;-1.85,9.48,;-4.51,9.48,;-4.51,11.02,;-5.85,8.71,;-5.85,10.25,;.82,.24,;2.15,-.53,;3.62,-.05,;4.02,1.43,;4.52,-1.3,;3.62,-2.55,;2.15,-2.07,;-1.85,-4.38,;-2.99,-5.4,;-4.52,-5.24,)|
CCn1nc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)cc1C |r,wU:13.16,10.9,wD:18.19,(-5.19,-6.6,;-3.86,-5.83,;-2.33,-5.99,;-1.18,-4.97,;.15,-5.74,;1.49,-4.97,;1.49,-3.43,;.15,-2.66,;.15,-1.12,;-1.18,-.35,;-1.18,1.19,;.15,1.96,;.15,3.5,;-1.18,4.27,;-2.51,3.5,;-2.51,1.96,;-1.18,5.81,;-2.51,6.58,;-2.51,8.12,;-1.18,8.89,;-3.85,8.89,;-3.85,10.43,;-5.18,8.12,;-5.18,9.66,;1.49,-.35,;2.82,-1.12,;4.29,-.64,;4.68,.84,;5.19,-1.89,;4.29,-3.14,;2.82,-2.66,;-.17,-7.25,;-1.7,-7.4,;-2.1,-8.89,)|
Cn1cnc2c(Nc3cc[nH]n3)cc(O[C@H]3CCC(C)(CC3)NC[C@@H](O)C(F)(F)F)cc12 |r,wU:15.15,wD:24.26,(5.26,.52,;4.86,-.97,;5.76,-2.21,;4.86,-3.46,;3.4,-2.98,;2.06,-3.75,;2.06,-5.29,;.73,-6.06,;.4,-7.57,;-1.13,-7.73,;-1.75,-6.32,;-.6,-5.29,;.73,-2.98,;.73,-1.44,;-.61,-.67,;-.61,.87,;-1.94,1.64,;-1.94,3.18,;-.61,3.95,;.16,5.28,;.73,3.18,;.73,1.64,;-1.7,5.55,;-3.19,5.15,;-4.28,6.24,;-3.88,7.73,;-5.76,5.84,;-6.85,6.93,;-6.16,4.35,;-7.25,5.44,;2.06,-.67,;3.4,-1.44,)|
Cc1cc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)F)cc3n(C)cnc23)nn1C |r,wU:12.15,9.8,wD:17.18,(-2.77,-8.89,;-2.37,-7.4,;-.84,-7.25,;-.52,-5.74,;.82,-4.97,;.82,-3.43,;-.52,-2.66,;-.52,-1.12,;-1.85,-.35,;-1.85,1.19,;-.52,1.96,;-.52,3.5,;-1.85,4.27,;-3.19,3.5,;-3.19,1.96,;-1.85,5.81,;-3.19,6.58,;-3.19,8.12,;-1.85,8.89,;-4.52,8.89,;-4.52,10.43,;-5.85,8.12,;.82,-.35,;2.15,-1.12,;3.61,-.64,;4.01,.84,;4.52,-1.89,;3.61,-3.14,;2.15,-2.66,;-1.85,-4.97,;-3,-5.99,;-4.51,-5.74,)|
Cn1cnc2c(Nc3ccn(n3)-c3ccccn3)cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc12 |r,wU:24.29,21.22,wD:29.32,(5.56,.1,;5.16,-1.39,;6.07,-2.63,;5.16,-3.88,;3.7,-3.4,;2.36,-4.17,;2.36,-5.71,;1.03,-6.48,;.71,-7.99,;-.82,-8.15,;-1.45,-6.74,;-.3,-5.71,;-2.99,-6.74,;-3.76,-5.4,;-5.3,-5.4,;-6.07,-6.74,;-5.3,-8.07,;-3.76,-8.07,;1.03,-3.4,;1.03,-1.86,;-.3,-1.09,;-.3,.45,;1.03,1.22,;1.03,2.76,;-.3,3.53,;-1.64,2.76,;-1.64,1.22,;-.3,5.07,;-1.64,5.84,;-1.64,7.38,;-.3,8.15,;-2.97,8.15,;-2.97,9.69,;-4.3,7.38,;-4.3,8.92,;2.36,-1.09,;3.7,-1.86,)|
CN(C(=O)C=C)c1cc(Nc2ncc(Cl)c(NCCCNC(=O)c3ccc(cc3)C#N)n2)ccc1F
CN(C(=O)C=C)c1cc(Nc2ncc(Cl)c(NCCCNC(=O)c3ccc(cc3)C(F)(F)F)n2)ccc1F
CN(C(=O)C=C)c1cc(Nc2ncc(Cl)c(NCCCNC(=O)c3ccc(F)cc3)n2)ccc1F
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)CC#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)Nc1cccc(c1)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)CCc1c(Cl)cccc1Cl
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(cc1)C(F)(F)F
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(Cl)cc1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)NC1CCOCC1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)N1CCCC1
COc1nc(ccc1C#N)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(Cl)cn1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(Br)cn1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cc(C)c(cn1)[N+]([O-])=O
COc1cc2ncnc(N(C)[C@@H]3CCN(C3)c3ncnc4[nH]ccc34)c2cc1OC
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cc(F)c(C#N)c(F)c1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cccc(c1)C#N |r|
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccnc(c1)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1)S(=O)(=O)C(F)(F)F
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(F)(F)F
N#Cc1ccc(nc1)N(CC1CC1)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
CN([C@@H]1CCN(C1)c1ncnc2n(COCC[Si](C)(C)C)ccc12)c1cc(C)c(cn1)[N+]([O-])=O |r|
C#CCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cnc(cn1)C#N
C#CCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(I)cn1 |r|
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccnc(Cl)n1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(C#N)c(C)n1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)-c1nn[nH]n1 |r|
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)NC[C@H](O)c1ccccc1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(NS(=O)(=O)c2cccs2)cn1 |r|
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(NS(=O)(=O)c2cccnc2)cn1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(NS(C)(=O)=O)cn1
CC(C)S(=O)(=O)Nc1ccc(nc1)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(NS(=O)(=O)Cc2ccccc2F)cn1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)N[C@H]1[C@H](O)Cc2ccccc12
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1CC1
COCCNS(=O)(=O)c1ccc(nc1)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC(C)(C)C
CNS(=O)(=O)c1ccc(nc1)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC[C@H]1CCCO1 |r|
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1COC1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NCCO
C[C@H](O)CNS(=O)(=O)c1ccc(nc1)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1CCC[C@@H]1O
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)N1CCCC1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)N1CCNCC1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)N1CCOCC1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)Nc1ccc(F)cc1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NCc1ccc(F)cc1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1CCOCC1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(=O)Nc1nccs1 |r|
FC(F)(F)[C@@H](CC#N)NCC1CCC(CC1)[C@H]1C2C(C=Nc3[nH]ccc23)C(=O)NC1=O |r,wU:16.16,4.7,c:20,(5.25,7.57,;6.58,6.8,;7.92,7.57,;7.92,6.03,;6.58,5.26,;7.92,4.49,;7.92,2.95,;6.58,2.18,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-1.33,.77,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-4,.77,;-5.33,0,;-4,2.31,;-2.67,3.08,;-2.67,4.62,)|
FC(F)(F)CCOCC1CCC(CC1)[C@H]1C2C(C=Nc3[nH]ccc23)C(=O)NC1=O |r,wU:14.14,c:18,(6.58,2.18,;7.92,2.95,;9.25,2.18,;7.92,1.41,;7.92,4.49,;6.58,5.26,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-1.33,.77,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-4,.77,;-5.33,0,;-4,2.31,;-2.67,3.08,;-2.67,4.62,)|
FC(F)(F)[C@@H](CC#N)NCC1CCC(CC1)N1C=CC(=O)C2C=Nc3[nH]ccc3C12 |r,wU:4.7,c:18,23,(5.25,7.57,;6.58,6.8,;7.92,7.57,;7.92,6.03,;6.58,5.26,;7.92,4.49,;7.92,2.95,;6.58,2.18,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,)|
Cc1cnn(CC2CCC(CC2)N2C=CC(=O)C3C=Nc4[nH]ccc4C23)c1 |c:14,19,(9.12,3.4,;7.62,3.72,;6.71,2.47,;5.25,2.95,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,;6.71,4.96,)|
FC(F)(F)COCC1CCC(CC1)N1C=CC(=O)C2C=Nc3[nH]ccc3C12 |c:15,20,(5.89,7.5,;7.03,6.47,;8.5,6.94,;8.18,5.44,;6.71,4.96,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,)|
FC(F)(F)CCOCC1CCC(CC1)N1C=CC(=O)C2C=Nc3[nH]ccc3C12 |c:16,21,(8.82,8.45,;8.5,6.94,;9.64,5.91,;8.18,5.44,;7.03,6.47,;6.71,4.96,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,)|
FC(F)(F)[C@H](CC#N)OCC1CCC(CC1)N1C=CC(=O)C2C=Nc3[nH]ccc3C12 |r,wU:4.7,c:18,23,(7.54,2.43,;7.86,3.93,;9.32,4.41,;9,2.9,;6.71,4.96,;7.03,6.47,;8.5,6.94,;8.82,8.45,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,)|
COc1cc2c3cnc4[nH]ccc4c3n(CCCN(C)C)c(=O)c2cc1OC
CN(C)CCCn1c2c3cc[nH]c3ncc2c2ccccc2c1=O
CN(C)CCCn1c2c3cc[nH]c3ncc2c2ccc(cc2c1=O)[N+]([O-])=O
COc1cc2c3cnc4[nH]ccc4c3n(CC(=O)OC(C)(C)C)c(=O)c2cc1OC
COC(=O)Cn1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O
CCOC(=O)C(CC)n1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O |w:8.7|
COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC
COc1cc2c3cnc4[nH]ccc4c3n(CC3CCCCC3)c(=O)c2cc1OC
COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCC3)c(=O)c2cc1OC
COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCCC3)c(=O)c2cc1OC
COc1cc2c3cnc4[nH]ccc4c3n(C3CCN(C)CC3)c(=O)c2cc1OC
COc1cc2c3cnc4[nH]ccc4c3n(C3CCNCC3)c(=O)c2cc1OC
COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCNC3)c(=O)c2cc1OC |r|
COc1cc2c3cnc4[nH]ccc4c3n(C3CCCNC3)c(=O)c2cc1OC
COC(=O)[C@@H](C(C)C)n1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O |r|
COC(=O)[C@H](C(C)C)n1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O |r|
COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC |r|
COc1cc2c3cnc4[nH]ccc4c3n([C@H](C(C)C)C(=O)N3CC(C3)C#N)c(=O)c2cc1OC |r|
COc1cc2c3cnc4[nH]ccc4c3n([C@H](C(C)C)C(=O)NCC(F)(F)F)c(=O)c2cc1OC |r|
CC[C@H](C(=O)N1CC(C1)C#N)n1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O |r|
CC[C@H](C(=O)NCC(F)(F)F)n1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O |r|
COc1cc2c3cnc4[nH]ccc4c3n(C(C(C)C)C(=O)NCC(F)(F)F)c(=O)c2cc1OC
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:23.25,wD:20.21,(-.77,3.78,;-2.1,3.01,;-3.44,3.78,;-4.77,3.01,;-6.24,3.49,;-7.14,2.24,;-6.24,1,;-4.77,1.47,;-3.44,.7,;-2.1,1.47,;-.77,.7,;.56,1.47,;.56,3.01,;1.9,3.78,;3.23,3.01,;4.7,3.49,;5.17,4.95,;5.6,2.24,;7.14,2.24,;4.7,1,;5.09,-.49,;4.01,-1.58,;4.4,-3.07,;5.89,-3.47,;6.29,-4.95,;6.98,-2.38,;6.58,-.89,;3.23,1.47,;1.9,.7,)|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:20.21,23.25,(-.77,3.78,;-2.1,3.01,;-3.44,3.78,;-4.77,3.01,;-6.24,3.49,;-7.14,2.24,;-6.24,1,;-4.77,1.47,;-3.44,.7,;-2.1,1.47,;-.77,.7,;.56,1.47,;.56,3.01,;1.9,3.78,;3.23,3.01,;4.7,3.49,;5.17,4.95,;5.6,2.24,;7.14,2.24,;4.7,1,;5.09,-.49,;4.01,-1.58,;4.4,-3.07,;5.89,-3.47,;6.29,-4.95,;6.98,-2.38,;6.58,-.89,;3.23,1.47,;1.9,.7,)|
Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5
Cc1nc2cc(C)c(Nc3ncc4n(C)c(=O)n(C5CCOCC5)c4n3)cn2n1
CO[C@H]1CC[C@H](CC1)n1c2nc(Nc3cn4ncnc4cc3C)ncc2n(C)c1=O |r,wU:5.8,2.1,(7.49,-4.96,;5.95,-4.96,;5.55,-3.48,;4.06,-3.08,;3.66,-1.59,;4.75,-.5,;6.24,-.9,;6.64,-2.39,;4.35,.99,;2.89,1.46,;1.55,.69,;.22,1.46,;-1.11,.69,;-2.45,1.46,;-3.78,.69,;-5.12,1.46,;-6.58,.99,;-7.49,2.23,;-6.58,3.48,;-5.12,3,;-3.78,3.77,;-2.45,3,;-1.11,3.77,;.22,3,;1.55,3.77,;2.89,3,;4.35,3.48,;4.75,4.96,;5.26,2.23,;6.8,2.23,)|
CO[C@H]1CC[C@@H](CC1)n1c2nc(Nc3cn4ncnc4cc3C)ncc2n(C)c1=O |r,wU:2.1,wD:5.8,(7.49,-4.89,;5.95,-4.89,;5.55,-3.4,;4.06,-3,;3.66,-1.51,;4.75,-.43,;6.24,-.82,;6.64,-2.31,;4.35,1.06,;2.89,1.54,;1.55,.77,;.22,1.54,;-1.11,.77,;-2.45,1.54,;-3.78,.77,;-5.12,1.54,;-6.58,1.06,;-7.49,2.31,;-6.58,3.55,;-5.12,3.08,;-3.78,3.85,;-2.45,3.08,;-1.11,3.85,;.22,3.08,;1.55,3.85,;2.89,3.08,;4.35,3.55,;5.12,4.89,;5.26,2.31,;6.8,2.31,)|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCCOC3)c2n1 |r|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CCCOC3)c2n1 |r|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@](C)(O)CC3)c2n1 |r,wU:20.21,23.25,wD:23.26,(3.5,1.28,;3.5,2.82,;4.83,3.59,;4.83,5.13,;5.97,6.16,;5.35,7.57,;3.82,7.41,;3.5,5.9,;2.16,5.13,;2.16,3.59,;.83,2.82,;-.51,3.59,;-1.84,2.82,;-3.17,3.59,;-3.17,5.13,;-4.32,6.16,;-5.8,5.76,;-3.69,7.57,;-4.46,8.9,;-2.16,7.41,;-1.07,8.5,;-1.47,9.99,;-.38,11.07,;1.11,10.68,;2.59,11.07,;1.11,12.22,;1.51,9.19,;.42,8.1,;-1.84,5.9,;-.51,5.13,)|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:20.21,23.26,wD:23.25,(3.5,1.28,;3.5,2.82,;4.83,3.59,;4.83,5.13,;5.97,6.16,;5.35,7.57,;3.82,7.41,;3.5,5.9,;2.16,5.13,;2.16,3.59,;.83,2.82,;-.51,3.59,;-1.84,2.82,;-3.17,3.59,;-3.17,5.13,;-4.32,6.16,;-5.8,5.76,;-3.69,7.57,;-4.46,8.9,;-2.16,7.41,;-1.07,8.5,;-1.47,9.99,;-.38,11.07,;1.11,10.68,;1.11,12.22,;2.59,11.07,;1.51,9.19,;.42,8.1,;-1.84,5.9,;-.51,5.13,)|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCOC3)c2n1 |r|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(c2n1)[C@]1(C)CC[C@H](O)CC1 |r,wU:26.30,wD:22.26,(3.41,-5.24,;3.41,-3.7,;4.74,-2.93,;4.74,-1.39,;5.89,-.36,;5.26,1.05,;3.73,.89,;3.41,-.62,;2.08,-1.39,;2.08,-2.93,;.74,-3.7,;-.59,-2.93,;-1.92,-3.7,;-3.26,-2.93,;-3.26,-1.39,;-4.4,-.36,;-5.89,-.76,;-3.78,1.05,;-4.17,2.53,;-2.24,.89,;-1.92,-.62,;-.59,-1.39,;-1.15,1.97,;-2.64,2.37,;.33,1.58,;1.42,2.66,;1.02,4.15,;2.11,5.24,;-.46,4.55,;-1.55,3.46,)|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCCCC3)c2n1
C=CC(=O)NC1CCC=C(C1)c1ncnc2[nH]cc(-c3ccccc3)c12 |c:8|
C=CC(=O)NC1CCC=C(C1)c1ncnc2[nH]cc(-c3cccs3)c12 |c:8|
C=CC(=O)NC1CCC=C(C1)c1ncnc2[nH]cc(-c3ccsc3)c12 |c:8|
C=CC(=O)NC1CCC=C(C1)c1ncnc2[nH]cc(-c3ccoc3)c12 |c:8|
C=CC(=O)NC1CCC=C(C1)c1ncnc2[nH]cc(-c3ccco3)c12 |c:8|
C=CC(=O)N[C@H]1CCC=C(C1)c1ncnc2[nH]cc(-c3ccco3)c12 |r,c:8|
C=CC(=O)NC1CC=C(C1)c1ncnc2[nH]cc(-c3ccco3)c12 |c:7|
C=CC(=O)NC1CC=C(C1)c1ncnc2[nH]cc(-c3ccccc3)c12 |c:7|
C=CC(=O)NC1CCCC(=C1)c1ncnc2[nH]cc(-c3ccccc3)c12 |c:9|
C=CC(=O)NC1CCCC(=C1)c1ncnc2[nH]cc(-c3cccs3)c12 |c:9|
C=CC(=O)NC1CCCC(=C1)c1ncnc2[nH]cc(-c3ccsc3)c12 |c:9|
C=CC(=O)NC1CCCC(=C1)c1ncnc2[nH]cc(-c3ccco3)c12 |c:9|
C=CC(=O)NC1CCCC(=C1)c1ncnc2[nH]cc(-c3ccoc3)c12 |c:9|
CC(=C)C(=O)NC1CCC=C(C1)c1ncnc2[nH]cc(-c3ccccc3)c12 |c:9|
C\C=C\C(=O)NC1CCC=C(C1)c1ncnc2[nH]cc(-c3ccccc3)c12 |c:9|
C1CCC(=CC1)c1ncnc2[nH]ccc12 |c:3|
C=CC(=O)N[C@H]1CCCC(C1)c1ncnc2[nH]cc(-c3ccco3)c12 |r|
C=CC(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccccc3)c12
CC[C@@H]1CN(C(=O)NCC(F)(F)F)CC1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CN(C(=O)NCC(F)(F)F)CC1N(C)c1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CN(C(=O)CC(F)(F)F)CC1N(C)c1c(C#N)cnc2[nH]ccc12
C[C@@H]1CN(C(=O)NCC(F)(F)F)CC1N(C)c1c(C#N)cnc2[nH]ccc12
C[C@@H]1CN(C(=O)CC#N)CC1N(C)c1c(C#N)cnc2[nH]ccc12
C[C@H](O)C(=O)N4CC3C[C@@H](N(C)c1c(C#N)cnc2[nH]ccc12)CC3C4
COc1nsc(NC(=O)N2C[C@H]3C[C@H](N(C)c4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
CCc1nsc(NC(=O)N2C[C@H]3C[C@H](N(C)c4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H](CS(=O)(=O)c2cccc(C(F)(F)F)c2)C1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H](CS(=O)(=O)CCC(F)(F)F)C1
C[C@@H]1CCN(C(=O)CC#N)CC1N(C)c1c(C#N)cnc2[nH]ccc12
N#Cc1cnc2[nH]ccc2c1N[C@H]1C[C@@H](CS(=O)(=O)CCC(F)(F)F)C1
N#Cc1cnc2[nH]ccc2c1N[C@H]1C[C@@H](CS(=O)(=O)c2cccc(C(F)(F)F)c2)C1
CCCS(=O)(=O)C[C@H]1C[C@@H](N(C)c2c(C#N)cnc3[nH]ccc23)C1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H](CS(=O)(=O)CCC(F)(F)F)C1
CN(c1c(C#N)cnc2[nH]ccc12)C1CC(CS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1
N#Cc1cnc2[nH]ccc2c1N[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(=N)/C2=NO)C1
N#Cc1cnc2[nH]ccc2c1N[C@H]1C[C@@H](NS(=O)(=O)c2cccc3nonc23)C1
COc1nsc(NC(=O)N2C[C@H]3CC(Nc4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H]2CN(C(=O)Nc3nc(C(C)(C)C)ns3)C[C@@H]2C1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H]2CN(C(=O)NCC(F)(F)F)C[C@@H]2C1
C[C@H](O)C(=O)N1C[C@H]2C[C@H](N(C)c3c(C#N)cnc4[nH]ccc34)C[C@H]2C1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@@H]2C1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H]2CN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C[C@@H]2C1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H]2CN(C(=O)Nc3nc(C4CC4)ns3)C[C@@H]2C1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H]2CN(S(=O)(=O)CCC(F)(F)F)C[C@@H]2C1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@@H]2C1
COc1nsc(NC(=O)CC2CC(N(C)c3c(C#N)cnc4[nH]ccc34)C2)n1
CC(C)c1nsc(NC(=O)N2C[C@H]3C[C@H](N(C)c4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
CCn1cnc(NC(=O)N2C[C@H]3C[C@H](N(C)c4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H]2CN(C(=O)Nc3nc(C4CC4)no3)C[C@@H]2C1
CN(C)c1nsc(NC(=O)N2C[C@H]3C[C@H](N(C)c4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
N#Cc1cnc2[nH]ccc2c1NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
CN(c1c(C#N)cnc2[nH]ccc12)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
N#Cc1cnc2[nH]ccc2c1NC1CCN(C(=O)NCC(F)(F)F)C1
CN(c1c(C#N)cnc2[nH]ccc12)C1CCN(C(=O)NCC(F)(F)F)C1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H]2CN(C(=O)Nc3nc(O)ns3)C[C@@H]2C1
N#Cc1cnc2[nH]ccc2c1N1CC2CN(C(=O)NCC(F)(F)F)CC21
C[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CNc1nsc(NC(=O)N2C[C@H]3C[C@H](N(C)c4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H]2CN(C(=O)Nc3nc(CO)ns3)C[C@@H]2C1
COc1noc(NC(=O)N2C[C@H]3C[C@H](N(C)c4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H]2CN(C(=O)Nc3nc(OCC(C)(C)N)ns3)C[C@@H]2C1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1C[C@@H]2CN(C(=O)Nc3nc(OCC(C)(C)O)ns3)C[C@@H]2C1
CCCS(=O)(=O)C[C@H]1C[C@@H](Nc2c(C#N)cnc3[nH]ccc23)C1
CCOc1noc(NC(=O)N2C[C@H]3C[C@H](N(C)c4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
CCOc1nc(NC(=O)N2C[C@H]3C[C@H](N(C)c4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)no1
N#Cc1cnc2[nH]ccc2c1N[C@H]1C[C@@H]2CN(C(=O)Nc3nc(C4CC4)ns3)C[C@@H]2C1
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(CO)ns1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)S(C)(=O)=O)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(OCC(C)(C)O)ns1)c1ncnc2[nH]ccc12 |r|
COc1nsc(CC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ccnc3[nH]ccc23)n1 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)CO)c1ncnc2[nH]cc(F)c12 |r|
CN([C@H]1CC2CNC(=O)CC2C1)c1ncnc2[nH]ccc12 |r|
COc1nnc(NC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)s1 |r|
CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(O)ns1)c1ncnc2[nH]ccc12 |r|
COc1nsc(NC(=O)N2C[C@H]3C[C@H](Nc4c(C)cnc5[nH]ccc45)C[C@H]3C2)n1
COCCOc1nsc(NC(=O)N2C[C@H]3C[C@H](N(C)c4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
COCCOc1nsc(NC(=O)N2C[C@H]3C[C@H](Nc4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
COC(=O)c1nsc(NC(=O)N2C[C@H]3C[C@H](N(C)c4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@@H]2C#N)cn1 |r,THB:19:18:17.11.12:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@H]2C#N)cn1 |r,THB:19:18:17.11.12:15.14|
N#CC1(CN2[C@H]3CC[C@@H]2CN(C3)c2ccnc(Nc3cn[nH]c3)n2)CC1 |r,THB:12:10:4:7.6|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3c2ncc(o2)C#N)cn1 |r,THB:19:18:17.11.12:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C2(CC#N)CN(C2)S(C)(=O)=O)cn1 |r,TLB:9:11:18:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C2(CC#N)COC2)cn1 |r,THB:19:18:17.11.12:15.14|
Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3c2cc(ccn2)C#N)cn1 |r,THB:19:18:17.11.12:15.14|
C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r|
C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@H]1C[C@@H]1C#N)c1nc(Nc2ccc(OCCO)nc2)ncc1C |r|
Cn1cc(Nc2ncc(F)c(n2)N2C[C@@]3(CO)C[C@]3(C2)NC(=O)[C@@H]2C[C@H]2C#N)cn1 |r|
CN(C)Cc1nsc(NC(=O)N2C[C@H]3C[C@H](N(C)c4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
CN(C)Cc1nsc(NC(=O)N2C[C@H]3C[C@H](Nc4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)C(F)F |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)N2CCC2)n1 |r,TLB:24:23:20.19:16.22.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CCC[C@H](C2)N3S(=O)(=O)C2CC2)n1 |r,TLB:25:24:21.20.19:16.23.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(N[C@H]2C[C@@H]3CCC[C@H](C2)N3S(=O)(=O)c2cccnc2)n1 |r,TLB:25:24:21.20.19:16.23.17|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)CC1CC1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2CC1CC1C#N |r,TLB:27:26:23.22.21:18.25.19|
CCC(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(CO)[nH]n2)cc(OC)n1 |r,TLB:5:7:11.10.9:14.13.15|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)C1CC1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C1CCCC1 |r,TLB:27:26:23.22.21:18.25.19|
COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C1CCC1 |r,TLB:27:26:23.22.21:18.25.19|
O[C@@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3nccc4[nH]ccc34)nc(c2)C(F)(F)F)C1 |r,wU:13.16,10.9,1.0,(.91,4.63,;-.47,5.32,;-.72,6.84,;-2.25,7.06,;-2.93,5.68,;-4.45,5.42,;-4.98,3.98,;-4,2.79,;-4.54,1.35,;-3.56,.17,;-2.03,.37,;-1.45,1.8,;.08,2,;1.02,.79,;.44,-.64,;-1.09,-.85,;2.55,.95,;3.52,2.14,;4.72,1.17,;5.35,2.58,;6.88,2.74,;8.41,2.9,;3.75,-.02,;5.62,-.07,;5.15,-1.54,;6.39,-2.44,;7.64,-1.54,;7.16,-.07,;6.39,-3.98,;5.06,-4.75,;5.06,-6.29,;6.39,-7.06,;7.73,-6.29,;9.19,-6.77,;10.1,-5.52,;9.19,-4.28,;7.73,-4.75,;-6.06,1.09,;-7.04,2.28,;-6.5,3.72,;-8.56,2.02,;-9.54,3.21,;-9.09,.58,;-10.1,2.02,;-1.83,4.61,)|
COCc1nsc(NC(=O)N2C[C@H]3C[C@H](N(C)c4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
COCc1nsc(NC(=O)N2C[C@H]3C[C@H](Nc4c(C#N)cnc5[nH]ccc45)C[C@H]3C2)n1
CC[C@@H]1CC(NS(=O)(=O)c2cccc3nonc23)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CC(NC(=O)CCC(F)(F)F)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CC(NS(=O)(=O)c2cccc(C)c2)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CC(NC(=O)Nc2nc(OC)ns2)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CCC(C)(O)C2)CC1
CN1CCN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3c(C#N)cnc4[nH]ccc34)CC2)CC1
COCCOC1CCCN(S(=O)(=O)CC2CCC(N(C)c3c(C#N)cnc4[nH]ccc34)CC2)C1
CC(C)COC1CCCN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3c(C#N)cnc4[nH]ccc34)CC2)C1
C[C@@H]1CN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3c(C#N)cnc4[nH]ccc34)CC2)C[C@H]1CO
CNCC1CCN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3c(C#N)cnc4[nH]ccc34)CC2)C1
COCC1CCN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3c(C#N)cnc4[nH]ccc34)CC2)C1
CN(c1c(C#N)cnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CO)C2)CC1
COCCOC1CCCN(S(=O)(=O)C[C@H]2CC[C@@H](N(C)c3c(C#N)cnc4[nH]ccc34)C2)C1
CN(c1c(C#N)cnc2[nH]ccc12)[C@@H]1CC[C@H](CS(=O)(=O)N2CCC(CO)C2)C1
N#Cc1cnc2[nH]ccc2c1N[C@H]1CN(C(=O)NCC(F)(F)F)CC12CC2
CC(C)[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
N#Cc1cnc2[nH]ccc2c1N[C@H]1CN(C(=O)NCC(F)(F)F)C[C@H]1C1CC1
CC[C@@H]1CN(C(=O)NC(C)C)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CN(S(=O)(=O)CCC(F)(F)F)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CCC1CN(C(=O)CC#N)CC1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CN(C(=O)NCC(C)C)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CN(C(=O)Nc2nc(OC)ns2)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CN(C(=O)CCC#N)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CCC1CN(C(=O)NCC2CC2)CC1Nc1c(C#N)cnc2[nH]ccc12
CCC1CN(C(=O)NCC(F)(F)C(F)(F)F)CC1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CN(C(=O)NC2CC2)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CN(C(=O)NC(C)C(C)C)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CN(C(=O)NCC(C)(C)C)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CCC1CN(C(=O)NCC(F)F)CC1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CN(CCC#N)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
CC[C@@H]1CN(C(=O)NCC(C)(F)F)C[C@@H]1Nc1c(C#N)cnc2[nH]ccc12
N#Cc1cn2c(n1)CC(Nc1c(C#N)cnc3[nH]ccc13)CC2
Cc1cnc2[nH]ccc2c1N[C@H]1CN(C(=O)NCC(F)(F)F)C[C@H]1C1CC1
CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1Nc1c(C)cnc2[nH]ccc12
CC[C@@H]1CN(C(=O)NCC#N)C[C@@H]1Nc1c(C)cnc2[nH]ccc12
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(N(C)Cc2[nH]1)C(=O)N1CCN(CC1)C(C)C
CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@@H](CN3CC[C@@H](C3)N(C)C)N(Cc2[nH]1)C(C)C |r|
CCN(CC)CCN(C)C(=O)[C@@H]1Cc2nc([nH]c2CN1CC)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(N(C)Cc2[nH]1)C(=O)N1CC(C1)N(C)C
CCCN1Cc2[nH]c(nc2CC1C(=O)N1CC(C1)NC)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
O=C(Nc1cn2c(cccc2n1)-c1ccc(CN2CCS(=O)(=O)CC2)cc1)C1CC1
O=C(Nc1cn2c(cccc2n1)-c1ccc(CN2CCS(=O)(=O)CC2)cc1)C1CCC1
O=C(Nc1cn2c(cccc2n1)-c1ccc(CN2CCOCC2)cc1)C1CC1
CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)cn23)CC1
O=C(Nc1cn2c(cccc2n1)-c1ccc(CN2CCCCC2)cc1)C1CC1
O=C(Nc1cn2c(cccc2n1)-c1ccc(CN2CCC(CC2)C#N)cc1)C1CC1
O[C@H]1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)cn23)C1 |r|
O[C@@H]1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)cn23)C1 |r|
COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)cn12
O=C(Nc1cn2c(cccc2n1)-c1ccc(CC#N)cc1)C1CC1
Cc1cc(CN2CCS(=O)(=O)CC2)ccc1-c1cccc2nc(NC(=O)C3CC3)cn12
Fc1cc(CN2CCS(=O)(=O)CC2)ccc1-c1cccc2nc(NC(=O)C3CC3)cn12
Fc1cc(CC#N)ccc1-c1cccc2nc(NC(=O)C3CC3)cn12
CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)cn12
Nc1cn2c(cccc2n1)-c1ccc(CN2CCS(=O)(=O)CC2)cc1
Nc1cn2c(cccc2n1)-c1ccc(CC#N)cc1
Nc1cn2c(cccc2n1)-c1ccc(CC#N)cc1F
O=C(Nc1cn2c(cccc2n1)-c1ccc(cc1)C1(CC1)C#N)C1CC1
CC1(C)CN(C1)C(=O)c1ccc(c(F)c1)-c1cccc2nc(NC(=O)C3CC3)cn12
CC1(C)CN(C1)C(=O)c1ccc(cc1F)-c1cccc2nc(NC(=O)C3CC3)cn12
CC1(C)CN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)cn23)C1
Fc1cc(ccc1CC#N)-c1cccc2nc(NC(=O)C3CC3)cn12
CC(C#N)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)cn12
Fc1cc(ccc1CN1CCS(=O)(=O)CC1)-c1cccc2nc(NC(=O)C3CC3)cn12
O=C(Nc1cn2c(cccc2n1)-c1cccc(CN2CCS(=O)(=O)CC2)c1)C1CC1
O=C(Nc1cn2c(cccc2n1)-c1ccc(NS(=O)(=O)C2CC2)cc1)C1CC1
FC(F)(F)CC(=O)NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)cn12
O=C(Nc1cn2c(cccc2n1)-c1ccc(CNc2ccccc2CC#N)cc1)C1CC1
Cc1cc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)n2cc(NC(=O)C3CC3)nc2c1
Clc1ccc2nc(NC(=O)C3CC3)cn2c1-c1ccc(CN2CCS(=O)(=O)CC2)cc1
Cc1ccc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)n2cc(NC(=O)C3CC3)nc12
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC2CCCN2)c1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CC(C1)S(C)(=O)=O |(.49,4.45,;-.6,3.36,;-2.09,3.76,;-2.49,5.25,;-1.4,6.34,;-3.18,2.67,;-2.7,1.21,;-3.95,.3,;-5.2,1.21,;-4.72,2.67,;-3.95,-1.24,;-2.62,-2.01,;-2.62,-3.55,;-3.95,-4.32,;-5.28,-3.55,;-6.75,-4.03,;-7.65,-2.78,;-6.75,-1.53,;-5.28,-2.01,;-1.28,-4.32,;-1.28,-5.86,;.18,-6.34,;1.09,-5.09,;.18,-3.84,;2.57,-4.69,;3.91,-5.46,;4.68,-4.13,;3.34,-3.36,;6.17,-3.73,;7.25,-4.82,;6.94,-2.4,;7.65,-3.33,)|
C[C@H]1CCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CC2C[C@H](O)C2)c1 |r,wU:26.29,(-1.21,8.16,;-1.98,6.82,;-1.21,5.49,;.33,5.49,;1.1,6.82,;-1.98,4.16,;-1.51,2.69,;-2.75,1.79,;-4,2.69,;-3.52,4.16,;-2.75,.25,;-1.42,-.52,;-1.42,-2.06,;-2.75,-2.83,;-4.09,-2.06,;-5.55,-2.54,;-6.45,-1.29,;-5.55,-.05,;-4.09,-.52,;-.08,-2.83,;-.08,-4.37,;1.38,-4.85,;2.29,-3.6,;3.83,-3.6,;4.6,-4.94,;4.2,-6.42,;5.68,-6.82,;6.45,-8.16,;6.08,-5.34,;1.38,-2.36,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H]1OCC[C@H]1O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1OCC[C@@H]1O |r|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCC[C@@H]1O |r|
CC[C@@H](CC1CC1)n1cc(cn1)-c1cnn2cc(ncc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CCC(CC1CC1)n1cc(cn1)-c1cnn2cc(ncc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CCC(CC(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CCC(CC(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO
CCC(C1CC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](C)O)c1 |r|
COc1cc(ccc1Cl)Nc2c(cn(n2)[C@H]3COCC[C@@H]3C#N)C(=O)N
CSc1cc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)ccc1Cl |r|
COc1cc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)ccc1C#N |r|
CC(C)c1cc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)ccc1C#N |r|
Cc1noc2ccc(Nc3nn(cc3C(N)=O)[C@H]3COCC[C@@H]3C#N)cc12 |r|
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
CC[C@@](C)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F |r|
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r|
CS(=O)(=O)NCc1nc2cnc3c(c2n1[C@@H]4C[C@H]5CC[C@@H]4C5)cc[nH]3
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)N1CCC1 |r|
O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)C#N)cc3)n2n1)C1CC1
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
O[C@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C1CCCC1 |r|
OC(CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C1CCCCC1 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)C1CCCCC1 |r|
O[C@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C1CCCCC1 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)C1CCCC1 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1ccc(F)cc1 |r|
O[C@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(F)cc1 |r|
O[C@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N |r|
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1ccc(F)cc1 |r|
O[C@@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C1CCOCC1 |r|
O[C@@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C1CCCC1 |r|
O[C@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(F)cn1 |r|
O=C(NCc1ccc(cc1)C#N)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(C#N)c(F)c1 |r|
O[C@@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C1CCCCC1 |r|
Fc1cc(CNC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)ccc1C#N |r|
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(F)cc1 |r|
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N |r|
OC[C@H](NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C#N |r|
C[C@H](NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N |r|
OCC1(CNC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CC(F)(F)C1 |r|
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C1CCCCC1 |r|
O[C@@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C1CCC1 |r|
O=C(NCc1ccc(cc1)C#N)C1CCN(CC11CC1)c1ncnc2[nH]ccc12
C[C@](CO)(NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N |r|
C[C@@](CO)(NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N |r|
O[C@@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N |r|
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@H](O)c1ccc(F)cn1 |r|
Fc1cc(ccc1CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C#N |r|
NS(=O)(=O)c1ccc(CNC(=O)C2CCN(CC22CC2)c2ncnc3[nH]ccc23)cc1
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(F)cc1F |r|
OCC1(CNC(=O)C2CCN(CC22CC2)c2ncnc3[nH]ccc23)CC(F)(F)C1
O[C@@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N |r|
Cc1cc(ccc1[C@H](CO)NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C#N |r|
OC(CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(F)cn1 |r|
OC(CNC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1ccc(F)c(C)c1 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1ccc(F)cn1 |r|
OC[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C(=O)OCC1CC(F)(F)C1 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1ccc(cc1)C#N |r|
Cc1cc(ncc1F)[C@H](O)CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@H](O)c1ccc(F)cc1 |r|
O[C@@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(F)cn1 |r|
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N |r|
OC1(CNC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCCC1 |r|
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@H](O)c1ccc(F)cc1 |r|
O[C@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccccc1 |r|
OCC1(CNC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCCC1 |r|
Fc1ccc(CNC(=O)C2CCN(CC22CC2)c2ncnc3[nH]ccc23)cc1
Cc1cc(ccc1C#N)[C@H](CO)NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
NS(=O)(=O)c1cccc(CNC(=O)C2CCN(CC22CC2)c2ncnc3[nH]ccc23)c1
FC1(F)CC(CNC(=O)C2CCN(CC22CC2)c2ncnc3[nH]ccc23)C1
C[C@@](CO)(NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N |r|
OCC1(CNC(=O)C2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCCC1
O=C(NCC1CC(C1)C#N)C1CCN(CC11CC1)c1ncnc2[nH]ccc12 |(3.76,4.62,;2.43,3.85,;1.09,4.62,;-.24,5.39,;-1.58,4.62,;-3.06,5.02,;-3.46,3.53,;-1.97,3.13,;-4.8,2.76,;-6.13,1.99,;2.43,2.31,;1.09,1.54,;1.09,,;2.43,-.77,;3.76,,;3.76,1.54,;5.3,1.54,;4.53,2.87,;2.43,-2.31,;1.09,-3.08,;1.09,-4.62,;2.43,-5.39,;3.76,-4.62,;5.22,-5.1,;6.13,-3.85,;5.22,-2.6,;3.76,-3.08,)|
CC(NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(F)cc1
FC1(F)CC(CNC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)C1 |r|
O[C@H](CNC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccccc1 |r|
Cc1ccc(cc1)[C@H](O)CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
COc1ccc(cc1)[C@H](C)NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1cccc(c1)C#N |r|
OC1(CNC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCC1 |r|
OC[C@H](NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccccc1 |r|
O=C(NCc1cccc(c1)C#N)C1CCN(CC11CC1)c1ncnc2[nH]ccc12
COc1cc(ccc1CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C#N |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1ccc(C)cc1 |r|
OC1(CNC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCCCC1 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1cc(C)c(F)cn1 |r|
O=C(NCc1ccc(cn1)C#N)C1CCN(CC11CC1)c1ncnc2[nH]ccc12
Cc1cc(F)ccc1[C@H](CO)NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
C[C@](CO)(NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N |r|
OC[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C(=O)OCc1ccccc1 |r|
Fc1cccc(CNC(=O)C2CCN(CC22CC2)c2ncnc3[nH]ccc23)c1
O=C(NCC1CCCC1)C1CCN(CC11CC1)c1ncnc2[nH]ccc12
O=C(NC[C@H]1CC[C@@H](C1)C#N)C1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
C[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(C#N)c(F)c1 |r|
O=C(NCc1ccncc1)C1CCN(CC11CC1)c1ncnc2[nH]ccc12
C[C@H](NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1cccc(c1)C#N |r|
OC[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C(=O)OCC1CCCC1 |r|
OC1(CNC(=O)C2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCCC1
CCc1cc(ccc1[C@H](CO)NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C#N |r|
COc1ccc(CNC(=O)C2CCN(CC22CC2)c2ncnc3[nH]ccc23)cc1
OC[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C(=O)OCC1CC1 |r|
COc1cc(CNC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)ccc1C#N |r|
OC[C@@H](NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N |r|
O=C(NCc1ccccc1)C1CCN(CC11CC1)c1ncnc2[nH]ccc12
OC[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C(=O)OC1CCCC1 |r|
COc1cc(ccc1[C@H](C)NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C#N |r|
OC[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C(=O)OCC1(CO)CCC1 |r|
C[C@H](NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccccc1 |r|
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(F)cc1CO |r|
C[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C#N |r|
O=C(NC[C@@H]1C[C@H]1C#N)C1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
O[C@@H](CNC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccccc1 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1ccccn1 |r|
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1ccc(F)cn1 |r|
O[C@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1cccc(c1)C#N |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@H](O)c1ccc(F)cn1 |r|
OC[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N |r|
COc1cc(F)ccc1[C@H](CO)NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
Cc1cc(ncc1F)[C@@H](O)CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
C[C@@H](NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N |r|
O=C(NCC1(CC#N)CC1)C1CCN(CC11CC1)c1ncnc2[nH]ccc12
C[C@@H](NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(F)c(F)c1 |r|
O=C(NCCc1ccccc1)C1CCN(CC11CC1)c1ncnc2[nH]ccc12
O=C(NCC1CCC1)C1CCN(CC11CC1)c1ncnc2[nH]ccc12
OC[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C(=O)OCC1(CO)CC1 |r|
C[C@@H](NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1cccc(c1)C#N |r|
CC(CO)(NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccccc1
COc1cccc(CNC(=O)C2CCN(CC22CC2)c2ncnc3[nH]ccc23)c1
COc1cc(ccc1[C@H](CO)NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C#N |r|
CCc1cc(ccc1[C@@H](C)NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C#N |r|
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccccn1 |r|
C[C@@H](NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(F)c(c1)C#N |r|
COc1ccc(cc1F)[C@@H](C)NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@H](O)c1ccc(cc1)C#N |r|
OC[C@@H](NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccccc1 |r|
O=C(NCc1cccnc1)C1CCN(CC11CC1)c1ncnc2[nH]ccc12
OCC1(CNC(=O)[C@H](O)CNC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CC(F)(F)C1 |r|
O[C@H](CNC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C(=O)NCC1CC(F)(F)C1 |r|
COc1cc(F)ccc1[C@@H](C)NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
OC[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C1CCCCC1 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@H](O)c1cc(C)c(F)cn1 |r|
C[C@@H](NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1cccc(F)c1 |r|
OC[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccccn1 |r|
C[C@@H](NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccccc1 |r|
OC[C@@H](Cc1ccccc1)NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C(=O)OCc1ccccc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
OC[C@H](Cc1ccccc1)NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
O[C@H](CNC(=O)[C@@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N |r|
COc1cc(ccc1F)[C@@H](C)NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
COc1cncc(c1)[C@@H](C)NC(=O)C1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
O=C(NCc1ccc(cc1)C#N)[C@@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
C[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1ccc(cc1)C#N |r|
OC[C@@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C1CCC1 |r|
OC[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)C1CCC1 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1ccc(F)c(F)c1 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1cccc(F)c1 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1cccnc1 |r|
C[C@H](NC(=O)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12)[C@@H](O)c1ccccc1 |r|
FC1(F)CC(COC(=O)C2CCN(CC22CC2)c2ncnc3[nH]ccc23)C1
FC1(F)CC(COC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)C1 |r|
FC1(F)CC(COC(=O)[C@@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)C1 |r|
OCC1(COC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CC1 |r|
OCC1(COC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCC1 |r|
OCC1(COC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCCC1 |r|
OCC1(COC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CC(F)(F)C1 |r|
OCC1(COC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCCCC1 |r|
OCC1(COC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CS(=O)(=O)C1 |r|
O=C(OCC1(CC#N)CC1)[C@H]1CCN(CC11CC1)c1ncnc2[nH]ccc12 |r|
O=C(OCC1(CC#N)CC1)C1CCN(CC11CC1)c1ncnc2[nH]ccc12
CCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)C(CC#N)C1CCCC1
CCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)S(=O)(=O)CC
CCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)[C@H](CC#N)C1CCCC1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)[C@@H](CC#N)C1CCCC1 |r|
CC(C)OC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)[C@H](CC#N)C1CCCC1 |r|
CC(C)OC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)[C@@H](CC#N)C1CCCC1 |r|
CCCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)[C@H](CC#N)C1CCCC1 |r|
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CC(O)C1 |(7.97,2.67,;6.44,2.83,;5.41,1.68,;4,2.31,;4.16,3.84,;5.67,4.16,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;2.67,,;1.33,-2.31,;.09,-3.22,;.56,-4.68,;2.1,-4.68,;2.58,-3.22,;3.01,-5.93,;3.71,-4.55,;5.25,-4.47,;6.78,-4.39,;2.01,-7.1,;3.18,-8.1,;3.3,-9.63,;4.18,-6.93,)|
CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r|
CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C |r|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CCO)C[C@H]1C |r|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC[C@@H](C1)N(C)C |r|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C[C@@H]1C)C(=O)OC(C)(C)C |r|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N(C)C |r|
CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r|
CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C |r|
CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r|
CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r|
Oc1ccc(cc1)-c1cc(O[C@H]2CCN(C2)C(=O)C=C)c2cncn2c1 |r|
Oc1ccc(cc1)-c1cc(OCC2CCN(CC2)C(=O)C=C)c2cncn2c1
Oc1ccc(cc1)-c1cc(OC2CCC22CN(C2)C(=O)C=C)c2cncn2c1
Oc1ccc(cc1)-c1cc(NC2CCN(CC2)C(=O)C=C)c2cncn2c1
Oc1ccc(cc1)-c1cc(OCC2CN(C2)C(=O)C=C)c2nncn2c1
Oc1ccc(cc1)-c1cn2cncc2c(OCC2CN(C2)C(=O)C=C)n1
Oc1cc(F)c(c(F)c1)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
Oc1ccc(c(F)c1F)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
COc1cc(cc(Cl)c1O)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
Oc1ccc(cc1)-c1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C=C)c2cncn2c1 |r,THB:19:18:15.14:11.17.12|
Oc1ccc(cc1)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
Oc1ccc(cc1Cl)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
CCc1cc(O)c(F)cc1-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
Oc1ccc(cc1)-c1cc(OC2CCN(CC2(F)F)C(=O)C=C)c2cncn2c1
C[C@@H]1C[C@@H](CCN1C(=O)C=C)Oc1cc(cn2cncc12)-c1ccc(O)cc1 |r|
CCc1cc(O)c(F)cc1-c1cc(O[C@H]2CCCN(C2)C(=O)C=C)c2cncn2c1 |r|
CN(C1CCC(CC1)C(=O)C=C)c1cc(cn2cncc12)-c1ccc(O)cc1 |(1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-5.33,-3.85,;-6.67,-3.08,;-5.33,-5.39,;-4,-6.16,;,.77,;1.33,1.54,;1.33,3.08,;,3.85,;-1.33,3.08,;-2.8,3.56,;-3.7,2.31,;-2.8,1.06,;-1.33,1.54,;2.67,3.85,;4,3.08,;5.33,3.85,;5.33,5.39,;6.67,6.16,;4,6.16,;2.67,5.39,)|
CCc1cc(O)c(F)cc1-c1cc(O[C@H]2CCCN(C2)C(=O)\C=C\CN(C)C)c2cncn2c1 |r|
CN(C)C\C=C\C(=O)N1CC(COc2cc(cn3cncc23)-c2ccc(O)cc2)C1
Oc1ccc(cc1F)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
CCc1cc(O)ccc1-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
CN(C)C\C=C\C(=O)N1CC(COc2cc(cn3cncc23)-c2ccc(O)c(F)c2)C1
CN(C)C\C=C\C(=O)N1CC(COc2cc(cn3cncc23)-c2ccc(O)c(Cl)c2)C1
CCc1cc(O)c(F)cc1-c1cc(OCC2CN(C2)C(=O)\C=C\CN(C)C)c2cncn2c1
CCc1cc(O)ccc1-c1cc(OCC2CN(C2)C(=O)\C=C\CN(C)C)c2cncn2c1
Oc1ccc(cc1)-c1cc(OC[C@H]2CCN(C2)C(=O)C=C)c2cncn2c1 |r|
Oc1ccc(cc1)-c1cc(O[C@H]2CCCN(C2)C(=O)C=C)c2cncn2c1 |r|
CC(C)(Oc1cc(cn2cncc12)-c1ccc(O)cc1)C1CN(C1)C(=O)C=C
Oc1ccc(cc1)-c1cc(SCC2CN(C2)C(=O)C=C)c2cncn2c1
Oc1ccc(cc1)-c1cc(OC2CCN(CC2)C(=O)C=C)c2cncn2c1
Oc1c(F)cc(cc1Cl)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
Oc1c(F)cc(cc1F)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
Oc1c(Cl)cc(cc1Cl)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
Cc1cc(ccc1O)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
Cc1cc(cc(C)c1O)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C=C)c2cncn2c1 |r,TLB:10:11:15.14:18|
Oc1ccc(cc1)-c1cc(OC2CC3(C2)CN(C3)C(=O)C=C)c2cncn2c1
C[C@H]1C[C@H](CCN1C(=O)C=C)Oc1cc(cn2cncc12)-c1ccc(O)cc1 |r|
C[C@H]1C[C@@H](CCN1C(=O)C=C)Oc1cc(cn2cncc12)-c1ccc(O)cc1 |r|
C[C@H]1C[C@H](C[C@@H](C)N1C(=O)C=C)Oc1cc(cn2cncc12)-c1ccc(O)cc1 |r|
C[C@H]1CN(CC[C@H]1Oc1cc(cn2cncc12)-c1ccc(O)cc1)C(=O)C=C |r|
Oc1ccc(-c2cc(OCC3CN(C3)C(=O)C=C)c3cncn3c2)c(c1)C(F)(F)F
Cc1cc(c(C)cc1O)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
Cc1cc(O)ccc1-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
COc1cc(O)ccc1-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1
CCc1cc(O)c(F)cc1-c1cc(OC2CCC22CN(C2)C(=O)C=C)c2cncn2c1
CCc1cc(O)c(F)cc1-c1cc(OC2CCN(CC2)C(=O)C=C)c2cncn2c1
CCc1cc(O)c(F)cc1-c1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C=C)c2cncn2c1 |r,TLB:22:21:18.17:14.20.15|
CCc1cc(O)c(F)cc1-c1cc(OC2CCN(CC2(F)F)C(=O)C=C)c2cncn2c1
Oc1ccc(cc1)-c1cc(N[C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C=C)c2cncn2c1 |r,TLB:19:18:14.15:17.11.12|
Oc1ccc(cc1)-c1cc(N[C@H]2CCCN(C2)C(=O)C=C)c2cncn2c1 |r|
Oc1ccc(cc1)-c1cc(NCC2CN(C2)C(=O)C=C)c2cncn2c1
C[C@]12CN(CC[C@H]1CCN(C2)c1ncnc2[nH]ccc12)C#N |r|
C[C@@]12CN(CC[C@@H]1CCN(C2)c1ncnc2[nH]ccc12)C#N |r|
C[C@]12CN(CC[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1cnc(cn1)C#N |r|
C[C@]12CN(CC[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N |r|
C[C@]12CN(CC[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1ccc(nn1)C#N |r|
C[C@]12CN(CC[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1ncc(cn1)C#N |r|
Cc1cc(ncc1C#N)N1CC[C@H]2CCN(C[C@@]2(C)C1)c1ncnc2[nH]ccc12 |r|
C[C@@]12CN(CC[C@@H]1CCN(C2)S(N)(=O)=O)c1ncnc2[nH]ccc12 |r|
Cc1nc(ccc1C#N)N1CC[C@H]2CCN(C[C@@]2(C)C1)c1ncnc2[nH]ccc12 |r|
Cc1cc(cnc1N1CC[C@H]2CCN(C[C@@]2(C)C1)c1ncnc2[nH]ccc12)C#N |r|
Cc1cc(ncc1Br)N1CC[C@H]2CCN(C[C@@]2(C)C1)c1ncnc2[nH]ccc12 |r|
C[C@@]12CN(CC[C@@H]1CCN(C2)S(C)(=O)=O)c1ncnc2[nH]ccc12 |r|
Cc1nc(ccc1Br)N1CC[C@H]2CCN(C[C@@]2(C)C1)c1ncnc2[nH]ccc12 |r|
CC[C@]12CN(CC[C@H]1CCN(C2)c1ncnc2[nH]ccc12)C(C)=O |r|
CC[C@]12CN(CC[C@H]1CCN(C2)c1ncnc2[nH]ccc12)C=O |r|
CC[C@@]12CN(CC[C@@H]1CCN(C2)S(N)(=O)=O)c1ncnc2[nH]ccc12 |r|
CC[C@]12CN(CC[C@H]1CCN(C2)S(N)(=O)=O)c1ncnc2[nH]ccc12 |r|
CC[C@]12CN(CC[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1nnc(Br)s1 |r|
CC[C@@]12CN(CC[C@@H]1CCN(C2)c1ncnc2[nH]ccc12)C#N |r|
CC[C@]12CN(CC[C@H]1CCN(C2)c1ncnc2[nH]ccc12)C#N |r|
CCC12CNCCC1CCN(C2)c1ncnc2[nH]ccc12
CC[C@]12CN(CCC1CCN(C2)c1ncnc2[nH]ccc12)c1nc(cs1)C#N |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)S(C)(=O)=O |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)S(N)(=O)=O |r|
C[C@@]12CN(C[C@@H]1CCN(C2)c1ncnc2[nH]ccc12)C#N |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)C#N |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)S(=O)(=O)NCC#N |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)S(=O)(=O)CC(F)(F)F |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N |r|
C[C@@]12CN(C[C@@H]1CCN(C2)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1ccc(cn1)S(C)(=O)=O |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1ncccc1CO |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1ncc(Br)cc1CO |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1ccc(cc1)S(C)(=O)=O |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1ccncn1 |r|
Cc1cc(ncc1C#N)N1C[C@H]2CCN(C[C@@]2(C)C1)c1ncnc2[nH]ccc12 |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1ncc(cn1)C#N |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1ccc(nn1)C#N |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)c1cnc(cn1)C#N |r|
Cc1cc(cnc1N1C[C@H]2CCN(C[C@@]2(C)C1)c1ncnc2[nH]ccc12)C#N |r|
Cc1nc(ccc1C#N)N1C[C@H]2CCN(C[C@@]2(C)C1)c1ncnc2[nH]ccc12 |r|
C[C@]12CN(C[C@H]1CCN(C2)c1ncnc2[nH]ccc12)C(=O)C1(CCCC1)C#N |r|
COc1cc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc(F)n1 |r|
COc1cc(Nc2nn(cc2C(N)=O)[C@@H]2COCC[C@H]2C#N)cc(F)n1 |r|
CS(=O)(=O)c1ccc(Nc2oc(nc2C(N)=O)-c2c(F)cccc2F)cc1
NC(=O)c1nc(oc1Nc1ccc(cc1)S(N)(=O)=O)-c1c(F)cccc1F
CN(C)S(=O)(=O)c1ccc(Nc2oc(nc2C(N)=O)-c2c(F)cccc2F)cc1
CNS(=O)(=O)c1ccc(Nc2oc(nc2C(N)=O)-c2c(F)cccc2F)cc1
CN(C)C(=O)c1ccc(Nc2oc(nc2C(N)=O)-c2c(F)cccc2F)cc1
NCCCNC(=O)c1ccc(Nc2oc(nc2C(N)=O)-c2c(F)cccc2F)cc1
NC(=O)c1nc(oc1Nc1ccc(cc1)C(=O)N[C@@H]1CCCNC1)-c1c(F)cccc1F |r|
NC(=O)c1nc(oc1Nc1ccc(cc1)C(=O)N[C@H]1CCCNC1)-c1c(F)cccc1F |r|
NC(=O)c1nc(oc1Nc1ccc(cc1)C(=O)N1CCOCC1)-c1c(F)cccc1F
CNCCNC(=O)c1ccc(Nc2oc(nc2C(N)=O)-c2c(F)cccc2F)cc1
CNCCCNC(=O)c1ccc(Nc2oc(nc2C(N)=O)-c2c(F)cccc2F)cc1
NC(=O)c1nc(oc1Nc1ccc(cc1)C(=O)N[C@@H]1CCNC1)-c1c(F)cccc1F |r|
NC(=O)c1nc(oc1Nc1ccc(cc1)C(=O)N[C@H]1CCNC1)-c1c(F)cccc1F |r|
NC(=O)c1nc(oc1Nc1ccc(cc1)C(=O)N1CCC[C@@H]1CO)-c1c(F)cccc1F |r|
NC(=O)c1nc(oc1Nc1ccc(cc1)C(=O)NCCO)-c1c(F)cccc1F
NC(=O)c1nc(oc1Nc1ccc(cc1)C(=O)NCCCO)-c1c(F)cccc1F
NC(=O)c1nc(oc1Nc1ccc(cc1)C(=O)NC1CCNCC1)-c1c(F)cccc1F
CN1CCC(CC1)NC(=O)c1ccc(Nc2oc(nc2C(N)=O)-c2c(F)cccc2F)cc1
CS(=O)(=O)c1ccc(Nc2oc(nc2C(N)=O)-c2c(Cl)cccc2Cl)cc1
CS(=O)(=O)c1ccc(Nc2oc(nc2C(N)=O)-c2c(F)cccc2Cl)cc1
CS(=O)(=O)c1ccc(Nc2oc(nc2C(N)=O)-c2c(F)cc(F)cc2F)cc1
CS(=O)(=O)c1ccc(Nc2oc(nc2C(N)=O)-c2cc(F)ccc2F)cc1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCOCC1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCC(CC1)N1CCCCC1
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC(=O)CO)n2)n[nH]1 |r,TLB:23:22:19.18:16.15.21|
CC(C#N)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:1:4:7.6:11.10.9|
CCC(C#N)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:5:8.7:12.11.10|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC3CCOC3=O)n2)n[nH]1 |THB:24:23:18.19.20:15.16.22|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C[C@@H]3CCOC3=O)n2)n[nH]1 |THB:24:23:18.19.20:15.16.22|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC3CCCOC3=O)n2)n[nH]1 |THB:24:23:18.19.20:15.16.22|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC3CCC(=O)O3)n2)n[nH]1 |THB:24:23:18.19.20:15.16.22|
CSC(C)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |TLB:4:6:8.9.10:12.13.14|
CCSC(C)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |TLB:5:7:9.10.11:13.14.15|
CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(OC)ccc12 |r,TLB:2:5:8.7:12.11.10|
CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CO)ccc12 |r,TLB:2:5:8.7:12.11.10|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1 |THB:31:30:27.26.25:22.29.23|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)n2)n[nH]1 |THB:31:30:27.26.25:22.29.23|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@@H]3C[C@@H]4CCC[C@H](C3)N4CC(F)(F)F)n2)n[nH]1 |THB:31:30:27.26.25:22.29.23|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3ccncc3)c2c1 |r,TLB:26:25:22.21:19.18.24|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CF)c2c1 |r,TLB:28:27:24.23:21.20.26|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)c2c1 |THB:29:28:23.24.25:20.21.27|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C3CCOC(=O)C3)c2c1 |THB:29:28:23.24.25:20.21.27|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C[C@H]3CCC(=O)O3)c2c1 |THB:29:28:23.24.25:20.21.27|
Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:14.13.12:10.9.16|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CC(C1)N1CCCCC1 |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CC(C1)N(C)C |r|
CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)NC)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N1CCCCC1 |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CC(C)(C1)N(C)C |r|
CCCS(=O)(=O)N[C@H]1CCC(C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1cccc2nonc12)c1ncnc2[nH]ccc12 |r,wU:2.1,4.6,(-6.03,.77,;-4.7,0,;-3.37,.77,;-1.88,.38,;-1.48,1.86,;-2.97,2.26,;-.15,2.63,;1.19,1.86,;.42,.53,;1.96,.53,;2.52,2.63,;2.84,4.14,;4.3,4.62,;5.45,3.59,;5.13,2.08,;6.03,.83,;5.13,-.41,;3.66,.06,;3.66,1.6,;-4.7,-1.54,;-6.03,-2.31,;-6.03,-3.85,;-4.7,-4.62,;-3.37,-3.85,;-1.9,-4.32,;-1,-3.08,;-1.9,-1.83,;-3.37,-2.31,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1(C)COC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.41,;-4.28,.64,;-2.94,1.41,;-2.55,2.89,;-1.06,2.5,;-1.46,1.01,;.28,3.27,;1.61,2.5,;.84,1.16,;2.38,1.16,;2.94,3.27,;4.28,2.5,;4.68,3.98,;3.51,1.16,;4.84,.39,;5.61,1.73,;-4.28,-.9,;-5.61,-1.67,;-5.61,-3.21,;-4.28,-3.98,;-2.94,-3.21,;-1.48,-3.69,;-.57,-2.44,;-1.48,-1.2,;-2.94,-1.67,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@H]1C[C@@H]1CC#N)c1ncnc2[nH]ccc12 |r,wU:10.10,wD:2.1,4.6,12.14,(-5.71,1.1,;-4.38,.33,;-3.05,1.1,;-2.65,2.59,;-1.16,2.19,;-1.56,.7,;.17,2.96,;1.51,2.19,;1.51,.65,;.17,1.42,;2.84,2.96,;3.61,4.29,;4.38,2.96,;5.71,2.19,;5.71,.65,;5.71,-.89,;-4.38,-1.21,;-5.71,-1.98,;-5.71,-3.52,;-4.38,-4.29,;-3.05,-3.52,;-1.58,-4,;-.68,-2.75,;-1.58,-1.51,;-3.05,-1.98,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@@H]1C[C@H]1CC#N)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.6,10.10,(-7.05,1.1,;-5.71,.33,;-4.38,1.1,;-3.98,2.59,;-2.49,2.19,;-2.89,.7,;-1.16,2.96,;.17,2.19,;-.6,.85,;.94,.85,;1.51,2.96,;2.28,4.29,;3.05,2.96,;4.38,2.19,;5.71,2.96,;7.05,3.73,;-5.71,-1.21,;-7.05,-1.98,;-7.05,-3.52,;-5.71,-4.29,;-4.38,-3.52,;-2.92,-4,;-2.01,-2.75,;-2.92,-1.51,;-4.38,-1.98,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CC(C)(C1)C#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.99,-.11,;-4.66,-.88,;-3.32,-.11,;-2.92,1.37,;-1.44,.98,;-1.84,-.51,;-.1,1.75,;1.23,.98,;.46,-.36,;2,-.36,;2.56,1.75,;4.05,1.35,;4.45,2.84,;5.99,2.84,;2.96,3.23,;5.22,4.17,;5.99,5.5,;-4.66,-2.42,;-5.99,-3.19,;-5.99,-4.73,;-4.66,-5.5,;-3.32,-4.73,;-1.86,-5.21,;-.95,-3.96,;-1.86,-2.72,;-3.32,-3.19,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@H]1CC[C@@H](C1)C#N)c1ncnc2[nH]ccc12 |r,wU:13.16,wD:2.1,4.6,10.10,(-5.78,-.58,;-4.45,-1.35,;-3.11,-.58,;-2.71,.91,;-1.23,.51,;-1.62,-.97,;.11,1.28,;1.44,.51,;.67,-.82,;2.21,-.82,;2.77,1.28,;4.24,.81,;5.14,2.05,;4.24,3.3,;2.77,2.82,;5.01,4.63,;5.78,5.97,;-4.45,-2.89,;-5.78,-3.66,;-5.78,-5.2,;-4.45,-5.97,;-3.11,-5.2,;-1.65,-5.67,;-.74,-4.43,;-1.65,-3.18,;-3.11,-3.66,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@@H]1CC[C@@H](C1)C#N)c1ncnc2[nH]ccc12 |r,wU:10.10,13.16,wD:2.1,4.6,(-5.78,-.58,;-4.45,-1.35,;-3.11,-.58,;-2.71,.91,;-1.23,.51,;-1.62,-.97,;.11,1.28,;1.44,.51,;.67,-.82,;2.21,-.82,;2.77,1.28,;4.24,.81,;5.14,2.05,;4.24,3.3,;2.77,2.82,;5.01,4.63,;5.78,5.97,;-4.45,-2.89,;-5.78,-3.66,;-5.78,-5.2,;-4.45,-5.97,;-3.11,-5.2,;-1.65,-5.67,;-.74,-4.43,;-1.65,-3.18,;-3.11,-3.66,)|
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CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@H]1C[C@@H](C1)C#N)c1ncnc2[nH]ccc12 |r,wU:10.10,wD:2.1,4.6,12.15,(-6.55,.45,;-5.22,-.32,;-3.89,.45,;-3.49,1.94,;-2,1.54,;-2.4,.05,;-.67,2.31,;.67,1.54,;-.1,.21,;1.44,.21,;2,2.31,;2.4,3.8,;3.89,3.4,;3.49,1.91,;5.22,4.17,;6.55,4.94,;-5.22,-1.86,;-6.55,-2.63,;-6.55,-4.17,;-5.22,-4.94,;-3.89,-4.17,;-2.42,-4.64,;-1.52,-3.4,;-2.42,-2.15,;-3.89,-2.63,)|
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CN([C@@H]1C[C@H](CS(=O)(=O)CC2(C)COC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.03,1.61,;-4.7,.84,;-3.37,1.61,;-2.97,3.09,;-1.48,2.7,;-.15,3.47,;1.19,2.69,;.42,1.36,;1.96,1.36,;2.52,3.46,;3.86,2.69,;2.77,1.61,;4.94,1.61,;6.03,2.69,;4.94,3.78,;-1.88,1.21,;-4.7,-.7,;-6.03,-1.47,;-6.03,-3.01,;-4.7,-3.78,;-3.37,-3.01,;-1.9,-3.49,;-1,-2.24,;-1.9,-1,;-3.37,-1.47,)|
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CN([C@@H]1C[C@H](CS(=O)(=O)C2C[C@@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wU:11.13,wD:2.1,4.4,(-6.55,.45,;-5.22,-.32,;-3.89,.45,;-3.49,1.94,;-2,1.54,;-.67,2.31,;.67,1.54,;-.1,.21,;1.44,.21,;2,2.31,;3.49,1.91,;3.89,3.4,;2.4,3.8,;5.22,4.17,;6.55,4.94,;-2.4,.05,;-5.22,-1.86,;-6.55,-2.63,;-6.55,-4.17,;-5.22,-4.94,;-3.89,-4.17,;-2.42,-4.64,;-1.52,-3.4,;-2.42,-2.15,;-3.89,-2.63,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2C[C@@H]3C[C@@]3(C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wU:11.11,wD:2.1,4.4,13.16,(-5.78,-.78,;-4.44,-1.55,;-3.11,-.78,;-2.71,.71,;-1.22,.31,;.11,1.08,;1.45,.31,;.68,-1.03,;2.22,-1.03,;2.78,1.08,;4.24,.6,;5.15,1.85,;5.78,3.25,;4.24,3.09,;2.78,2.62,;4.24,4.63,;4.24,6.17,;-1.62,-1.18,;-4.44,-3.09,;-5.78,-3.86,;-5.78,-5.4,;-4.44,-6.17,;-3.11,-5.4,;-1.64,-5.88,;-.74,-4.63,;-1.64,-3.39,;-3.11,-3.86,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@@H]1C[C@@H](C1)C(F)F)c1ncnc2[nH]ccc12 |r,wU:2.1,4.6,wD:10.10,12.15,(-6.55,-1.48,;-5.22,-.71,;-3.89,-1.48,;-3.49,-2.97,;-2,-2.57,;-2.4,-1.09,;-.67,-3.34,;.67,-2.57,;-.1,-1.24,;1.44,-3.91,;2,-1.8,;2.4,-.32,;3.89,-.71,;3.49,-2.2,;5.22,.06,;5.22,1.6,;6.55,-.71,;-5.22,.83,;-6.55,1.6,;-6.55,3.14,;-5.22,3.91,;-3.89,3.14,;-2.42,3.61,;-1.52,2.37,;-2.42,1.12,;-3.89,1.6,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@H]1C[C@@H](C1)C(F)F)c1ncnc2[nH]ccc12 |r,wU:2.1,4.6,12.15,wD:10.10,(-6.55,-1.48,;-5.22,-.71,;-3.89,-1.48,;-3.49,-2.97,;-2,-2.57,;-2.4,-1.09,;-.67,-3.34,;.67,-2.57,;-.1,-1.24,;1.44,-3.91,;2,-1.8,;3.49,-2.2,;3.89,-.71,;2.4,-.32,;5.22,.06,;6.55,-.71,;5.22,1.6,;-5.22,.83,;-6.55,1.6,;-6.55,3.14,;-5.22,3.91,;-3.89,3.14,;-2.42,3.61,;-1.52,2.37,;-2.42,1.12,;-3.89,1.6,)|
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CN([C@@H]1C[C@H](CS(=O)(=O)N2CC3C(C2)C3C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,w:10.10,12.12,wU:4.4,2.1,(3.94,4.83,;3.17,3.5,;1.63,3.5,;.54,4.59,;-.55,3.5,;-2.09,3.5,;-2.86,2.16,;-4.2,2.93,;-1.53,1.39,;-3.63,.83,;-5.17,.83,;-5.65,-.63,;-4.4,-1.54,;-3.16,-.63,;-5.81,-2.16,;-6.58,-3.5,;-7.91,-2.73,;-7.35,-4.83,;-5.25,-4.27,;.54,2.41,;3.94,2.16,;3.17,.83,;3.94,-.5,;5.48,-.5,;6.25,.83,;7.75,1.15,;7.91,2.68,;6.51,3.31,;5.48,2.16,)|
C[C@@H]1CN(CCO1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:11.11,13.16,wD:1.0,(-7.7,-2,;-6.16,-2,;-5.39,-.67,;-3.85,-.67,;-3.08,-2,;-3.85,-3.33,;-5.39,-3.33,;-3.08,.67,;-4.41,1.44,;-1.74,-.1,;-2.31,2,;-.77,2,;.32,3.09,;1.41,2,;.32,.91,;2.95,2,;3.72,3.33,;3.72,.67,;2.95,-.67,;3.72,-2,;5.26,-2,;6.03,-.67,;7.54,-.35,;7.7,1.18,;6.29,1.81,;5.26,.67,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(F)CC2)C1)c1ncnc2[nH]ccc12 |r,wU:4.4,2.1,(2.95,4,;2.18,2.67,;.64,2.67,;-.45,3.76,;-1.54,2.67,;-3.08,2.67,;-3.85,1.33,;-5.18,2.1,;-2.51,.56,;-4.62,,;-6.16,,;-6.93,-1.33,;-6.16,-2.67,;-6.93,-4,;-4.62,-2.67,;-3.85,-1.33,;-.45,1.58,;2.95,1.33,;2.18,,;2.95,-1.33,;4.49,-1.33,;5.26,,;6.77,.32,;6.93,1.85,;5.52,2.48,;4.49,1.33,)|
COCC1CN(CCO1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,w:3.2,wU:13.13,15.18,(-8.85,-3.33,;-7.31,-3.33,;-6.54,-2,;-5,-2,;-4.23,-.67,;-2.69,-.67,;-1.92,-2,;-2.69,-3.33,;-4.23,-3.33,;-1.92,.67,;-3.26,1.44,;-.59,-.1,;-1.15,2,;.39,2,;1.48,3.09,;2.57,2,;1.48,.91,;4.11,2,;4.88,3.33,;4.88,.67,;4.11,-.67,;4.88,-2,;6.42,-2,;7.19,-.67,;8.69,-.35,;8.85,1.18,;7.45,1.81,;6.42,.67,)|
COC1CCN(CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,14.17,(-6.16,-4.67,;-6.93,-3.33,;-6.16,-2,;-6.93,-.67,;-6.16,.67,;-4.62,.67,;-3.85,-.67,;-4.62,-2,;-3.85,2,;-5.18,2.77,;-2.51,1.23,;-3.08,3.33,;-1.54,3.33,;-.45,4.42,;.64,3.33,;-.45,2.25,;2.18,3.33,;2.95,4.67,;2.95,2,;2.18,.67,;2.95,-.67,;4.49,-.67,;5.26,.67,;6.77,.99,;6.93,2.52,;5.52,3.14,;4.49,2,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC3(CC3)CC2)C1)c1ncnc2[nH]ccc12 |r,wU:4.4,2.1,(3.23,4.1,;2.46,2.77,;.92,2.77,;-.17,3.86,;-1.26,2.77,;-2.8,2.77,;-3.57,1.44,;-4.9,2.21,;-2.23,.67,;-4.34,.1,;-5.88,.1,;-6.65,-1.23,;-5.88,-2.56,;-7.21,-3.33,;-5.88,-4.1,;-4.34,-2.56,;-3.57,-1.23,;-.17,1.68,;3.23,1.44,;2.46,.1,;3.23,-1.23,;4.77,-1.23,;5.54,.1,;7.05,.42,;7.21,1.95,;5.8,2.58,;4.77,1.44,)|
CN(Cc1ccncc1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(2.1,1.86,;.76,2.63,;.76,4.17,;-.57,4.94,;-.57,6.48,;-1.91,7.25,;-3.24,6.48,;-3.24,4.94,;-1.91,4.17,;-.57,1.86,;-.57,3.4,;.76,1.09,;-1.91,1.09,;-1.91,-.45,;-2.99,-1.54,;-1.91,-2.63,;-.82,-1.54,;-1.91,-4.17,;-3.24,-4.94,;-.57,-4.94,;-.57,-6.48,;.76,-7.25,;2.1,-6.48,;2.1,-4.94,;3.24,-3.91,;2.61,-2.5,;1.08,-2.66,;.76,-4.17,)|
CO[C@@H]1CN(C[C@H]1F)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:6.7,12.12,14.17,wD:2.1,(-8.11,-1.51,;-6.78,-2.28,;-5.45,-1.51,;-4.97,-.05,;-3.43,-.05,;-2.96,-1.51,;-4.2,-2.42,;-4.2,-3.96,;-2.66,1.29,;-3.99,2.06,;-1.33,.52,;-1.89,2.62,;-.35,2.62,;.74,3.71,;1.83,2.62,;.74,1.53,;3.37,2.62,;4.14,3.96,;4.14,1.29,;3.37,-.05,;4.14,-1.38,;5.68,-1.38,;6.45,-.05,;7.95,.27,;8.11,1.81,;6.71,2.43,;5.68,1.29,)|
C[C@@H]1COCCN1S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:11.11,13.16,1.0,(-6.93,.67,;-6.16,-.67,;-6.93,-2,;-6.16,-3.33,;-4.62,-3.33,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-5.18,1.44,;-2.51,-.1,;-3.08,2,;-1.54,2,;-.45,3.09,;.64,2,;-.45,.91,;2.18,2,;2.95,3.33,;2.95,.67,;2.18,-.67,;2.95,-2,;4.49,-2,;5.26,-.67,;6.77,-.35,;6.93,1.18,;5.52,1.81,;4.49,.67,)|
CO[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,14.17,wD:2.1,(-2.31,-4,;-3.85,-4,;-4.62,-2.67,;-6.16,-2.67,;-6.93,-1.33,;-6.16,,;-4.62,,;-3.85,-1.33,;-3.85,1.33,;-5.18,2.1,;-2.51,.56,;-3.08,2.67,;-1.54,2.67,;-.45,3.76,;.64,2.67,;-.45,1.58,;2.18,2.67,;2.95,4,;2.95,1.33,;2.18,,;2.95,-1.33,;4.49,-1.33,;5.26,,;6.77,.32,;6.93,1.85,;5.52,2.48,;4.49,1.33,)|
C[C@@H]1CN([C@H](C)CO1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,14.17,wD:1.0,4.4,(-7.7,-2,;-6.16,-2,;-5.39,-.67,;-3.85,-.67,;-3.08,-2,;-1.54,-2,;-3.85,-3.33,;-5.39,-3.33,;-3.08,.67,;-4.41,1.44,;-1.74,-.1,;-2.31,2,;-.77,2,;.32,3.09,;1.41,2,;.32,.91,;2.95,2,;3.72,3.33,;3.72,.67,;2.95,-.67,;3.72,-2,;5.26,-2,;6.03,-.67,;7.54,-.35,;7.7,1.18,;6.29,1.81,;5.26,.67,)|
CN(CC1CCCO1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,w:3.7,wD:14.17,12.12,(1.48,2.01,;.15,2.78,;.15,4.32,;1.48,5.09,;2.95,4.61,;3.85,5.86,;2.95,7.1,;1.48,6.63,;-1.18,2.01,;-1.18,3.55,;.15,1.24,;-2.52,1.24,;-2.52,-.3,;-3.61,-1.39,;-2.52,-2.48,;-1.43,-1.39,;-2.52,-4.02,;-3.85,-4.79,;-1.18,-4.79,;-1.18,-6.33,;.15,-7.1,;1.48,-6.33,;1.48,-4.79,;2.63,-3.76,;2,-2.35,;.47,-2.52,;.15,-4.02,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N(C)C2CCOC2)C1)c1ncnc2[nH]ccc12 |r,w:15.15,wD:2.1,4.4,(-3.24,-4.58,;-1.91,-3.81,;-1.91,-2.27,;-2.99,-1.18,;-1.91,-.1,;-1.91,1.44,;-.57,2.21,;-.57,3.75,;.76,1.44,;.76,2.98,;2.1,2.21,;.76,4.52,;2.01,5.43,;1.53,6.89,;-.01,6.89,;-.48,5.43,;-.82,-1.18,;-.57,-4.58,;-.57,-6.12,;.76,-6.89,;2.1,-6.12,;2.1,-4.58,;3.24,-3.55,;2.61,-2.15,;1.08,-2.31,;.76,-3.81,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCOCC2)C1)c1ncnc2[nH]ccc12 |r,wU:4.4,2.1,(2.95,3.33,;2.18,2,;.64,2,;-.45,3.09,;-1.54,2,;-3.08,2,;-3.85,.67,;-5.18,1.44,;-2.51,-.1,;-4.62,-.67,;-6.16,-.67,;-6.93,-2,;-6.16,-3.33,;-4.62,-3.33,;-3.85,-2,;-.45,.91,;2.95,.67,;2.18,-.67,;2.95,-2,;4.49,-2,;5.26,-.67,;6.77,-.35,;6.93,1.18,;5.52,1.81,;4.49,.67,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCOC3(CCCC3)C2)C1)c1ncnc2[nH]ccc12 |r,wU:4.4,2.1,(2.95,4.52,;2.18,3.19,;.64,3.19,;-.45,4.27,;-1.54,3.19,;-3.08,3.19,;-3.85,1.85,;-5.18,2.62,;-2.51,1.08,;-4.62,.52,;-6.16,.52,;-6.93,-.82,;-6.16,-2.15,;-4.62,-2.15,;-5.09,-3.61,;-3.85,-4.52,;-2.6,-3.61,;-3.08,-2.15,;-3.85,-.82,;-.45,2.1,;2.95,1.85,;2.18,.52,;2.95,-.82,;4.49,-.82,;5.26,.52,;6.77,.84,;6.93,2.37,;5.52,3,;4.49,1.85,)|
CN(Cc1cnccn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(1.33,1.86,;,2.63,;,4.17,;1.33,4.94,;1.33,6.48,;2.67,7.25,;4,6.48,;4,4.94,;2.67,4.17,;-1.33,1.86,;-1.33,3.4,;,1.09,;-2.67,1.09,;-2.67,-.45,;-3.76,-1.54,;-2.67,-2.63,;-1.58,-1.54,;-2.67,-4.17,;-4,-4.94,;-1.33,-4.94,;-1.33,-6.48,;,-7.25,;1.33,-6.48,;1.33,-4.94,;2.48,-3.91,;1.85,-2.5,;.32,-2.66,;,-4.17,)|
CCCC(C)N(C)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,w:3.3,wD:13.15,11.10,(-1.91,7.25,;-.57,6.48,;-.57,4.94,;.76,4.17,;2.1,4.94,;.76,2.63,;2.1,1.86,;-.57,1.86,;-.57,3.4,;.76,1.09,;-1.91,1.09,;-1.91,-.45,;-2.99,-1.54,;-1.91,-2.63,;-.82,-1.54,;-1.91,-4.17,;-3.24,-4.94,;-.57,-4.94,;-.57,-6.48,;.76,-7.25,;2.1,-6.48,;2.1,-4.94,;3.24,-3.91,;2.61,-2.5,;1.08,-2.66,;.76,-4.17,)|
CCCCN(C)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(20.04,-11.87,;18.7,-12.63,;17.37,-11.86,;16.03,-12.62,;14.69,-11.84,;14.7,-10.3,;13.35,-12.61,;14.12,-13.94,;12.58,-13.93,;12.02,-11.85,;10.69,-12.62,;9.2,-12.23,;8.81,-13.72,;10.3,-14.11,;7.48,-14.5,;6.15,-13.73,;7.49,-16.04,;6.16,-16.81,;6.15,-18.35,;7.49,-19.12,;8.83,-18.34,;10.3,-18.81,;11.2,-17.56,;10.29,-16.31,;8.82,-16.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCCC3(COC3)C2)C1)c1ncnc2[nH]ccc12 |r,wU:4.4,2.1,(2.95,4.28,;2.18,2.94,;.64,2.94,;-.45,4.03,;-1.54,2.94,;-3.08,2.94,;-3.85,1.61,;-5.18,2.38,;-2.51,.84,;-4.62,.28,;-6.16,.28,;-6.93,-1.06,;-6.16,-2.39,;-4.62,-2.39,;-5.02,-3.88,;-3.53,-4.28,;-3.13,-2.79,;-3.85,-1.06,;-.45,1.85,;2.95,1.61,;2.18,.28,;2.95,-1.06,;4.49,-1.06,;5.26,.28,;6.77,.6,;6.93,2.13,;5.52,2.75,;4.49,1.61,)|
CO[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:11.11,13.16,wD:2.1,(-4.2,-4.34,;-5.53,-3.57,;-5.53,-2.03,;-6.78,-1.13,;-6.3,.34,;-4.76,.34,;-4.29,-1.13,;-3.99,1.67,;-5.33,2.44,;-2.66,.9,;-3.22,3.01,;-1.68,3.01,;-.6,4.1,;.49,3.01,;-.6,1.92,;2.03,3.01,;2.8,4.34,;2.8,1.67,;2.03,.34,;2.8,-.99,;4.34,-.99,;5.11,.34,;6.62,.66,;6.78,2.19,;5.37,2.82,;4.34,1.67,)|
CN(Cc1cccnc1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(1.33,1.86,;,2.63,;,4.17,;1.33,4.94,;2.67,4.17,;4,4.94,;4,6.48,;2.67,7.25,;1.33,6.48,;-1.33,1.86,;-1.33,3.4,;,1.09,;-2.67,1.09,;-2.67,-.45,;-3.76,-1.54,;-2.67,-2.63,;-1.58,-1.54,;-2.67,-4.17,;-4,-4.94,;-1.33,-4.94,;-1.33,-6.48,;,-7.25,;1.33,-6.48,;1.33,-4.94,;2.48,-3.91,;1.85,-2.5,;.32,-2.66,;,-4.17,)|
COCCOC1CCN(CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.15,17.20,(-6.93,-6.67,;-6.16,-5.33,;-6.93,-4,;-6.16,-2.67,;-6.93,-1.33,;-6.16,,;-6.93,1.33,;-6.16,2.67,;-4.62,2.67,;-3.85,1.33,;-4.62,,;-3.85,4,;-5.18,4.77,;-2.51,3.23,;-3.08,5.33,;-1.54,5.33,;-.45,6.42,;.64,5.33,;-.45,4.25,;2.18,5.33,;2.95,6.67,;2.95,4,;2.18,2.67,;2.95,1.33,;4.49,1.33,;5.26,2.67,;6.77,2.99,;6.93,4.52,;5.52,5.15,;4.49,4,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC3(C2)CCOCC3)C1)c1ncnc2[nH]ccc12 |r,wU:4.4,2.1,(4.14,3.89,;3.37,2.55,;1.83,2.55,;.74,3.64,;-.35,2.55,;-1.89,2.55,;-2.66,1.22,;-3.99,1.99,;-1.33,.45,;-3.43,-.11,;-2.96,-1.58,;-4.2,-2.48,;-5.45,-1.58,;-4.97,-.11,;-6.78,-.81,;-8.11,-1.58,;-8.11,-3.12,;-6.78,-3.89,;-5.45,-3.12,;.74,1.47,;4.14,1.22,;3.37,-.11,;4.14,-1.45,;5.68,-1.45,;6.45,-.11,;7.95,.21,;8.11,1.74,;6.71,2.36,;5.68,1.22,)|
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CCOCC1(F)CCN(CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.15,17.20,(-8.43,-5.22,;-8.03,-3.73,;-6.54,-3.33,;-6.14,-1.85,;-4.66,-1.45,;-4.26,-2.94,;-5.43,-.11,;-4.66,1.22,;-3.12,1.22,;-2.35,-.11,;-3.12,-1.45,;-2.35,2.55,;-3.68,3.32,;-1.01,1.78,;-1.58,3.89,;-.04,3.89,;1.05,4.98,;2.14,3.89,;1.05,2.8,;3.68,3.89,;4.45,5.22,;4.45,2.55,;3.68,1.22,;4.45,-.11,;5.99,-.11,;6.76,1.22,;8.27,1.54,;8.43,3.07,;7.02,3.7,;5.99,2.55,)|
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CO[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:14.15,16.20,7.9,2.1,wD:4.10,TLB:1:2:5.6:9,(-3.79,-6.04,;-4.88,-4.95,;-4.48,-3.47,;-5.03,-1.73,;-5.89,-.45,;-7.38,-.1,;-6.05,.67,;-4.55,.37,;-3.74,-.94,;-4.16,2.04,;-3.39,3.37,;-4.73,4.14,;-2.06,2.6,;-2.62,4.71,;-1.08,4.71,;.01,5.8,;1.09,4.71,;.01,3.62,;2.63,4.71,;3.4,6.04,;3.4,3.37,;2.63,2.04,;3.4,.71,;4.94,.71,;5.71,2.04,;7.22,2.36,;7.38,3.89,;5.98,4.52,;4.94,3.37,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCCCC2)C1)c1ncnc2[nH]ccc12 |r,wU:4.4,2.1,(2.95,3.33,;2.18,2,;.64,2,;-.45,3.09,;-1.54,2,;-3.08,2,;-3.85,.67,;-5.18,1.44,;-2.51,-.1,;-4.62,-.67,;-6.16,-.67,;-6.93,-2,;-6.16,-3.33,;-4.62,-3.33,;-3.85,-2,;-.45,.91,;2.95,.67,;2.18,-.67,;2.95,-2,;4.49,-2,;5.26,-.67,;6.77,-.35,;6.93,1.18,;5.52,1.81,;4.49,.67,)|
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CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(F)C2)C1)c1ncnc2[nH]ccc12 |r,w:12.12,wU:4.4,2.1,(2.8,3.96,;2.03,2.62,;.49,2.62,;-.6,3.71,;-1.68,2.62,;-3.22,2.62,;-3.99,1.29,;-5.33,2.06,;-2.66,.52,;-4.76,-.05,;-6.3,-.05,;-6.78,-1.51,;-5.53,-2.42,;-5.53,-3.96,;-4.29,-1.51,;-.6,1.53,;2.8,1.29,;2.03,-.05,;2.8,-1.38,;4.34,-1.38,;5.11,-.05,;6.62,.27,;6.78,1.81,;5.37,2.43,;4.34,1.29,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N(C)C2CCC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-3.24,-4.49,;-1.91,-3.72,;-1.91,-2.18,;-2.99,-1.09,;-1.91,,;-1.91,1.54,;-.57,2.31,;-.57,3.85,;.76,1.54,;.76,3.08,;2.1,2.31,;.76,4.62,;1.85,5.71,;.76,6.8,;-.33,5.71,;-.82,-1.09,;-.57,-4.49,;-.57,-6.03,;.76,-6.8,;2.1,-6.03,;2.1,-4.49,;3.24,-3.46,;2.61,-2.05,;1.08,-2.21,;.76,-3.72,)|
C[C@@H]1OCC[C@@H]1N(C)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:5.6,1.0,wD:14.17,12.12,(3.29,4.66,;1.96,5.43,;1.48,6.89,;-.06,6.89,;-.54,5.43,;.71,4.52,;.71,2.98,;2.04,2.21,;-.62,2.21,;-.62,3.75,;.71,1.44,;-1.96,1.44,;-1.96,-.1,;-3.05,-1.18,;-1.96,-2.27,;-.87,-1.18,;-1.96,-3.81,;-3.29,-4.58,;-.62,-4.58,;-.62,-6.12,;.71,-6.89,;2.04,-6.12,;2.04,-4.58,;3.19,-3.55,;2.56,-2.15,;1.03,-2.31,;.71,-3.81,)|
C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:1.0,12.12,14.17,5.5,(-7.7,-1.33,;-6.16,-1.33,;-5.39,,;-3.85,,;-3.08,-1.33,;-3.85,-2.67,;-3.08,-4,;-5.39,-2.67,;-3.08,1.33,;-4.41,2.1,;-1.74,.56,;-2.31,2.67,;-.77,2.67,;.32,3.76,;1.41,2.67,;.32,1.58,;2.95,2.67,;3.72,4,;3.72,1.33,;2.95,,;3.72,-1.33,;5.26,-1.33,;6.03,,;7.54,.32,;7.7,1.85,;6.29,2.48,;5.26,1.33,)|
COCC1CCCN(C1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,w:3.2,wU:13.13,15.18,(-1.54,-4.67,;-2.31,-3.33,;-3.85,-3.33,;-4.62,-2,;-6.16,-2,;-6.93,-.67,;-6.16,.67,;-4.62,.67,;-3.85,-.67,;-3.85,2,;-5.18,2.77,;-2.51,1.23,;-3.08,3.33,;-1.54,3.33,;-.45,4.42,;.64,3.33,;-.45,2.25,;2.18,3.33,;2.95,4.67,;2.95,2,;2.18,.67,;2.95,-.67,;4.49,-.67,;5.26,.67,;6.77,.99,;6.93,2.52,;5.52,3.14,;4.49,2,)|
COC1CCCN(C1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,w:2.1,wU:12.12,14.17,(-2.31,-4,;-3.85,-4,;-4.62,-2.67,;-6.16,-2.67,;-6.93,-1.33,;-6.16,,;-4.62,,;-3.85,-1.33,;-3.85,1.33,;-5.18,2.1,;-2.51,.56,;-3.08,2.67,;-1.54,2.67,;-.45,3.76,;.64,2.67,;-.45,1.58,;2.18,2.67,;2.95,4,;2.95,1.33,;2.18,,;2.95,-1.33,;4.49,-1.33,;5.26,,;6.77,.32,;6.93,1.85,;5.52,2.48,;4.49,1.33,)|
CCC1CN(CCO1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,w:2.1,wU:12.12,14.17,(-8.08,-3.33,;-7.31,-2,;-5.77,-2,;-5,-.67,;-3.46,-.67,;-2.69,-2,;-3.46,-3.33,;-5,-3.33,;-2.69,.67,;-4.03,1.44,;-1.36,-.1,;-1.92,2,;-.38,2,;.71,3.09,;1.8,2,;.71,.91,;3.34,2,;4.11,3.33,;4.11,.67,;3.34,-.67,;4.11,-2,;5.65,-2,;6.42,-.67,;7.92,-.35,;8.08,1.18,;6.68,1.81,;5.65,.67,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N(C)C2CCCOC2)C1)c1ncnc2[nH]ccc12 |r,w:16.16,wD:2.1,4.4,(-3.24,-4.94,;-1.91,-4.17,;-1.91,-2.63,;-2.99,-1.54,;-1.91,-.45,;-1.91,1.09,;-.57,1.86,;-.57,3.4,;.76,1.09,;.76,2.63,;2.1,1.86,;.76,4.17,;2.1,4.94,;2.1,6.48,;.76,7.25,;-.57,6.48,;-.57,4.94,;-.82,-1.54,;-.57,-4.94,;-.57,-6.48,;.76,-7.25,;2.1,-6.48,;2.1,-4.94,;3.24,-3.91,;2.61,-2.5,;1.08,-2.66,;.76,-4.17,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(C2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,w:12.14,wD:2.1,4.4,(-5.43,-.96,;-4.1,-1.73,;-2.76,-.96,;-2.37,.53,;-.88,.13,;.45,.9,;1.79,.13,;1.02,-1.2,;2.56,-1.2,;3.12,.9,;4.66,.9,;5.14,2.36,;3.89,3.27,;2.65,2.36,;3.89,4.81,;3.89,6.35,;2.35,4.81,;5.43,4.81,;-1.28,-1.36,;-4.1,-3.27,;-5.43,-4.04,;-5.43,-5.58,;-4.1,-6.35,;-2.76,-5.58,;-1.3,-6.06,;-.39,-4.81,;-1.3,-3.56,;-2.76,-4.04,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(C2)C(F)F)C1)c1ncnc2[nH]ccc12 |r,w:12.14,wD:2.1,4.4,(-6.44,.37,;-5.11,-.4,;-3.77,.37,;-3.37,1.85,;-1.89,1.46,;-.55,2.23,;.78,1.46,;.01,.12,;1.55,.12,;2.11,2.23,;1.64,3.69,;2.88,4.6,;4.13,3.69,;3.65,2.23,;5.67,3.69,;6.44,5.02,;6.44,2.36,;-2.29,-.03,;-5.11,-1.94,;-6.44,-2.71,;-6.44,-4.25,;-5.11,-5.02,;-3.77,-4.25,;-2.31,-4.73,;-1.4,-3.48,;-2.31,-2.24,;-3.77,-2.71,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.29,-.09,;-3.95,-.86,;-2.62,-.09,;-2.22,1.4,;-.73,1,;.6,1.77,;1.94,1,;1.17,-.33,;2.71,-.33,;3.27,1.77,;4.81,1.77,;5.29,3.24,;4.04,4.14,;3.27,5.48,;4.81,5.48,;2.79,3.24,;-1.13,-.48,;-3.95,-2.4,;-5.29,-3.17,;-5.29,-4.71,;-3.95,-5.48,;-2.62,-4.71,;-1.15,-5.18,;-.25,-3.94,;-1.15,-2.69,;-2.62,-3.17,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC(Cl)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.89,.84,;-4.55,.07,;-3.22,.84,;-2.82,2.32,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;4.15,2.3,;4.55,3.78,;5.89,4.55,;3.07,4.18,;-1.73,.44,;-4.55,-1.47,;-5.89,-2.24,;-5.89,-3.78,;-4.55,-4.55,;-3.22,-3.78,;-1.76,-4.26,;-.85,-3.01,;-1.76,-1.77,;-3.22,-2.24,)|
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CN([C@@H]1C[C@H](CS(=O)(=O)N2CCN(CC2)C(=O)C2CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-7.28,-.77,;-5.94,-1.54,;-4.61,-.77,;-4.21,.72,;-2.72,.32,;-1.39,1.09,;-.06,.32,;-.83,-1.02,;.71,-1.02,;1.03,1.41,;2.52,1.01,;3.61,2.1,;3.21,3.58,;1.72,3.98,;.64,2.89,;4.3,4.67,;3.9,6.16,;5.79,4.28,;6.88,3.19,;7.28,4.67,;-3.12,-1.17,;-5.94,-3.08,;-7.28,-3.85,;-7.28,-5.39,;-5.94,-6.16,;-4.61,-5.39,;-3.14,-5.87,;-2.24,-4.62,;-3.14,-3.38,;-4.61,-3.85,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC3(COC3)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.28,1.38,;-2.94,.61,;-1.61,1.38,;-1.21,2.87,;.28,2.47,;1.61,3.24,;2.94,2.47,;4.28,3.24,;2.94,4.01,;2.94,.93,;1.85,-.16,;2.94,-1.25,;1.85,-2.34,;2.94,-3.43,;4.03,-2.34,;4.03,-.16,;-.12,.98,;-2.94,-.93,;-4.28,-1.7,;-4.28,-3.24,;-2.94,-4.01,;-1.61,-3.24,;-.15,-3.72,;.76,-2.47,;-.15,-1.22,;-1.61,-1.7,)|
CC1CN(C1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.14,9.9,(2.94,-2.79,;2.94,-1.25,;1.85,-.16,;2.94,.93,;4.03,-.16,;2.94,2.47,;4.28,3.24,;2.94,4.01,;1.61,3.24,;.28,2.47,;-1.21,2.87,;-1.61,1.38,;-.12,.98,;-2.94,.61,;-4.28,1.38,;-2.94,-.93,;-4.28,-1.7,;-4.28,-3.24,;-2.94,-4.01,;-1.61,-3.24,;-.15,-3.72,;.76,-2.47,;-.15,-1.22,;-1.61,-1.7,)|
COC1(C)CN(C1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:13.16,11.11,(1.61,-3.56,;2.94,-2.79,;2.94,-1.25,;4.28,-2.02,;1.85,-.16,;2.94,.93,;4.03,-.16,;2.94,2.47,;4.28,3.24,;2.94,4.01,;1.61,3.24,;.28,2.47,;-1.21,2.87,;-1.61,1.38,;-.12,.98,;-2.94,.61,;-4.28,1.38,;-2.94,-.93,;-4.28,-1.7,;-4.28,-3.24,;-2.94,-4.01,;-1.61,-3.24,;-.15,-3.72,;.76,-2.47,;-.15,-1.22,;-1.61,-1.7,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC(C)(O)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.28,1.38,;-2.94,.61,;-1.61,1.38,;-1.21,2.87,;.28,2.47,;1.61,3.24,;2.94,2.47,;4.28,3.24,;2.94,4.01,;2.94,.93,;1.85,-.16,;2.94,-1.25,;2.94,-2.79,;4.28,-2.02,;4.03,-.16,;-.12,.98,;-2.94,-.93,;-4.28,-1.7,;-4.28,-3.24,;-2.94,-4.01,;-1.61,-3.24,;-.15,-3.72,;.76,-2.47,;-.15,-1.22,;-1.61,-1.7,)|
COC1CN(C1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.15,10.10,(1.61,-3.56,;2.94,-2.79,;2.94,-1.25,;1.85,-.16,;2.94,.93,;4.03,-.16,;2.94,2.47,;4.28,3.24,;2.94,4.01,;1.61,3.24,;.28,2.47,;-1.21,2.87,;-1.61,1.38,;-.12,.98,;-2.94,.61,;-4.28,1.38,;-2.94,-.93,;-4.28,-1.7,;-4.28,-3.24,;-2.94,-4.01,;-1.61,-3.24,;-.15,-3.72,;.76,-2.47,;-.15,-1.22,;-1.61,-1.7,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC(F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.28,1.38,;-2.94,.61,;-1.61,1.38,;-1.21,2.87,;.28,2.47,;1.61,3.24,;2.94,2.47,;4.28,3.24,;2.94,4.01,;2.94,.93,;1.85,-.16,;2.94,-1.25,;2.94,-2.79,;4.03,-.16,;-.12,.98,;-2.94,-.93,;-4.28,-1.7,;-4.28,-3.24,;-2.94,-4.01,;-1.61,-3.24,;-.15,-3.72,;.76,-2.47,;-.15,-1.22,;-1.61,-1.7,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC3(CCO3)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.28,1.38,;-2.94,.61,;-1.61,1.38,;-1.21,2.87,;.28,2.47,;1.61,3.24,;2.94,2.47,;4.28,3.24,;2.94,4.01,;2.94,.93,;1.85,-.16,;2.94,-1.25,;1.85,-2.34,;2.94,-3.43,;4.03,-2.34,;4.03,-.16,;-.12,.98,;-2.94,-.93,;-4.28,-1.7,;-4.28,-3.24,;-2.94,-4.01,;-1.61,-3.24,;-.15,-3.72,;.76,-2.47,;-.15,-1.22,;-1.61,-1.7,)|
COCC1CCN(CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:13.13,15.18,(-6.93,-5.33,;-6.16,-4,;-6.93,-2.67,;-6.16,-1.33,;-6.93,,;-6.16,1.33,;-4.62,1.33,;-3.85,,;-4.62,-1.33,;-3.85,2.67,;-5.18,3.44,;-2.51,1.9,;-3.08,4,;-1.54,4,;-.45,5.09,;.64,4,;-.45,2.91,;2.18,4,;2.95,5.33,;2.95,2.67,;2.18,1.33,;2.95,,;4.49,,;5.26,1.33,;6.77,1.65,;6.93,3.19,;5.52,3.81,;4.49,2.67,)|
CN(CC(F)(F)F)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:13.15,11.10,(2.1,2.35,;.76,3.12,;.76,4.66,;-.57,5.43,;-1.91,6.2,;.2,6.76,;-1.34,4.09,;-.57,2.35,;-.57,3.89,;.76,1.58,;-1.91,1.58,;-1.91,.04,;-2.99,-1.05,;-1.91,-2.14,;-.82,-1.05,;-1.91,-3.68,;-3.24,-4.45,;-.57,-4.45,;-.57,-5.99,;.76,-6.76,;2.1,-5.99,;2.1,-4.45,;3.24,-3.42,;2.61,-2.01,;1.08,-2.17,;.76,-3.68,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC(CC(F)F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.93,;-3.61,1.15,;-2.28,1.93,;-1.88,3.41,;-.39,3.01,;.94,3.78,;2.28,3.01,;3.61,3.78,;2.28,4.55,;2.28,1.47,;1.19,.38,;2.28,-.7,;2.28,-2.24,;3.61,-3.01,;3.61,-4.55,;4.94,-2.24,;3.37,.38,;-.79,1.53,;-3.61,-.38,;-4.94,-1.15,;-4.94,-2.69,;-3.61,-3.47,;-2.28,-2.69,;-.81,-3.17,;.09,-1.93,;-.81,-.68,;-2.28,-1.15,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.85,.84,;-4.52,.07,;-3.19,.84,;-3.19,2.38,;-1.65,2.38,;-.56,3.47,;.93,3.07,;1.33,4.55,;.53,1.58,;2.42,2.67,;3.19,1.33,;4.52,2.1,;5.85,2.87,;5.29,.77,;3.75,3.44,;-1.65,.84,;-4.52,-1.47,;-5.85,-2.24,;-5.85,-3.78,;-4.52,-4.55,;-3.19,-3.78,;-1.72,-4.26,;-.82,-3.01,;-1.72,-1.77,;-3.19,-2.24,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC(C2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.28,1.51,;-2.94,.74,;-1.61,1.51,;-1.21,3,;.28,2.6,;1.61,3.37,;2.94,2.6,;4.28,3.37,;2.94,4.14,;2.94,1.06,;1.85,-.03,;2.94,-1.12,;4.03,-.03,;2.94,-2.66,;1.61,-3.43,;3.34,-4.14,;4.28,-3.43,;-.12,1.12,;-2.94,-.8,;-4.28,-1.57,;-4.28,-3.11,;-2.94,-3.88,;-1.61,-3.11,;-.15,-3.58,;.76,-2.34,;-.15,-1.09,;-1.61,-1.57,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC(C2)OC(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.93,;-3.61,1.16,;-2.28,1.93,;-1.88,3.41,;-.39,3.01,;.94,3.78,;2.28,3.01,;2.28,4.55,;3.61,3.78,;2.28,1.47,;1.19,.38,;2.28,-.7,;3.37,.38,;2.28,-2.24,;3.61,-3.01,;3.61,-4.55,;4.94,-2.24,;-.79,1.53,;-3.61,-.38,;-4.94,-1.15,;-4.94,-2.69,;-3.61,-3.46,;-2.28,-2.69,;-.81,-3.17,;.09,-1.92,;-.81,-.68,;-2.28,-1.15,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C2CCC(C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.23,-.44,;-4.9,-1.21,;-3.81,-.12,;-3.81,1.42,;-2.27,1.42,;-1.18,2.51,;.31,2.11,;-.46,.77,;1.08,.77,;1.4,3.2,;.92,4.66,;2.17,5.57,;3.41,4.66,;2.94,3.2,;4.9,5.06,;6.23,5.83,;-2.27,-.12,;-4.9,-2.75,;-6.23,-3.52,;-6.23,-5.06,;-4.9,-5.83,;-3.57,-5.06,;-2.1,-5.54,;-1.2,-4.29,;-2.1,-3.04,;-3.57,-3.52,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CC2CC(C)(C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.76,.33,;-5.43,-.44,;-4.34,.65,;-4.34,2.19,;-2.8,2.19,;-1.71,3.28,;-.22,2.88,;-.99,1.55,;.55,1.55,;.87,3.97,;2.41,3.97,;3.5,2.88,;4.58,3.97,;5.67,5.06,;3.5,5.06,;5.67,2.88,;6.76,1.79,;-2.8,.65,;-5.43,-1.98,;-6.76,-2.75,;-6.76,-4.29,;-5.43,-5.06,;-4.09,-4.29,;-2.63,-4.76,;-1.72,-3.52,;-2.63,-2.27,;-4.09,-2.75,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C2CC(C2)C(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.35,-1.52,;-4.02,-2.29,;-2.93,-1.2,;-2.93,.34,;-1.39,.34,;-.3,1.42,;1.19,1.03,;.42,-.31,;1.96,-.31,;1.96,2.36,;3.44,2.76,;3.04,4.25,;1.56,3.85,;3.81,5.58,;3.04,6.91,;5.35,5.58,;-1.39,-1.2,;-4.02,-3.83,;-5.35,-4.6,;-5.35,-6.14,;-4.02,-6.91,;-2.69,-6.14,;-1.22,-6.62,;-.32,-5.37,;-1.22,-4.13,;-2.69,-4.6,)|
CC(C)C(=O)N1CC(C1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(6.76,5.05,;5.67,3.96,;6.07,2.47,;4.18,4.35,;3.78,5.84,;3.09,3.27,;3.09,1.73,;1.55,1.73,;1.55,3.27,;.46,.64,;-.63,-.45,;.86,-.85,;-.87,1.41,;-2.2,.64,;-3.69,1.04,;-4.09,-.45,;-2.6,-.85,;-5.42,-1.22,;-6.76,-.45,;-5.42,-2.76,;-6.76,-3.53,;-6.76,-5.07,;-5.42,-5.84,;-4.09,-5.07,;-2.63,-5.55,;-1.72,-4.3,;-2.63,-3.06,;-4.09,-3.53,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C2CN(C2)C(=O)C2CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.96,-.45,;-5.62,-1.22,;-4.29,-.45,;-3.89,1.04,;-2.4,.64,;-1.07,1.41,;.26,.64,;-.83,-.45,;.66,-.85,;1.35,1.73,;2.89,1.73,;2.89,3.27,;1.35,3.27,;3.98,4.35,;3.58,5.84,;5.47,3.96,;6.56,2.87,;6.96,4.35,;-2.8,-.85,;-5.62,-2.76,;-6.96,-3.53,;-6.96,-5.07,;-5.62,-5.84,;-4.29,-5.07,;-2.82,-5.55,;-1.92,-4.3,;-2.82,-3.06,;-4.29,-3.53,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C2CN(C2)C(C)=O)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.21,-.45,;-4.88,-1.22,;-3.55,-.45,;-3.15,1.04,;-1.66,.64,;-.33,1.41,;1.01,.64,;-.08,-.45,;1.41,-.85,;2.1,1.73,;3.64,1.73,;3.64,3.27,;2.1,3.27,;4.73,4.35,;6.21,3.96,;4.33,5.84,;-2.06,-.85,;-4.88,-2.76,;-6.21,-3.53,;-6.21,-5.07,;-4.88,-5.84,;-3.55,-5.07,;-2.08,-5.55,;-1.18,-4.3,;-2.08,-3.06,;-3.55,-3.53,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C2CN(CC3CC3)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.96,.29,;-5.62,-.48,;-4.29,.29,;-3.89,1.78,;-2.4,1.38,;-1.07,2.15,;.26,1.38,;-.83,.29,;.66,-.11,;1.35,2.47,;2.89,2.47,;2.89,4.01,;3.98,5.1,;5.47,4.7,;6.56,3.61,;6.96,5.1,;1.35,4.01,;-2.8,-.11,;-5.62,-2.02,;-6.96,-2.79,;-6.96,-4.33,;-5.62,-5.1,;-4.29,-4.33,;-2.82,-4.8,;-1.92,-3.56,;-2.82,-2.31,;-4.29,-2.79,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C2CN(CC(F)F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.76,-.05,;-5.42,-.82,;-4.09,-.05,;-3.69,1.43,;-2.2,1.04,;-.87,1.81,;.46,1.04,;-.63,-.05,;.86,-.45,;1.55,2.12,;3.09,2.12,;3.09,3.66,;4.18,4.75,;5.67,4.35,;6.76,5.44,;6.07,2.87,;1.55,3.66,;-2.6,-.45,;-5.42,-2.36,;-6.76,-3.13,;-6.76,-4.67,;-5.42,-5.44,;-4.09,-4.67,;-2.63,-5.15,;-1.72,-3.9,;-2.63,-2.66,;-4.09,-3.13,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C2CN(C2)C2CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-3.71,-2.3,;-2.38,-3.07,;-1.05,-2.3,;-.65,-.81,;.84,-1.21,;2.17,-.44,;2.17,1.1,;.63,1.1,;3.71,1.1,;2.17,2.64,;3.26,3.73,;2.17,4.82,;1.08,3.73,;2.17,6.36,;2.94,7.69,;1.4,7.69,;.44,-2.7,;-2.38,-4.61,;-3.71,-5.38,;-3.71,-6.92,;-2.38,-7.69,;-1.05,-6.92,;.42,-7.4,;1.32,-6.15,;.42,-4.9,;-1.05,-5.38,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C2CN(CC(F)(F)F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.76,-.05,;-5.42,-.82,;-4.09,-.05,;-3.69,1.43,;-2.2,1.04,;-.87,1.81,;.46,1.04,;-.63,-.05,;.86,-.45,;1.55,2.12,;3.09,2.12,;3.09,3.66,;4.18,4.75,;5.67,4.35,;6.76,5.44,;6.07,2.87,;4.9,3.02,;1.55,3.66,;-2.6,-.45,;-5.42,-2.36,;-6.76,-3.13,;-6.76,-4.67,;-5.42,-5.44,;-4.09,-4.67,;-2.63,-5.15,;-1.72,-3.9,;-2.63,-2.66,;-4.09,-3.13,)|
CN([C@@H]1C[C@H](CS(=O)(=O)[C@H]2CC[C@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wU:9.8,12.14,wD:2.1,4.4,(-6.31,-.31,;-4.98,-1.08,;-3.89,.01,;-3.89,1.55,;-2.35,1.55,;-1.26,2.64,;.23,2.24,;-.54,.91,;1.32,1.15,;1.32,3.33,;.84,4.79,;2.09,5.7,;3.33,4.79,;2.86,3.33,;4.82,5.19,;6.31,5.59,;-2.35,.01,;-4.98,-2.62,;-6.31,-3.39,;-6.31,-4.93,;-4.98,-5.7,;-3.64,-4.93,;-2.18,-5.4,;-1.27,-4.16,;-2.18,-2.91,;-3.64,-3.39,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C2CN(C2)C2CCC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.24,-.48,;-4.91,-1.25,;-3.57,-.48,;-3.17,1.01,;-1.69,.61,;-.35,1.38,;.98,.61,;.21,-.72,;1.75,-.72,;2.07,1.7,;3.61,1.7,;3.61,3.24,;2.07,3.24,;4.7,4.33,;6.24,4.33,;6.24,5.87,;4.7,5.87,;-2.08,-.88,;-4.91,-2.79,;-6.24,-3.56,;-6.24,-5.1,;-4.91,-5.87,;-3.57,-5.1,;-2.11,-5.57,;-1.2,-4.33,;-2.11,-3.08,;-3.57,-3.56,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CC2(C)CC(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.13,.17,;-4.79,-.6,;-3.7,.49,;-3.7,2.03,;-2.16,2.03,;-1.07,3.11,;.41,2.72,;-.36,1.38,;1.5,1.63,;1.35,3.94,;2.88,3.74,;2.48,5.22,;3.82,2.51,;5.04,3.45,;6.13,4.54,;5.81,2.12,;4.1,4.67,;-2.16,.49,;-4.79,-2.14,;-6.13,-2.91,;-6.13,-4.45,;-4.79,-5.22,;-3.46,-4.45,;-1.99,-4.93,;-1.09,-3.68,;-1.99,-2.44,;-3.46,-2.91,)|
CO[C@H]1C[C@@H](C1)N1CC(C1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:4.6,wD:16.20,14.15,2.1,(7.53,6.01,;6.04,6.41,;4.95,5.32,;3.41,5.32,;3.41,3.78,;4.95,3.78,;2.32,2.7,;2.32,1.16,;.78,1.16,;.78,2.7,;-.31,.07,;-1.4,-1.02,;.46,-1.27,;-1.64,.84,;-2.97,.07,;-4.46,.46,;-4.86,-1.02,;-3.37,-1.42,;-6.19,-1.79,;-7.53,-1.02,;-6.19,-3.33,;-7.53,-4.1,;-7.53,-5.64,;-6.19,-6.41,;-4.86,-5.64,;-3.4,-6.12,;-2.49,-4.87,;-3.4,-3.63,;-4.86,-4.1,)|
CCC(CC)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(4.81,3.23,;4.04,1.89,;2.5,1.89,;1.73,.56,;.19,.56,;1.73,3.23,;2.13,4.71,;1.33,1.74,;.24,3.62,;-.85,2.54,;-2.39,2.54,;-2.39,1,;-.85,1,;-3.48,-.09,;-4.81,.68,;-3.48,-1.63,;-4.81,-2.4,;-4.81,-3.94,;-3.48,-4.71,;-2.14,-3.94,;-.68,-4.42,;.23,-3.17,;-.68,-1.93,;-2.14,-2.4,)|
COCCCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(3.65,-3.44,;2.88,-2.11,;3.65,-.78,;2.88,.56,;3.65,1.89,;2.88,3.23,;3.28,4.71,;2.49,1.74,;1.4,3.62,;.31,2.54,;-1.23,2.54,;-1.23,1,;.31,1,;-2.32,-.09,;-3.65,.68,;-2.32,-1.63,;-3.65,-2.4,;-3.65,-3.94,;-2.32,-4.71,;-.99,-3.94,;.48,-4.42,;1.38,-3.17,;.48,-1.93,;-.99,-2.4,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CC2CCCCC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.96,.68,;-4.63,-.09,;-3.54,1,;-3.54,2.54,;-2,2.54,;-.91,3.62,;.57,3.23,;.97,4.71,;.18,1.74,;1.34,1.89,;2.88,1.89,;3.65,.56,;5.19,.56,;5.96,1.89,;5.19,3.23,;3.65,3.23,;-2,1,;-4.63,-1.63,;-5.96,-2.4,;-5.96,-3.94,;-4.63,-4.71,;-3.3,-3.94,;-1.83,-4.42,;-.93,-3.17,;-1.83,-1.93,;-3.3,-2.4,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CCCF)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-3.65,.68,;-2.32,-.09,;-1.23,1,;-1.23,2.54,;.31,2.54,;1.4,3.62,;2.88,3.23,;3.28,4.71,;2.49,1.74,;3.65,1.89,;2.88,.56,;3.65,-.78,;2.88,-2.11,;.31,1,;-2.32,-1.63,;-3.65,-2.4,;-3.65,-3.94,;-2.32,-4.71,;-.99,-3.94,;.48,-4.42,;1.38,-3.17,;.48,-1.93,;-.99,-2.4,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C2COC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.4,.68,;-3.06,-.09,;-1.98,1,;-1.98,2.54,;-.44,2.54,;.65,3.62,;2.14,3.23,;2.54,4.71,;1.74,1.74,;2.91,1.89,;2.51,.4,;4,.01,;4.4,1.49,;-.44,1,;-3.06,-1.63,;-4.4,-2.4,;-4.4,-3.94,;-3.06,-4.71,;-1.73,-3.94,;-.27,-4.42,;.64,-3.17,;-.27,-1.93,;-1.73,-2.4,)|
CC(C)CCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(2.11,-2.11,;2.88,-.78,;4.42,-.78,;2.11,.56,;2.88,1.89,;2.11,3.23,;2.51,4.71,;1.72,1.74,;.63,3.62,;-.46,2.54,;-2,2.54,;-2,1,;-.46,1,;-3.09,-.09,;-4.42,.68,;-3.09,-1.63,;-4.42,-2.4,;-4.42,-3.94,;-3.09,-4.71,;-1.76,-3.94,;-.29,-4.42,;.61,-3.17,;-.29,-1.93,;-1.76,-2.4,)|
CCC(CC)CS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(.57,-.78,;1.34,.56,;2.88,.56,;3.65,-.78,;2.88,-2.11,;3.65,1.89,;2.88,3.23,;3.28,4.71,;2.49,1.74,;1.4,3.62,;.31,2.54,;-1.23,2.54,;-1.23,1,;.31,1,;-2.32,-.09,;-3.65,.68,;-2.32,-1.63,;-3.65,-2.4,;-3.65,-3.94,;-2.32,-4.71,;-.99,-3.94,;.48,-4.42,;1.38,-3.17,;.48,-1.93,;-.99,-2.4,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CC2CCOC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.58,.68,;-4.25,-.09,;-3.16,1,;-3.16,2.54,;-1.62,2.54,;-.53,3.62,;.96,3.23,;1.35,4.71,;.56,1.74,;1.73,1.89,;3.21,2.29,;4.12,1.04,;5.58,1.52,;5.58,3.06,;4.12,3.54,;-1.62,1,;-4.25,-1.63,;-5.58,-2.4,;-5.58,-3.94,;-4.25,-4.71,;-2.92,-3.94,;-1.45,-4.42,;-.55,-3.17,;-1.45,-1.93,;-2.92,-2.4,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CCC2CCCC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.82,.68,;-4.48,-.09,;-3.39,1,;-3.39,2.54,;-1.85,2.54,;-.77,3.62,;.72,3.23,;1.12,4.71,;.32,1.74,;1.49,1.89,;3.03,1.89,;3.8,.56,;3.33,-.91,;4.57,-1.81,;5.82,-.91,;5.34,.56,;-1.85,1,;-4.48,-1.63,;-5.82,-2.4,;-5.82,-3.94,;-4.48,-4.71,;-3.15,-3.94,;-1.69,-4.42,;-.78,-3.17,;-1.69,-1.93,;-3.15,-2.4,)|
CCC(C)CS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(5.58,.56,;4.04,.56,;3.27,1.89,;4.04,3.23,;1.73,1.89,;.96,3.23,;1.36,4.71,;.56,1.74,;-.53,3.62,;-1.62,2.54,;-3.16,2.54,;-3.16,1,;-1.62,1,;-4.25,-.09,;-5.58,.68,;-4.25,-1.63,;-5.58,-2.4,;-5.58,-3.94,;-4.25,-4.71,;-2.91,-3.94,;-1.45,-4.42,;-.54,-3.17,;-1.45,-1.93,;-2.91,-2.4,)|
CN([C@@H]1C[C@H](CS(=O)(=O)Cc2ccccc2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.28,1.77,;-4.94,1,;-3.61,1.77,;-3.21,3.25,;-1.72,2.85,;-.39,3.62,;.94,2.85,;.17,1.52,;1.71,1.52,;2.28,3.62,;3.61,2.85,;3.61,1.31,;4.94,.54,;6.28,1.31,;6.28,2.85,;4.94,3.62,;-2.12,1.37,;-4.94,-.54,;-6.28,-1.31,;-6.28,-2.85,;-4.94,-3.62,;-3.61,-2.85,;-2.15,-3.33,;-1.24,-2.08,;-2.15,-.84,;-3.61,-1.31,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CCCC(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.04,1.49,;-3.71,.72,;-2.38,1.49,;-1.98,2.98,;-.49,2.58,;.84,3.35,;2.18,2.58,;2.57,4.06,;3.66,2.98,;1.78,1.09,;2.87,,;2.47,-1.49,;3.56,-2.58,;3.16,-4.06,;5.04,-2.18,;2.22,-3.35,;-.89,1.09,;-3.71,-.82,;-5.04,-1.59,;-5.04,-3.13,;-3.71,-3.9,;-2.38,-3.13,;-.91,-3.61,;-.01,-2.36,;-.91,-1.12,;-2.38,-1.59,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CCC(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.3,1.57,;-2.97,.8,;-1.63,1.57,;-1.23,3.05,;.25,2.66,;1.59,3.43,;2.68,2.34,;4.16,2.73,;3.07,3.82,;2.28,.85,;3.37,-.24,;2.97,-1.73,;4.06,-2.82,;1.48,-2.13,;4.3,-.96,;-.15,1.17,;-2.97,-.74,;-4.3,-1.51,;-4.3,-3.05,;-2.97,-3.82,;-1.63,-3.05,;-.17,-3.53,;.74,-2.28,;-.17,-1.04,;-1.63,-1.51,)|
CC[C@@H](C)CS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,2.2,(3.9,-2.66,;2.81,-1.57,;3.21,-.08,;4.7,.32,;2.12,1.01,;2.52,2.5,;4.01,2.89,;2.92,3.98,;1.19,3.27,;-.15,2.5,;-1.63,2.89,;-2.03,1.41,;-.54,1.01,;-3.37,.64,;-4.7,1.41,;-3.37,-.9,;-4.7,-1.67,;-4.7,-3.21,;-3.37,-3.98,;-2.03,-3.21,;-.57,-3.69,;.34,-2.44,;-.57,-1.2,;-2.03,-1.67,)|
COc1cc(ccn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(4.94,-3.69,;4.94,-2.15,;3.61,-1.38,;3.61,.16,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;2.28,2.47,;2.28,4.01,;3.61,3.24,;.94,3.24,;-.39,2.47,;-1.88,2.87,;-2.28,1.38,;-.79,.98,;-3.61,.61,;-4.94,1.38,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C[C@H]2CC[C@@H](CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wU:10.9,wD:2.1,4.4,13.16,(-6.33,1.83,;-5,1.06,;-3.67,1.83,;-3.27,3.32,;-1.78,2.92,;-.45,3.69,;.89,2.92,;1.29,4.41,;2.38,3.32,;.49,1.43,;1.58,.35,;3.07,.74,;4.15,-.35,;3.76,-1.83,;2.27,-2.23,;1.18,-1.14,;4.85,-2.92,;6.33,-2.52,;4.45,-4.41,;3.51,-3.69,;-2.18,1.43,;-5,-.48,;-6.33,-1.25,;-6.33,-2.79,;-5,-3.56,;-3.67,-2.79,;-2.2,-3.26,;-1.3,-2.02,;-2.2,-.77,;-3.67,-1.25,)|
COC(C)C1CCN(CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:16.19,14.14,(4.28,-5,;4.28,-3.47,;2.94,-2.69,;1.61,-3.47,;2.94,-1.16,;4.28,-.38,;4.28,1.15,;2.94,1.92,;1.61,1.15,;1.61,-.39,;2.94,3.47,;4.28,4.23,;2.94,5,;1.61,4.23,;.28,3.47,;-1.21,3.86,;-1.61,2.38,;-.12,1.98,;-2.94,1.61,;-4.28,2.38,;-2.94,.07,;-4.28,-.7,;-4.28,-2.24,;-2.94,-3.01,;-1.61,-2.24,;-.15,-2.72,;.76,-1.47,;-.15,-.23,;-1.61,-.7,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc3cccnc23)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.85,.28,;-4.51,-.49,;-3.42,.6,;-3.42,2.14,;-1.88,2.14,;-.79,3.23,;.69,2.83,;1.09,4.31,;.29,1.34,;2.18,3.23,;2.58,4.71,;4.07,5.11,;5.16,4.02,;4.76,2.54,;5.85,1.45,;5.45,-.04,;3.96,-.44,;2.87,.65,;3.27,2.14,;-1.88,.6,;-4.51,-2.03,;-5.85,-2.8,;-5.85,-4.34,;-4.51,-5.11,;-3.18,-4.34,;-1.71,-4.82,;-.81,-3.57,;-1.71,-2.33,;-3.18,-2.8,)|
COC1CC11CCN(CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,w:2.1,wD:16.20,14.15,(6.59,6.29,;5.82,4.96,;4.28,4.96,;2.94,5.73,;2.94,4.19,;3.71,2.85,;2.94,1.52,;1.4,1.52,;.63,2.85,;1.4,4.19,;.63,.19,;-.14,-1.15,;1.97,-.58,;-.7,.96,;-2.03,.19,;-3.52,.59,;-3.92,-.9,;-2.43,-1.3,;-5.25,-1.67,;-6.59,-.9,;-5.25,-3.21,;-6.59,-3.98,;-6.59,-5.52,;-5.25,-6.29,;-3.92,-5.52,;-2.46,-6,;-1.55,-4.75,;-2.46,-3.51,;-3.92,-3.98,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CCCC(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.85,1.61,;-3.51,.84,;-2.18,1.61,;-1.78,3.09,;-.29,2.69,;1.04,3.47,;2.38,2.69,;3.46,3.78,;1.29,1.61,;3.46,1.61,;3.07,.12,;4.15,-.97,;3.76,-2.46,;4.85,-3.55,;2.27,-2.86,;-.69,1.21,;-3.51,-.7,;-4.85,-1.47,;-4.85,-3.01,;-3.51,-3.78,;-2.18,-3.01,;-.71,-3.49,;.19,-2.24,;-.71,-1,;-2.18,-1.47,)|
COc1ccc(c(C)n1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(2.02,-4.26,;.93,-3.17,;1.33,-1.69,;.24,-.6,;.64,.89,;2.12,1.29,;3.21,.2,;4.7,.6,;2.81,-1.29,;2.52,2.78,;2.92,4.26,;4.01,3.17,;1.19,3.55,;-.15,2.78,;-1.63,3.17,;-2.03,1.69,;-.54,1.29,;-3.37,.92,;-4.7,1.69,;-3.37,-.62,;-4.7,-1.39,;-4.7,-2.93,;-3.37,-3.7,;-2.03,-2.93,;-.57,-3.41,;.34,-2.16,;-.57,-.92,;-2.03,-1.39,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cnc(nc2)N2CCCC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-7.49,-.11,;-6.16,-.88,;-5.07,.21,;-5.07,1.75,;-3.53,1.75,;-2.44,2.84,;-.95,2.44,;-.55,3.93,;-1.35,.95,;.54,2.84,;.93,4.33,;2.42,4.72,;3.51,3.64,;3.11,2.15,;1.63,1.75,;5,4.03,;5.47,5.5,;7.01,5.5,;7.49,4.03,;6.24,3.13,;-3.53,.21,;-6.16,-2.42,;-7.49,-3.19,;-7.49,-4.73,;-6.16,-5.5,;-4.82,-4.73,;-3.36,-5.21,;-2.45,-3.96,;-3.36,-2.71,;-4.82,-3.19,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CC2)c2ccn(C)n2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-7.4,.68,;-6.07,-.09,;-4.98,1,;-4.98,2.54,;-3.44,2.54,;-2.35,3.62,;-.86,3.23,;-1.26,4.71,;.23,4.31,;.23,2.14,;-.17,.65,;.92,-.44,;2.4,-.04,;2.8,1.45,;1.71,2.54,;3.49,-1.13,;3.49,-2.67,;4.96,-3.15,;5.86,-1.9,;7.4,-1.9,;4.96,-.65,;-3.44,1,;-6.07,-1.63,;-7.4,-2.4,;-7.4,-3.94,;-6.07,-4.71,;-4.73,-3.94,;-3.27,-4.42,;-2.37,-3.17,;-3.27,-1.93,;-4.73,-2.4,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc3n(C)ncc23)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.66,-.88,;-4.33,-1.65,;-3.24,-.56,;-3.24,.98,;-1.7,.98,;-.61,2.07,;.88,1.67,;1.27,3.16,;.48,.19,;2.36,2.07,;3.45,.98,;4.94,1.38,;5.34,2.87,;4.25,3.96,;4.33,5.5,;5.66,6.27,;2.89,6.05,;1.92,4.85,;2.76,3.56,;-1.7,-.56,;-4.33,-3.19,;-5.66,-3.96,;-5.66,-5.5,;-4.33,-6.27,;-3,-5.5,;-1.53,-5.97,;-.63,-4.73,;-1.53,-3.48,;-3,-3.96,)|
COc1ccc(c(n1)C(F)(F)F)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:18.21,16.16,(3.61,-4.08,;4.38,-2.74,;3.61,-1.41,;2.07,-1.41,;1.3,-.08,;2.07,1.26,;3.61,1.26,;4.38,-.08,;4.38,2.59,;5.92,2.59,;3.61,3.92,;5.15,3.92,;1.3,2.59,;.9,4.08,;2.07,3.92,;-.03,3.36,;-1.37,2.59,;-2.85,2.99,;-3.25,1.5,;-1.77,1.1,;-4.59,.73,;-5.92,1.5,;-4.59,-.81,;-5.92,-1.58,;-5.92,-3.12,;-4.59,-3.89,;-3.25,-3.12,;-1.79,-3.59,;-.88,-2.35,;-1.79,-1.1,;-3.25,-1.58,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccccc2OC(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,.28,;-4.17,-.49,;-3.08,.6,;-3.08,2.14,;-1.54,2.14,;-.45,3.23,;1.04,2.83,;1.44,4.31,;.64,1.34,;2.53,3.23,;2.92,4.71,;4.41,5.11,;5.5,4.02,;5.1,2.54,;3.61,2.14,;3.22,.65,;4.31,-.44,;5.39,-1.53,;5.39,.65,;3.22,-1.53,;-1.54,.6,;-4.17,-2.03,;-5.5,-2.8,;-5.5,-4.34,;-4.17,-5.11,;-2.83,-4.34,;-1.37,-4.82,;-.46,-3.57,;-1.37,-2.33,;-2.83,-2.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cc(C)ccc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.85,-.07,;-4.51,-.84,;-3.42,.25,;-3.42,1.79,;-1.88,1.79,;-.79,2.88,;.69,2.48,;1.09,3.97,;.29,.99,;2.18,2.88,;3.27,1.79,;4.76,2.19,;5.85,1.1,;5.16,3.68,;4.07,4.77,;2.58,4.37,;1.49,5.46,;-1.88,.25,;-4.51,-2.38,;-5.85,-3.15,;-5.85,-4.69,;-4.51,-5.46,;-3.18,-4.69,;-1.71,-5.16,;-.81,-3.92,;-1.71,-2.67,;-3.18,-3.15,)|
COc1ccc(c(F)c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(6.79,2.99,;5.7,4.08,;4.21,3.68,;3.81,2.19,;2.33,1.79,;1.24,2.88,;1.64,4.37,;.55,5.46,;3.12,4.77,;-.25,2.48,;.15,3.97,;-.65,.99,;-1.74,2.88,;-2.83,1.79,;-4.37,1.79,;-4.37,.25,;-2.83,.25,;-5.46,-.84,;-6.79,-.07,;-5.46,-2.38,;-6.79,-3.15,;-6.79,-4.69,;-5.46,-5.46,;-4.12,-4.69,;-2.66,-5.16,;-1.75,-3.92,;-2.66,-2.67,;-4.12,-3.15,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(C)nc2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.24,.28,;-4.91,-.49,;-3.82,.6,;-3.82,2.14,;-2.28,2.14,;-1.19,3.23,;.29,2.83,;.69,4.31,;-.1,1.34,;1.78,3.23,;2.18,4.71,;3.67,5.11,;4.76,4.02,;6.24,4.42,;4.36,2.54,;2.87,2.14,;-2.28,.6,;-4.91,-2.03,;-6.24,-2.8,;-6.24,-4.34,;-4.91,-5.11,;-3.58,-4.34,;-2.11,-4.82,;-1.21,-3.57,;-2.11,-2.33,;-3.58,-2.8,)|
COc1cc(C)c(cn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(2.36,-4.26,;1.27,-3.17,;1.67,-1.69,;.58,-.6,;.98,.89,;.58,2.38,;2.47,1.29,;3.56,.2,;3.16,-1.29,;2.87,2.78,;3.27,4.26,;4.35,3.17,;1.53,3.55,;.2,2.78,;-1.29,3.17,;-1.69,1.69,;-.2,1.29,;-3.02,.92,;-4.35,1.69,;-3.02,-.62,;-4.35,-1.39,;-4.35,-2.93,;-3.02,-3.7,;-1.69,-2.93,;-.22,-3.41,;.68,-2.16,;-.22,-.92,;-1.69,-1.39,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2c(C)noc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.2,-.07,;-3.86,-.84,;-2.78,.25,;-2.78,1.79,;-1.24,1.79,;-.15,2.88,;1.34,2.48,;1.74,3.97,;.94,.99,;2.83,2.88,;3.73,4.12,;2.96,5.46,;5.2,3.65,;5.2,2.11,;3.73,1.63,;2.96,.3,;-1.24,.25,;-3.86,-2.38,;-5.2,-3.15,;-5.2,-4.69,;-3.86,-5.46,;-2.53,-4.69,;-1.07,-5.16,;-.16,-3.92,;-1.07,-2.67,;-2.53,-3.15,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cc(ccc2Cl)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.39,-.07,;-5.06,-.84,;-3.97,.25,;-3.97,1.79,;-2.43,1.79,;-1.34,2.88,;.15,2.48,;.55,3.97,;-.25,.99,;1.64,2.88,;2.73,1.79,;4.21,2.19,;4.61,3.68,;3.52,4.77,;2.03,4.37,;.95,5.46,;5.3,1.1,;6.39,.01,;4.21,.01,;6.39,2.19,;-2.43,.25,;-5.06,-2.38,;-6.39,-3.15,;-6.39,-4.69,;-5.06,-5.46,;-3.72,-4.69,;-2.26,-5.16,;-1.35,-3.92,;-2.26,-2.67,;-3.72,-3.15,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CCCCO)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.53,1.22,;-5.19,.45,;-4.1,1.54,;-4.1,3.08,;-2.56,3.08,;-1.48,4.17,;-.14,3.4,;-.91,2.07,;.63,2.07,;1.19,4.17,;2.53,3.4,;3.86,4.17,;5.19,3.4,;6.53,4.17,;-2.56,1.54,;-5.19,-1.09,;-6.53,-1.86,;-6.53,-3.4,;-5.19,-4.17,;-3.86,-3.4,;-2.39,-3.87,;-1.49,-2.63,;-2.39,-1.38,;-3.86,-1.86,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CCCCF)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.39,.19,;-5.06,-.58,;-3.97,.5,;-3.97,2.04,;-2.43,2.04,;-1.34,3.13,;.15,2.73,;-.25,1.25,;1.48,1.96,;1.24,3.82,;2.73,3.43,;3.81,4.51,;5.3,4.12,;6.39,5.2,;-2.43,.5,;-5.06,-2.12,;-6.39,-2.89,;-6.39,-4.43,;-5.06,-5.2,;-3.72,-4.43,;-2.26,-4.91,;-1.35,-3.66,;-2.26,-2.42,;-3.72,-2.89,)|
CCOc1cccc(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(7.13,.76,;6.05,1.85,;4.56,1.45,;3.47,2.54,;3.87,4.02,;2.78,5.11,;1.29,4.71,;.89,3.23,;1.98,2.14,;-.6,2.83,;-.2,4.31,;-.99,1.34,;-2.08,3.23,;-3.17,2.14,;-4.71,2.14,;-4.71,.6,;-3.17,.6,;-5.8,-.49,;-7.13,.28,;-5.8,-2.03,;-7.13,-2.8,;-7.13,-4.34,;-5.8,-5.11,;-4.47,-4.34,;-3,-4.82,;-2.1,-3.57,;-3,-2.33,;-4.47,-2.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccnc(C)c2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.38,;-3.61,.61,;-2.28,1.38,;-1.88,2.87,;-.39,2.47,;.94,3.24,;2.28,2.47,;2.28,4.01,;3.61,3.24,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;3.61,-1.38,;4.94,-2.15,;3.61,.16,;4.94,.93,;-.79,.98,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)|
CCOc1ccc(cc1Cl)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:16.19,14.14,(5.35,6.06,;6.44,4.97,;6.05,3.48,;4.56,3.08,;4.16,1.59,;2.67,1.19,;1.58,2.28,;1.98,3.77,;3.47,4.17,;3.87,5.66,;.1,1.88,;.49,3.37,;-.3,.4,;-1.39,2.28,;-2.48,1.19,;-4.02,1.19,;-4.02,-.35,;-2.48,-.35,;-5.11,-1.44,;-6.44,-.67,;-5.11,-2.98,;-6.44,-3.75,;-6.44,-5.29,;-5.11,-6.06,;-3.78,-5.29,;-2.31,-5.76,;-1.41,-4.52,;-2.31,-3.27,;-3.78,-3.75,)|
COc1ccc(F)cc1S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(4.31,-1.18,;3.22,-.09,;3.61,1.39,;5.1,1.79,;5.5,3.28,;4.41,4.37,;4.81,5.86,;2.92,3.97,;2.53,2.48,;1.04,2.08,;1.44,3.57,;.64,.6,;-.45,2.48,;-1.54,1.39,;-3.08,1.39,;-3.08,-.15,;-1.54,-.15,;-4.17,-1.24,;-5.5,-.47,;-4.17,-2.78,;-5.5,-3.55,;-5.5,-5.09,;-4.17,-5.86,;-2.83,-5.09,;-1.37,-5.56,;-.46,-4.32,;-1.37,-3.07,;-2.83,-3.55,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cccnc2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,.28,;-4.17,-.49,;-3.08,.6,;-3.08,2.14,;-1.54,2.14,;-.45,3.23,;1.04,2.83,;1.44,4.31,;.64,1.34,;2.53,3.23,;3.61,2.14,;5.1,2.54,;5.5,4.02,;4.41,5.11,;2.92,4.71,;-1.54,.6,;-4.17,-2.03,;-5.5,-2.8,;-5.5,-4.34,;-4.17,-5.11,;-2.83,-4.34,;-1.37,-4.82,;-.46,-3.57,;-1.37,-2.33,;-2.83,-2.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc3nn(C)cc3c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.94,-.33,;-5.61,-1.1,;-4.52,-.01,;-4.52,1.53,;-2.98,1.53,;-1.89,2.62,;-.4,2.22,;-.01,3.7,;-.8,.73,;1.08,2.62,;1.99,1.37,;3.52,1.53,;4.15,2.94,;5.61,3.41,;5.61,4.95,;6.94,5.72,;4.15,5.43,;3.24,4.18,;1.71,4.02,;-2.98,-.01,;-5.61,-2.64,;-6.94,-3.41,;-6.94,-4.95,;-5.61,-5.72,;-4.28,-4.95,;-2.81,-5.43,;-1.91,-4.18,;-2.81,-2.94,;-4.28,-3.41,)|
CC(O)CCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(5.86,2.63,;4.53,3.4,;4.53,4.94,;3.19,2.63,;1.86,3.4,;.53,2.63,;-.24,1.3,;1.3,1.3,;-.81,3.4,;-1.9,2.31,;-3.44,2.31,;-3.44,.77,;-1.9,.77,;-4.53,-.32,;-5.86,.45,;-4.53,-1.86,;-5.86,-2.63,;-5.86,-4.17,;-4.53,-4.94,;-3.19,-4.17,;-1.73,-4.64,;-.82,-3.4,;-1.73,-2.15,;-3.19,-2.63,)|
CCOc1ccc(cc1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(7.53,3.73,;6.05,3.33,;4.96,4.42,;3.47,4.02,;3.07,2.54,;1.58,2.14,;.49,3.23,;.89,4.71,;2.38,5.11,;-.99,2.83,;-.6,4.31,;-1.39,1.34,;-2.48,3.23,;-3.57,2.14,;-5.11,2.14,;-5.11,.6,;-3.57,.6,;-6.2,-.49,;-7.53,.28,;-6.2,-2.03,;-7.53,-2.8,;-7.53,-4.34,;-6.2,-5.11,;-4.87,-4.34,;-3.4,-4.82,;-2.5,-3.57,;-3.4,-2.33,;-4.87,-2.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc3n(C)ncc3c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.94,-.19,;-5.61,-.96,;-4.52,.13,;-4.52,1.67,;-2.98,1.67,;-1.89,2.76,;-.4,2.36,;-.01,3.85,;-.8,.88,;1.08,2.76,;1.99,1.52,;3.52,1.68,;4.15,3.08,;5.61,3.56,;6.94,2.79,;5.61,5.1,;4.15,5.58,;3.24,4.33,;1.71,4.17,;-2.98,.13,;-5.61,-2.5,;-6.94,-3.27,;-6.94,-4.81,;-5.61,-5.58,;-4.28,-4.81,;-2.81,-5.28,;-1.91,-4.04,;-2.81,-2.79,;-4.28,-3.27,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cnccc2C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.61,1.38,;-4.28,.61,;-2.94,1.38,;-2.55,2.87,;-1.06,2.47,;.28,3.24,;1.61,2.47,;2.94,3.24,;1.61,4.01,;1.61,.93,;.28,.16,;.28,-1.38,;1.61,-2.15,;2.94,-1.38,;2.94,.16,;4.28,.93,;5.61,.16,;4.28,2.47,;4.68,-.56,;-1.46,.98,;-4.28,-.93,;-5.61,-1.7,;-5.61,-3.24,;-4.28,-4.01,;-2.94,-3.24,;-1.48,-3.72,;-.57,-2.47,;-1.48,-1.22,;-2.94,-1.7,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C[C@H]2CC[C@H](CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wU:10.9,13.16,wD:2.1,4.4,(-6.21,2.15,;-4.88,1.38,;-3.54,2.15,;-3.14,3.64,;-1.66,3.24,;-.32,4.01,;.77,2.92,;2.25,3.32,;1.16,4.41,;.37,1.43,;1.46,.35,;2.94,.74,;4.03,-.35,;3.63,-1.83,;2.15,-2.23,;1.06,-1.14,;4.72,-2.92,;6.21,-2.52,;4.32,-4.41,;3.39,-3.69,;-2.06,1.75,;-4.88,-.16,;-6.21,-.93,;-6.21,-2.47,;-4.88,-3.24,;-3.54,-2.47,;-2.08,-2.94,;-1.17,-1.7,;-2.08,-.45,;-3.54,-.93,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(cc2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.99,-.12,;-5.65,-.89,;-4.57,.2,;-4.57,1.74,;-3.03,1.74,;-1.94,2.83,;-.45,2.43,;-.05,3.92,;-.85,.94,;1.04,2.83,;2.13,1.74,;3.61,2.14,;4.01,3.62,;2.92,4.71,;1.44,4.31,;5.5,4.02,;6.99,4.42,;5.9,2.54,;5.1,5.51,;-3.03,.2,;-5.65,-2.43,;-6.99,-3.2,;-6.99,-4.74,;-5.65,-5.51,;-4.32,-4.74,;-2.86,-5.22,;-1.95,-3.97,;-2.86,-2.72,;-4.32,-3.2,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC3(CC3(F)F)CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.61,-.07,;-5.28,-.84,;-3.94,-.07,;-3.54,1.42,;-2.06,1.02,;-.72,1.79,;.37,.7,;1.46,-.39,;-.72,-.39,;1.46,1.79,;2.94,1.39,;4.03,2.48,;3.63,3.97,;4.03,5.46,;5.12,4.37,;6.61,4.77,;5.89,3.03,;2.15,4.37,;1.06,3.28,;-2.45,-.47,;-5.28,-2.38,;-6.61,-3.15,;-6.61,-4.69,;-5.28,-5.46,;-3.94,-4.69,;-2.48,-5.16,;-1.57,-3.92,;-2.48,-2.67,;-3.94,-3.15,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC[C@H](C2)OC(F)F)C1)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.4,(-4.56,.73,;-3.22,-.04,;-2.14,1.05,;-2.14,2.59,;-.6,2.59,;.49,3.68,;1.98,3.28,;3.07,4.37,;1.58,4.77,;2.38,1.79,;3.84,1.31,;3.84,-.23,;2.38,-.7,;1.47,.54,;1.98,-2.19,;3.07,-3.28,;4.56,-2.88,;2.67,-4.77,;-.6,1.05,;-3.22,-1.58,;-4.56,-2.35,;-4.56,-3.89,;-3.22,-4.66,;-1.89,-3.89,;-.43,-4.37,;.48,-3.12,;-.43,-1.88,;-1.89,-2.35,)|
COc1cc(c(C)cn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(4.94,-3.69,;4.94,-2.15,;3.61,-1.38,;3.61,.16,;2.28,.93,;.94,.16,;-.39,.93,;.94,-1.38,;2.28,-2.15,;2.28,2.47,;3.61,3.24,;2.28,4.01,;.94,3.24,;-.39,2.47,;-1.88,2.87,;-2.28,1.38,;-.79,.98,;-3.61,.61,;-4.94,1.38,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(nc2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.28,1.61,;-2.94,.84,;-1.61,1.61,;-1.21,3.09,;.28,2.69,;1.61,3.47,;2.94,2.69,;4.28,3.47,;2.94,4.23,;2.94,1.15,;1.61,.38,;1.61,-1.15,;2.94,-1.93,;4.28,-1.15,;4.28,.38,;2.94,-3.46,;4.28,-4.23,;1.61,-4.23,;1.46,-3.07,;-.12,1.21,;-2.94,-.7,;-4.28,-1.47,;-4.28,-3.01,;-2.94,-3.78,;-1.61,-3.01,;-.15,-3.49,;.76,-2.24,;-.15,-1,;-1.61,-1.47,)|
COc1cc(Cl)ccc1S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(1.49,6.2,;1.09,4.71,;2.18,3.62,;3.67,4.02,;4.76,2.93,;6.24,3.33,;4.36,1.45,;2.87,1.05,;1.78,2.14,;.29,1.74,;.69,3.23,;-.1,.25,;-1.19,2.14,;-2.28,1.05,;-3.82,1.05,;-3.82,-.49,;-2.28,-.49,;-4.91,-1.58,;-6.24,-.81,;-4.91,-3.12,;-6.24,-3.89,;-6.24,-5.43,;-4.91,-6.2,;-3.58,-5.43,;-2.11,-5.91,;-1.21,-4.66,;-2.11,-3.42,;-3.58,-3.89,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc3cnn(C)c23)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.72,.28,;-4.39,-.49,;-3.3,.6,;-3.3,2.14,;-1.76,2.14,;-.67,3.23,;.82,2.83,;1.22,4.31,;.42,1.34,;2.31,3.23,;2.7,4.71,;4.19,5.11,;5.28,4.02,;4.88,2.54,;5.72,1.24,;4.75,.05,;3.31,.6,;1.98,-.17,;3.39,2.14,;-1.76,.6,;-4.39,-2.03,;-5.72,-2.8,;-5.72,-4.34,;-4.39,-5.11,;-3.05,-4.34,;-1.59,-4.82,;-.68,-3.57,;-1.59,-2.33,;-3.05,-2.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(C)nc2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.28,1.38,;-2.94,.61,;-1.61,1.38,;-1.21,2.87,;.28,2.47,;1.61,3.24,;2.94,2.47,;4.28,3.24,;2.94,4.01,;2.94,.93,;4.28,.16,;4.28,-1.38,;2.94,-2.15,;2.94,-3.69,;1.61,-1.38,;1.61,.16,;-.12,.98,;-2.94,-.93,;-4.28,-1.7,;-4.28,-3.24,;-2.94,-4.01,;-1.61,-3.24,;-.15,-3.72,;.76,-2.47,;-.15,-1.22,;-1.61,-1.7,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc(F)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,-.47,;-4.17,-1.24,;-3.08,-.15,;-3.08,1.39,;-1.54,1.39,;-.45,2.48,;1.04,2.08,;1.44,3.57,;.64,.6,;2.53,2.48,;3.61,1.39,;5.1,1.79,;5.5,3.28,;4.41,4.37,;4.81,5.86,;2.92,3.97,;-1.54,-.15,;-4.17,-2.78,;-5.5,-3.55,;-5.5,-5.09,;-4.17,-5.86,;-2.83,-5.09,;-1.37,-5.56,;-.46,-4.32,;-1.37,-3.07,;-2.83,-3.55,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CC2)C(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.94,-.16,;-5.61,-.93,;-4.28,-.16,;-3.88,1.33,;-2.39,.93,;-1.06,1.7,;.28,.93,;-.49,-.4,;1.05,-.4,;1.61,1.7,;2.94,.93,;4.28,1.7,;4.28,3.24,;2.94,4.01,;1.61,3.24,;5.61,4.01,;6.94,3.24,;5.61,5.55,;-2.79,-.56,;-5.61,-2.47,;-6.94,-3.24,;-6.94,-4.78,;-5.61,-5.55,;-4.28,-4.78,;-2.81,-5.26,;-1.91,-4.01,;-2.81,-2.76,;-4.28,-3.24,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccccc2F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,-.07,;-4.17,-.84,;-3.08,.25,;-3.08,1.79,;-1.54,1.79,;-.45,2.88,;1.04,2.48,;1.44,3.97,;.64,.99,;2.53,2.88,;3.61,1.79,;5.1,2.19,;5.5,3.68,;4.41,4.77,;2.92,4.37,;1.84,5.46,;-1.54,.25,;-4.17,-2.38,;-5.5,-3.15,;-5.5,-4.69,;-4.17,-5.46,;-2.83,-4.69,;-1.37,-5.16,;-.46,-3.92,;-1.37,-2.67,;-2.83,-3.15,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cncc(F)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.85,.28,;-4.51,-.49,;-3.42,.6,;-3.42,2.14,;-1.88,2.14,;-.79,3.23,;.69,2.83,;1.09,4.31,;.29,1.34,;2.18,3.23,;2.58,4.71,;4.07,5.11,;5.16,4.02,;4.76,2.54,;5.85,1.45,;3.27,2.14,;-1.88,.6,;-4.51,-2.03,;-5.85,-2.8,;-5.85,-4.34,;-4.51,-5.11,;-3.18,-4.34,;-1.71,-4.82,;-.81,-3.57,;-1.71,-2.33,;-3.18,-2.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccccc2Cl)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,-.07,;-4.17,-.84,;-3.08,.25,;-3.08,1.79,;-1.54,1.79,;-.45,2.88,;1.04,2.48,;1.44,3.97,;.64,.99,;2.53,2.88,;3.61,1.79,;5.1,2.19,;5.5,3.68,;4.41,4.77,;2.92,4.37,;1.84,5.46,;-1.54,.25,;-4.17,-2.38,;-5.5,-3.15,;-5.5,-4.69,;-4.17,-5.46,;-2.83,-4.69,;-1.37,-5.16,;-.46,-3.92,;-1.37,-2.67,;-2.83,-3.15,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCS(=O)(=O)CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,.23,;-4.59,-.54,;-3.25,.23,;-2.85,1.71,;-1.37,1.31,;-.03,2.08,;-.03,3.62,;-.03,5.16,;-1.57,3.62,;1.51,3.62,;2.28,4.96,;3.82,4.96,;4.59,3.62,;5.92,4.39,;5.92,2.85,;3.82,2.29,;2.28,2.29,;-1.77,-.17,;-4.59,-2.08,;-5.92,-2.85,;-5.92,-4.39,;-4.59,-5.16,;-3.25,-4.39,;-1.79,-4.87,;-.88,-3.62,;-1.79,-2.38,;-3.25,-2.85,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccccc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,-.07,;-4.17,-.84,;-3.08,.25,;-3.08,1.79,;-1.54,1.79,;-.45,2.88,;1.04,2.48,;1.44,3.97,;.64,.99,;2.53,2.88,;3.61,1.79,;5.1,2.19,;5.5,3.68,;4.41,4.77,;2.92,4.37,;1.84,5.46,;-1.54,.25,;-4.17,-2.38,;-5.5,-3.15,;-5.5,-4.69,;-4.17,-5.46,;-2.83,-4.69,;-1.37,-5.16,;-.46,-3.92,;-1.37,-2.67,;-2.83,-3.15,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCN(C)C(=O)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.85,.68,;-4.51,-.09,;-3.42,1,;-3.42,2.54,;-1.88,2.54,;-.79,3.62,;.69,3.23,;1.78,4.31,;.29,4.71,;1.78,2.14,;1.38,.65,;2.47,-.44,;3.96,-.04,;5.05,-1.13,;4.36,1.45,;5.85,1.85,;3.27,2.54,;-1.88,1,;-4.51,-1.63,;-5.85,-2.4,;-5.85,-3.94,;-4.51,-4.71,;-3.18,-3.94,;-1.71,-4.42,;-.81,-3.17,;-1.71,-1.93,;-3.18,-2.4,)|
CCOc1ccc(cn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(7.53,3.73,;6.05,3.33,;4.96,4.42,;3.47,4.02,;3.07,2.54,;1.58,2.14,;.49,3.23,;.89,4.71,;2.38,5.11,;-.99,2.83,;-.6,4.31,;-1.39,1.34,;-2.48,3.23,;-3.57,2.14,;-5.11,2.14,;-5.11,.6,;-3.57,.6,;-6.2,-.49,;-7.53,.28,;-6.2,-2.03,;-7.53,-2.8,;-7.53,-4.34,;-6.2,-5.11,;-4.87,-4.34,;-3.4,-4.82,;-2.5,-3.57,;-3.4,-2.33,;-4.87,-2.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CC2)c2cnco2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.46,.68,;-5.12,-.09,;-4.03,1,;-4.03,2.54,;-2.49,2.54,;-1.4,3.62,;.08,3.23,;1.17,4.31,;-.31,4.71,;1.17,2.14,;.77,.65,;1.86,-.44,;3.35,-.04,;3.75,1.45,;2.66,2.54,;4.44,-1.13,;5.98,-1.13,;6.46,-2.59,;5.21,-3.5,;3.96,-2.59,;-2.49,1,;-5.12,-1.63,;-6.46,-2.4,;-6.46,-3.94,;-5.12,-4.71,;-3.79,-3.94,;-2.32,-4.42,;-1.42,-3.17,;-2.32,-1.93,;-3.79,-2.4,)|
COc1cc(c(cn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12)C(F)(F)F |r,wD:14.17,12.12,(4.38,-4,;5.15,-2.67,;4.38,-1.33,;2.84,-1.33,;2.07,,;2.84,1.33,;4.38,1.33,;5.15,,;2.07,2.67,;1.3,4,;2.84,4,;.74,3.44,;-.6,2.67,;-2.08,3.07,;-2.48,1.58,;-1,1.18,;-3.82,.81,;-5.15,1.58,;-3.82,-.73,;-5.15,-1.5,;-5.15,-3.04,;-3.82,-3.81,;-2.48,-3.04,;-1.02,-3.52,;-.11,-2.27,;-1.02,-1.03,;-2.48,-1.5,;.53,,;-1.01,,;.53,1.54,;.53,-1.54,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(COC(F)F)CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,2.76,;-3.61,1.99,;-2.28,2.76,;-1.88,4.25,;-.39,3.85,;.94,4.62,;2.28,3.85,;3.61,4.62,;2.28,5.39,;2.28,2.31,;.94,1.54,;.94,,;2.28,-.77,;2.28,-2.31,;3.61,-3.08,;3.61,-4.62,;2.28,-5.39,;4.94,-5.39,;3.61,,;3.61,1.54,;-.79,2.36,;-3.61,.45,;-4.94,-.32,;-4.94,-1.86,;-3.61,-2.63,;-2.28,-1.86,;-.81,-2.33,;.09,-1.09,;-.81,.16,;-2.28,-.32,)|
COc1ncc(cn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(1.61,-4.24,;2.94,-3.47,;2.94,-1.93,;1.61,-1.15,;1.61,.39,;2.94,1.15,;4.28,.38,;4.28,-1.16,;2.94,2.7,;4.28,3.47,;2.94,4.24,;1.61,3.47,;.28,2.7,;-1.21,3.09,;-1.61,1.61,;-.12,1.21,;-2.94,.84,;-4.28,1.61,;-2.94,-.7,;-4.28,-1.47,;-4.28,-3.01,;-2.94,-3.78,;-1.61,-3.01,;-.15,-3.49,;.76,-2.24,;-.15,-1,;-1.61,-1.47,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc3cnccc23)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,-1.01,;-4.17,-1.78,;-3.08,-.69,;-3.08,.85,;-1.54,.85,;-.45,1.94,;1.04,1.54,;1.44,3.03,;.64,.05,;2.53,1.94,;3.61,.85,;5.1,1.25,;5.5,2.73,;4.41,3.82,;4.81,5.31,;3.72,6.4,;2.23,6,;1.84,4.51,;2.92,3.43,;-1.54,-.69,;-4.17,-3.32,;-5.5,-4.09,;-5.5,-5.63,;-4.17,-6.4,;-2.83,-5.63,;-1.37,-6.11,;-.46,-4.86,;-1.37,-3.61,;-2.83,-4.09,)|
COc1cc(cnc1OC)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:16.19,14.14,(5.35,6.06,;3.87,5.66,;3.47,4.17,;1.98,3.77,;1.58,2.28,;2.67,1.19,;4.16,1.59,;4.56,3.08,;6.05,3.48,;6.44,4.97,;.1,1.88,;.49,3.37,;-.3,.4,;-1.39,2.28,;-2.48,1.19,;-4.02,1.19,;-4.02,-.35,;-2.48,-.35,;-5.11,-1.44,;-6.44,-.67,;-5.11,-2.98,;-6.44,-3.75,;-6.44,-5.29,;-5.11,-6.06,;-3.78,-5.29,;-2.31,-5.76,;-1.41,-4.52,;-2.31,-3.27,;-3.78,-3.75,)|
COc1ncc(c(C)n1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(.94,-4.24,;2.28,-3.47,;2.28,-1.93,;.94,-1.15,;.94,.39,;2.28,1.15,;3.61,.38,;4.94,1.16,;3.61,-1.16,;2.28,2.7,;3.61,3.47,;2.28,4.24,;.94,3.47,;-.39,2.7,;-1.88,3.09,;-2.28,1.61,;-.79,1.21,;-3.61,.84,;-4.94,1.61,;-3.61,-.7,;-4.94,-1.47,;-4.94,-3.01,;-3.61,-3.78,;-2.28,-3.01,;-.81,-3.49,;.09,-2.24,;-.81,-1,;-2.28,-1.47,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(C)(=O)=O)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,12.14,(-5.05,1.38,;-3.71,.61,;-2.38,1.38,;-1.98,2.87,;-.49,2.47,;.84,3.24,;2.17,2.47,;2.17,4.01,;3.51,3.24,;2.94,1.14,;4.48,1.14,;4.96,-.33,;3.71,-1.23,;2.47,-.33,;3.71,-2.77,;2.38,-3.54,;5.05,-3.54,;5.05,-2,;-.89,.98,;-3.71,-.93,;-5.05,-1.7,;-5.05,-3.24,;-3.71,-4.01,;-2.38,-3.24,;-.92,-3.72,;-.01,-2.47,;-.92,-1.22,;-2.38,-1.7,)|
CCOc1cc(ccn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(7.13,.76,;6.05,1.85,;4.56,1.45,;3.47,2.54,;1.98,2.14,;.89,3.23,;1.29,4.71,;2.78,5.11,;3.87,4.02,;-.6,2.83,;-.2,4.31,;-.99,1.34,;-2.08,3.23,;-3.17,2.14,;-4.71,2.14,;-4.71,.6,;-3.17,.6,;-5.8,-.49,;-7.13,.28,;-5.8,-2.03,;-7.13,-2.8,;-7.13,-4.34,;-5.8,-5.11,;-4.47,-4.34,;-3,-4.82,;-2.1,-3.57,;-3,-2.33,;-4.47,-2.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc(OC(F)(F)F)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.31,.28,;-4.98,-.49,;-3.89,.6,;-3.89,2.14,;-2.35,2.14,;-1.26,3.23,;.23,2.83,;.62,4.31,;-.17,1.34,;1.71,3.23,;2.11,4.71,;3.6,5.11,;4.69,4.02,;4.29,2.54,;5.38,1.45,;4.98,-.04,;3.49,-.44,;6.07,-1.13,;6.31,.73,;2.8,2.14,;-2.35,.6,;-4.98,-2.03,;-6.31,-2.8,;-6.31,-4.34,;-4.98,-5.11,;-3.65,-4.34,;-2.18,-4.82,;-1.28,-3.57,;-2.18,-2.33,;-3.65,-2.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc3cnn(C)c3c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.53,.33,;-5.19,-.44,;-4.1,.65,;-4.1,2.19,;-2.56,2.19,;-1.48,3.28,;.01,2.88,;.41,4.37,;-.39,1.39,;1.5,3.28,;1.97,4.74,;3.48,5.06,;4.51,3.92,;6.05,3.92,;6.53,2.45,;5.28,1.55,;5.28,.01,;4.04,2.45,;2.53,2.13,;-2.56,.65,;-5.19,-1.98,;-6.53,-2.75,;-6.53,-4.29,;-5.19,-5.06,;-3.86,-4.29,;-2.4,-4.77,;-1.49,-3.52,;-2.4,-2.28,;-3.86,-2.75,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CC2)c2ncco2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.46,.68,;-5.12,-.09,;-4.03,1,;-4.03,2.54,;-2.49,2.54,;-1.4,3.62,;.08,3.23,;1.17,4.31,;-.31,4.71,;1.17,2.14,;.77,.65,;1.86,-.44,;3.35,-.04,;3.75,1.45,;2.66,2.54,;4.44,-1.13,;5.98,-1.13,;6.46,-2.59,;5.21,-3.5,;3.96,-2.59,;-2.49,1,;-5.12,-1.63,;-6.46,-2.4,;-6.46,-3.94,;-5.12,-4.71,;-3.79,-3.94,;-2.32,-4.42,;-1.42,-3.17,;-2.32,-1.93,;-3.79,-2.4,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cnc3ccccc3c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.79,.28,;-5.46,-.49,;-4.37,.6,;-4.37,2.14,;-2.83,2.14,;-1.74,3.23,;-.25,2.83,;.15,4.31,;-.65,1.34,;1.24,3.23,;1.64,4.71,;3.12,5.11,;4.21,4.02,;5.7,4.42,;6.79,3.33,;6.39,1.85,;4.9,1.45,;3.81,2.54,;2.33,2.14,;-2.83,.6,;-5.46,-2.03,;-6.79,-2.8,;-6.79,-4.34,;-5.46,-5.11,;-4.12,-4.34,;-2.66,-4.82,;-1.75,-3.57,;-2.66,-2.33,;-4.12,-2.8,)|
COC(C)c1ccc(cc1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:16.19,14.14,(5.01,6.06,;6.1,4.97,;5.7,3.48,;6.79,2.39,;4.21,3.08,;3.81,1.59,;2.33,1.19,;1.24,2.28,;1.64,3.77,;3.12,4.17,;-.25,1.88,;.15,3.37,;-.65,.4,;-1.74,2.28,;-2.83,1.19,;-4.37,1.19,;-4.37,-.35,;-2.83,-.35,;-5.46,-1.44,;-6.79,-.67,;-5.46,-2.98,;-6.79,-3.75,;-6.79,-5.29,;-5.46,-6.06,;-4.12,-5.29,;-2.66,-5.76,;-1.75,-4.52,;-2.66,-3.27,;-4.12,-3.75,)|
COc1cncc(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(3.85,-4.06,;4.25,-2.58,;3.16,-1.49,;1.67,-1.89,;.58,-.8,;.98,.69,;2.47,1.09,;3.56,,;2.87,2.58,;4.35,2.98,;3.27,4.06,;1.53,3.35,;.2,2.58,;-1.29,2.98,;-1.69,1.49,;-.2,1.09,;-3.02,.72,;-4.35,1.49,;-3.02,-.82,;-4.35,-1.59,;-4.35,-3.13,;-3.02,-3.9,;-1.69,-3.13,;-.22,-3.61,;.68,-2.36,;-.22,-1.12,;-1.69,-1.59,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CC2(C)CCC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.4,.68,;-3.07,-.09,;-1.98,1,;-1.98,2.54,;-.44,2.54,;.65,3.62,;2.14,3.23,;3.22,4.31,;1.74,4.71,;3.47,2.46,;3.07,.97,;4.4,1.74,;1.74,.2,;2.51,-1.14,;3.84,-.37,;-.44,1,;-3.07,-1.63,;-4.4,-2.4,;-4.4,-3.94,;-3.07,-4.71,;-1.74,-3.94,;-.27,-4.42,;.63,-3.17,;-.27,-1.93,;-1.74,-2.4,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc(c2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.9,-1.21,;-4.57,-1.98,;-3.48,-.89,;-3.48,.65,;-1.94,.65,;-.85,1.74,;.64,1.34,;1.04,2.83,;.24,-.15,;2.13,1.74,;3.22,.65,;4.7,1.05,;5.1,2.54,;4.01,3.62,;2.53,3.23,;4.41,5.11,;4.81,6.6,;2.92,5.51,;5.9,4.71,;-1.94,-.89,;-4.57,-3.52,;-5.9,-4.29,;-5.9,-5.83,;-4.57,-6.6,;-3.23,-5.83,;-1.77,-6.31,;-.86,-5.06,;-1.77,-3.81,;-3.23,-4.29,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccccc2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(6.34,-12.52,;7.67,-13.29,;9,-12.51,;9.39,-11.02,;10.88,-11.41,;12.21,-10.64,;13.54,-11.4,;14.3,-12.73,;12.77,-12.72,;14.87,-10.63,;16.2,-11.41,;17.54,-10.64,;17.54,-9.1,;16.2,-8.33,;14.87,-9.1,;10.49,-12.9,;7.68,-14.82,;6.35,-15.59,;6.35,-17.14,;7.68,-17.91,;9.02,-17.13,;10.49,-17.6,;11.39,-16.34,;10.47,-15.1,;9.01,-15.59,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cnc(C)cc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.38,;-3.61,.61,;-2.28,1.38,;-1.88,2.87,;-.39,2.47,;.94,3.24,;2.28,2.47,;3.61,3.24,;2.28,4.01,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;2.28,-3.69,;3.61,-1.38,;3.61,.16,;4.94,.93,;-.79,.98,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)|
COc1ccc(cn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(6.44,5.51,;6.05,4.02,;4.56,3.62,;3.47,4.71,;1.98,4.31,;1.58,2.83,;2.67,1.74,;4.16,2.14,;.1,2.43,;.49,3.92,;-.3,.94,;-1.39,2.83,;-2.48,1.74,;-4.02,1.74,;-4.02,.2,;-2.48,.2,;-5.11,-.89,;-6.44,-.12,;-5.11,-2.43,;-6.44,-3.2,;-6.44,-4.74,;-5.11,-5.51,;-3.78,-4.74,;-2.31,-5.22,;-1.41,-3.97,;-2.31,-2.72,;-3.78,-3.2,)|
COc1cc(cnc1C)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(4.94,-3.69,;4.94,-2.15,;3.61,-1.38,;3.61,.16,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;2.28,-3.69,;2.28,2.47,;3.61,3.24,;2.28,4.01,;.94,3.24,;-.39,2.47,;-1.88,2.87,;-2.28,1.38,;-.79,.98,;-3.61,.61,;-4.94,1.38,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)|
CCOc1ncccc1S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(3.72,6.4,;2.23,6,;1.84,4.51,;2.92,3.43,;4.41,3.82,;5.5,2.73,;5.1,1.25,;3.61,.85,;2.53,1.94,;1.04,1.54,;1.44,3.03,;.64,.05,;-.45,1.94,;-1.54,.85,;-3.08,.85,;-3.08,-.69,;-1.54,-.69,;-4.17,-1.78,;-5.5,-1.01,;-4.17,-3.32,;-5.5,-4.09,;-5.5,-5.63,;-4.17,-6.4,;-2.83,-5.63,;-1.37,-6.11,;-.46,-4.86,;-1.37,-3.61,;-2.83,-4.09,)|
COc1cnc(C)c(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.18,13.13,(5.46,7.47,;5.46,5.93,;4.13,5.16,;2.79,5.93,;1.46,5.16,;1.46,3.62,;.13,2.85,;2.79,2.85,;4.13,3.62,;2.79,1.31,;4.33,1.31,;1.25,1.31,;2.79,-.23,;1.46,-1,;1.06,-2.48,;-.43,-2.08,;-.03,-.6,;-1.76,-2.85,;-3.09,-2.08,;-1.76,-4.39,;-.43,-5.16,;-.43,-6.7,;-1.76,-7.47,;-3.09,-6.7,;-4.56,-7.18,;-5.46,-5.93,;-4.56,-4.69,;-3.09,-5.16,)|
COc1ccncc1S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(5.61,.16,;4.28,.93,;2.94,.16,;2.94,-1.38,;1.61,-2.15,;.28,-1.38,;.28,.16,;1.61,.93,;1.61,2.47,;2.94,3.24,;1.61,4.01,;.28,3.24,;-1.06,2.47,;-2.55,2.87,;-2.94,1.38,;-1.46,.98,;-4.28,.61,;-5.61,1.38,;-4.28,-.93,;-5.61,-1.7,;-5.61,-3.24,;-4.28,-4.01,;-2.94,-3.24,;-1.48,-3.72,;-.57,-2.47,;-1.48,-1.22,;-2.94,-1.7,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CCC(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,1.48,;-4.59,.71,;-3.25,1.48,;-2.85,2.97,;-1.37,2.57,;-.03,3.34,;1.3,2.57,;2.07,3.91,;2.07,1.24,;2.84,2.57,;3.61,1.24,;5.15,1.24,;5.92,-.09,;5.92,2.57,;-1.77,1.09,;-4.59,-.83,;-5.92,-1.6,;-5.92,-3.14,;-4.59,-3.91,;-3.25,-3.14,;-1.79,-3.61,;-.88,-2.37,;-1.79,-1.12,;-3.25,-1.6,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2c(C)nn(C)c2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.93,-.18,;-4.59,-.95,;-3.5,.14,;-3.5,1.68,;-1.96,1.68,;-.87,2.77,;.61,2.37,;1.01,3.86,;.21,.88,;2.1,2.77,;2.58,4.23,;1.81,5.57,;4.12,4.23,;4.59,2.77,;5.93,2,;3.35,1.86,;3.35,.32,;-1.96,.14,;-4.59,-2.49,;-5.93,-3.26,;-5.93,-4.8,;-4.59,-5.57,;-3.26,-4.8,;-1.79,-5.27,;-.89,-4.03,;-1.79,-2.78,;-3.26,-3.26,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(Cl)cn2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.24,.28,;-4.91,-.49,;-3.82,.6,;-3.82,2.14,;-2.28,2.14,;-1.19,3.23,;.29,2.83,;.69,4.31,;-.1,1.34,;1.78,3.23,;2.87,2.14,;4.36,2.54,;4.76,4.02,;6.24,4.42,;3.67,5.11,;2.18,4.71,;-2.28,.6,;-4.91,-2.03,;-6.24,-2.8,;-6.24,-4.34,;-4.91,-5.11,;-3.58,-4.34,;-2.11,-4.82,;-1.21,-3.57,;-2.11,-2.33,;-3.58,-2.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cnccc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.38,;-3.61,.61,;-2.28,1.38,;-1.88,2.87,;-.39,2.47,;.94,3.24,;2.28,2.47,;3.61,3.24,;2.28,4.01,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;3.61,-1.38,;3.61,.16,;4.94,.93,;-.79,.98,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)|
CO[C@@H](C)C1CCN(CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:2.2,wD:16.19,14.14,(3.88,-4.98,;4.28,-3.49,;2.94,-2.72,;1.61,-3.49,;2.94,-1.18,;1.61,-.41,;1.61,1.13,;2.94,1.9,;4.28,1.13,;4.28,-.41,;2.94,3.44,;4.28,4.21,;2.94,4.98,;1.61,4.21,;.28,3.44,;-1.21,3.84,;-1.61,2.35,;-.12,1.95,;-2.94,1.58,;-4.28,2.35,;-2.94,.04,;-4.28,-.73,;-4.28,-2.27,;-2.94,-3.04,;-1.61,-2.27,;-.15,-2.75,;.76,-1.5,;-.15,-.25,;-1.61,-.73,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc3ncccc23)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,-1.01,;-4.17,-1.78,;-3.08,-.69,;-3.08,.85,;-1.54,.85,;-.45,1.94,;1.04,1.54,;1.44,3.03,;.64,.05,;2.53,1.94,;3.61,.85,;5.1,1.25,;5.5,2.73,;4.41,3.82,;4.81,5.31,;3.72,6.4,;2.23,6,;1.84,4.51,;2.92,3.43,;-1.54,-.69,;-4.17,-3.32,;-5.5,-4.09,;-5.5,-5.63,;-4.17,-6.4,;-2.83,-5.63,;-1.37,-6.11,;-.46,-4.86,;-1.37,-3.61,;-2.83,-4.09,)|
COc1ccc(cc1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(6.79,3.33,;5.7,4.42,;4.21,4.02,;3.12,5.11,;1.64,4.71,;1.24,3.23,;2.33,2.14,;3.81,2.54,;-.25,2.83,;.15,4.31,;-.65,1.34,;-1.74,3.23,;-2.83,2.14,;-4.37,2.14,;-4.37,.6,;-2.83,.6,;-5.46,-.49,;-6.79,.28,;-5.46,-2.03,;-6.79,-2.8,;-6.79,-4.34,;-5.46,-5.11,;-4.12,-4.34,;-2.66,-4.82,;-1.75,-3.57,;-2.66,-2.33,;-4.12,-2.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cnc3ccoc3c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.53,.33,;-5.19,-.44,;-4.1,.65,;-4.1,2.19,;-2.56,2.19,;-1.48,3.28,;.01,2.88,;.41,4.37,;-.39,1.39,;1.5,3.28,;1.97,4.74,;3.48,5.06,;4.51,3.92,;6.05,3.92,;6.53,2.45,;5.28,1.55,;4.04,2.45,;2.53,2.13,;-2.56,.65,;-5.19,-1.98,;-6.53,-2.75,;-6.53,-4.29,;-5.19,-5.06,;-3.86,-4.29,;-2.4,-4.77,;-1.49,-3.52,;-2.4,-2.28,;-3.86,-2.75,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cn(C)c(=O)cc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,-.52,;-4.59,-1.29,;-3.25,-.52,;-2.85,.97,;-1.37,.57,;-.03,1.34,;1.3,.57,;2.63,-.2,;.53,-.76,;2.07,1.91,;3.61,1.91,;4.38,3.24,;5.92,3.24,;3.61,4.57,;4.38,5.91,;2.07,4.57,;1.3,3.24,;-.24,3.24,;-1.77,-.92,;-4.59,-2.83,;-5.92,-3.6,;-5.92,-5.14,;-4.59,-5.91,;-3.25,-5.14,;-1.79,-5.61,;-.88,-4.37,;-1.79,-3.12,;-3.25,-3.6,)|
COc1cncc(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(3.72,6.4,;4.81,5.31,;4.41,3.82,;5.5,2.73,;5.1,1.25,;3.61,.85,;2.53,1.94,;2.92,3.43,;1.04,1.54,;1.44,3.03,;.64,.05,;-.45,1.94,;-1.54,.85,;-3.08,.85,;-3.08,-.69,;-1.54,-.69,;-4.17,-1.78,;-5.5,-1.01,;-4.17,-3.32,;-5.5,-4.09,;-5.5,-5.63,;-4.17,-6.4,;-2.83,-5.63,;-1.37,-6.11,;-.46,-4.86,;-1.37,-3.61,;-2.83,-4.09,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(=O)n(C)c2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,-.52,;-4.59,-1.29,;-3.25,-.52,;-2.85,.97,;-1.37,.57,;-.03,1.34,;1.3,.57,;2.63,-.2,;.53,-.76,;2.07,1.91,;1.3,3.24,;2.07,4.57,;3.61,4.57,;4.38,5.91,;4.38,3.24,;5.92,3.24,;3.61,1.91,;4.38,.57,;-1.77,-.92,;-4.59,-2.83,;-5.92,-3.6,;-5.92,-5.14,;-4.59,-5.91,;-3.25,-5.14,;-1.79,-5.61,;-.88,-4.37,;-1.79,-3.12,;-3.25,-3.6,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C2CC(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.99,1.48,;-4.66,.71,;-3.32,1.48,;-2.92,2.97,;-1.44,2.57,;-.1,3.34,;1.23,2.57,;2,3.91,;.46,1.24,;2.56,1.8,;2.96,.32,;4.45,.71,;5.99,.71,;5.22,-.62,;4.05,2.2,;-1.84,1.09,;-4.66,-.83,;-5.99,-1.6,;-5.99,-3.14,;-4.66,-3.91,;-3.32,-3.14,;-1.86,-3.61,;-.95,-2.37,;-1.86,-1.12,;-3.32,-1.6,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(=O)n(C)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,-.52,;-4.59,-1.29,;-3.25,-.52,;-2.85,.97,;-1.37,.57,;-.03,1.34,;1.3,.57,;2.63,-.2,;.53,-.76,;2.07,1.91,;1.3,3.24,;2.07,4.57,;3.61,4.57,;4.38,5.91,;4.38,3.24,;5.92,3.24,;3.61,1.91,;-1.77,-.92,;-4.59,-2.83,;-5.92,-3.6,;-5.92,-5.14,;-4.59,-5.91,;-3.25,-5.14,;-1.79,-5.61,;-.88,-4.37,;-1.79,-3.12,;-3.25,-3.6,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(F)cc2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.24,.28,;-4.91,-.49,;-3.82,.6,;-3.82,2.14,;-2.28,2.14,;-1.19,3.23,;.29,2.83,;.69,4.31,;-.1,1.34,;1.78,3.23,;2.18,4.71,;3.67,5.11,;4.76,4.02,;6.24,4.42,;4.36,2.54,;2.87,2.14,;-2.28,.6,;-4.91,-2.03,;-6.24,-2.8,;-6.24,-4.34,;-4.91,-5.11,;-3.58,-4.34,;-2.11,-4.82,;-1.21,-3.57,;-2.11,-2.33,;-3.58,-2.8,)|
CC(C)Oc1cccc(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:16.19,14.14,(6.44,3.33,;6.05,1.85,;7.13,.76,;4.56,1.45,;3.47,2.54,;3.87,4.02,;2.78,5.11,;1.29,4.71,;.89,3.23,;1.98,2.14,;-.6,2.83,;-.2,4.31,;-.99,1.34,;-2.08,3.23,;-3.17,2.14,;-4.71,2.14,;-4.71,.6,;-3.17,.6,;-5.8,-.49,;-7.13,.28,;-5.8,-2.03,;-7.13,-2.8,;-7.13,-4.34,;-5.8,-5.11,;-4.47,-4.34,;-3,-4.82,;-2.1,-3.57,;-3,-2.33,;-4.47,-2.8,)|
COC[C@H]1CC[C@@H](CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:3.2,wD:15.18,13.13,6.9,(4.81,-4.74,;4.04,-3.41,;4.81,-2.08,;4.04,-.74,;2.5,-.74,;1.73,.59,;2.5,1.92,;4.04,1.92,;4.81,.59,;1.73,3.26,;1.33,4.74,;2.82,4.35,;.24,3.66,;-.85,2.57,;-2.39,2.57,;-2.39,1.03,;-.85,1.03,;-3.48,-.06,;-4.81,.71,;-3.48,-1.6,;-4.81,-2.37,;-4.81,-3.91,;-3.48,-4.68,;-2.14,-3.91,;-.68,-4.39,;.23,-3.14,;-.68,-1.9,;-2.14,-2.37,)|
COc1ccc(Cl)c(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(6.94,1.8,;5.61,2.57,;4.28,1.8,;4.28,.26,;2.94,-.51,;1.61,.26,;.28,-.51,;1.61,1.8,;2.94,2.57,;.28,2.57,;-.49,1.24,;1.05,3.91,;-1.06,3.34,;-2.39,2.57,;-3.88,2.97,;-4.28,1.48,;-2.79,1.09,;-5.61,.71,;-6.94,1.48,;-5.61,-.83,;-6.94,-1.6,;-6.94,-3.14,;-5.61,-3.91,;-4.28,-3.14,;-2.81,-3.61,;-1.91,-2.37,;-2.81,-1.12,;-4.28,-1.6,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CC2CCC(F)(F)CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.59,1.41,;-4.26,.64,;-2.92,1.41,;-2.52,2.89,;-1.04,2.5,;.3,3.27,;1.63,2.5,;3.12,2.89,;2.03,3.98,;1.23,1.01,;2.32,-.08,;1.92,-1.57,;3.01,-2.66,;4.5,-2.26,;5.59,-3.35,;4.5,-3.8,;4.9,-.77,;3.81,.32,;-1.43,1.01,;-4.26,-.9,;-5.59,-1.67,;-5.59,-3.21,;-4.26,-3.98,;-2.92,-3.21,;-1.46,-3.69,;-.55,-2.44,;-1.46,-1.2,;-2.92,-1.67,)|
CN([C@@H]1C[C@H](CS(=O)(=O)CCC(C)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.28,1.48,;-4.95,.71,;-3.61,1.48,;-3.21,2.97,;-1.73,2.57,;-.39,3.34,;.94,2.57,;1.71,3.91,;1.71,1.24,;2.48,2.57,;3.25,1.24,;4.79,1.24,;6.28,1.64,;5.56,-.09,;5.56,2.57,;-2.12,1.09,;-4.95,-.83,;-6.28,-1.6,;-6.28,-3.14,;-4.95,-3.91,;-3.61,-3.14,;-2.15,-3.61,;-1.24,-2.37,;-2.15,-1.12,;-3.61,-1.6,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(c(F)c2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.91,-.15,;-5.58,-.92,;-4.49,.17,;-4.49,1.71,;-2.95,1.71,;-1.86,2.8,;-.37,2.4,;.03,3.89,;-.77,.92,;1.12,2.8,;1.51,4.29,;3,4.69,;4.09,3.6,;3.69,2.11,;4.78,1.02,;2.2,1.71,;5.58,4,;6.67,2.91,;6.91,4.77,;5.58,5.54,;-2.95,.17,;-5.58,-2.46,;-6.91,-3.23,;-6.91,-4.77,;-5.58,-5.54,;-4.24,-4.77,;-2.78,-5.24,;-1.87,-4,;-2.78,-2.75,;-4.24,-3.23,)|
CC[C@H](C)CS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:2.2,wD:11.13,9.8,(3.9,-2.66,;2.81,-1.57,;3.21,-.08,;4.7,.32,;2.12,1.01,;2.52,2.5,;4.01,2.89,;2.92,3.98,;1.19,3.27,;-.15,2.5,;-1.63,2.89,;-2.03,1.41,;-.54,1.01,;-3.37,.64,;-4.7,1.41,;-3.37,-.9,;-4.7,-1.67,;-4.7,-3.21,;-3.37,-3.98,;-2.03,-3.21,;-.57,-3.69,;.34,-2.44,;-.57,-1.2,;-2.03,-1.67,)|
COCc1cccc(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(6.44,4.97,;5.35,6.06,;3.87,5.66,;3.47,4.17,;4.56,3.08,;4.16,1.59,;2.67,1.19,;1.58,2.28,;1.98,3.77,;.1,1.88,;.49,3.37,;-.3,.4,;-1.39,2.28,;-2.48,1.19,;-4.02,1.19,;-4.02,-.35,;-2.48,-.35,;-5.11,-1.44,;-6.44,-.67,;-5.11,-2.98,;-6.44,-3.75,;-6.44,-5.29,;-5.11,-6.06,;-3.78,-5.29,;-2.31,-5.76,;-1.41,-4.52,;-2.31,-3.27,;-3.78,-3.75,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2cnc(C)s2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-3.07,-1.66,;-1.74,-2.43,;-.65,-1.34,;-.65,.2,;.89,.2,;1.98,1.29,;1.58,2.78,;3.07,3.17,;.1,2.38,;1.18,4.26,;2.09,5.51,;1.18,6.76,;-.28,6.28,;-1.61,7.05,;-.28,4.74,;.89,-1.34,;-1.74,-3.97,;-3.07,-4.74,;-3.07,-6.28,;-1.74,-7.05,;-.4,-6.28,;1.06,-6.76,;1.97,-5.51,;1.06,-4.26,;-.4,-4.74,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccncc2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,.28,;-4.17,-.49,;-3.08,.6,;-3.08,2.14,;-1.54,2.14,;-.45,3.23,;1.04,2.83,;1.44,4.31,;.64,1.34,;2.53,3.23,;3.61,2.14,;5.1,2.54,;5.5,4.02,;4.41,5.11,;2.92,4.71,;-1.54,.6,;-4.17,-2.03,;-5.5,-2.8,;-5.5,-4.34,;-4.17,-5.11,;-2.83,-4.34,;-1.37,-4.82,;-.46,-3.57,;-1.37,-2.33,;-2.83,-2.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(Cl)cc2F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.24,-.07,;-4.91,-.84,;-3.82,.25,;-3.82,1.79,;-2.28,1.79,;-1.19,2.88,;.29,2.48,;.69,3.97,;-.1,.99,;1.78,2.88,;2.87,1.79,;4.36,2.19,;4.76,3.68,;6.24,4.08,;3.67,4.77,;2.18,4.37,;1.09,5.46,;-2.28,.25,;-4.91,-2.38,;-6.24,-3.15,;-6.24,-4.69,;-4.91,-5.46,;-3.58,-4.69,;-2.11,-5.16,;-1.21,-3.92,;-2.11,-2.67,;-3.58,-3.15,)|
CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(nc2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.28,1.61,;-2.94,.84,;-1.61,1.61,;-1.21,3.09,;.28,2.7,;1.61,3.47,;2.94,2.7,;4.28,3.47,;2.94,4.24,;2.94,1.15,;1.61,.38,;1.61,-1.16,;2.94,-1.93,;4.28,-1.15,;4.28,.39,;2.94,-3.47,;4.28,-4.24,;1.61,-4.24,;1.61,-2.7,;-.12,1.21,;-2.94,-.7,;-4.28,-1.47,;-4.28,-3.01,;-2.94,-3.78,;-1.61,-3.01,;-.15,-3.49,;.76,-2.24,;-.15,-1,;-1.61,-1.47,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CF)CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.28,1.61,;-2.94,.84,;-1.61,1.61,;-1.21,3.09,;.28,2.69,;1.61,3.47,;2.94,2.69,;4.28,3.47,;2.94,4.23,;2.94,1.15,;1.61,.38,;1.61,-1.15,;2.94,-1.93,;2.94,-3.46,;4.28,-4.23,;4.28,-1.15,;4.28,.38,;-.12,1.21,;-2.94,-.7,;-4.28,-1.47,;-4.28,-3.01,;-2.94,-3.78,;-1.61,-3.01,;-.15,-3.49,;.76,-2.24,;-.15,-1,;-1.61,-1.47,)|
CO[C@H](C)C1CCN(CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:16.19,14.14,2.2,(4.28,-5.01,;4.28,-3.47,;2.94,-2.7,;1.61,-3.47,;2.94,-1.16,;4.28,-.38,;4.28,1.16,;2.94,1.92,;1.61,1.15,;1.61,-.39,;2.94,3.47,;4.28,4.24,;2.94,5.01,;1.61,4.24,;.28,3.47,;-1.21,3.86,;-1.61,2.38,;-.12,1.98,;-2.94,1.61,;-4.28,2.38,;-2.94,.07,;-4.28,-.7,;-4.28,-2.24,;-2.94,-3.01,;-1.61,-2.24,;-.15,-2.72,;.76,-1.47,;-.15,-.23,;-1.61,-.7,)|
COc1ccc2CN(CCc2n1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,16.17,(-8.8,-2.05,;-8.8,-.51,;-7.46,.26,;-7.46,1.8,;-6.13,2.57,;-4.8,1.8,;-3.46,2.57,;-2.13,1.8,;-2.13,.26,;-3.46,-.51,;-4.8,.26,;-6.13,-.51,;-.79,2.57,;-.02,1.24,;-1.56,3.91,;.54,3.34,;1.87,2.57,;3.36,2.97,;3.76,1.48,;2.27,1.09,;5.09,.71,;6.43,1.48,;5.09,-.83,;3.76,-1.6,;3.76,-3.14,;5.09,-3.91,;6.43,-3.14,;7.89,-3.61,;8.8,-2.37,;7.89,-1.12,;6.43,-1.6,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2Cc3cn(C)nc3C(C)(C)C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(4.45,4.1,;3.68,2.77,;2.14,2.77,;1.05,3.86,;-.04,2.77,;-1.58,2.77,;-2.35,1.44,;-1.01,.67,;-3.68,2.21,;-3.12,.1,;-4.66,.1,;-5.43,-1.23,;-6.93,-1.55,;-7.09,-3.08,;-8.43,-3.85,;-5.69,-3.71,;-4.66,-2.56,;-3.12,-2.56,;-3.12,-4.1,;-1.78,-3.33,;-2.35,-1.23,;1.05,1.68,;4.45,1.44,;3.68,.1,;4.45,-1.23,;5.99,-1.23,;6.76,.1,;8.27,.42,;8.43,1.95,;7.02,2.58,;5.99,1.44,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCn3cncc3C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(2.95,4.52,;2.18,3.19,;.64,3.19,;-.45,4.27,;-1.54,3.19,;-3.08,3.19,;-3.85,1.85,;-2.51,1.08,;-5.18,2.62,;-4.62,.52,;-6.16,.52,;-6.93,-.82,;-6.16,-2.15,;-6.63,-3.61,;-5.39,-4.52,;-4.14,-3.61,;-4.62,-2.15,;-3.85,-.82,;-.45,2.1,;2.95,1.85,;2.18,.52,;2.95,-.82,;4.49,-.82,;5.26,.52,;6.77,.84,;6.93,2.37,;5.52,3,;4.49,1.85,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2Cc3cnn(C)c3C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(3.44,4.61,;2.67,3.27,;1.13,3.27,;.04,4.36,;-1.05,3.27,;-2.59,3.27,;-3.36,1.94,;-2.03,1.17,;-4.7,2.71,;-4.13,.6,;-5.67,.6,;-6.15,-.88,;-7.41,-1.79,;-6.93,-3.27,;-5.38,-3.27,;-4.61,-4.61,;-4.89,-1.79,;-3.63,-.88,;.04,2.18,;3.44,1.94,;2.67,.6,;3.44,-.73,;4.98,-.73,;5.75,.6,;7.25,.92,;7.41,2.46,;6.01,3.08,;4.98,1.94,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCCC(C2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(2.95,4.68,;2.18,3.35,;.64,3.35,;-.44,4.44,;-1.53,3.35,;-3.07,3.35,;-3.84,2.02,;-2.51,1.25,;-5.18,2.79,;-4.61,.68,;-6.15,.68,;-6.93,-.67,;-6.15,-2.02,;-4.6,-2.02,;-3.82,-.67,;-3.83,-3.35,;-3.06,-4.68,;-2.49,-2.58,;-5.16,-4.12,;-.44,2.26,;2.95,2.02,;2.18,.68,;2.95,-.65,;4.49,-.65,;5.26,.68,;6.77,1,;6.93,2.53,;5.52,3.16,;4.49,2.02,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCc3c(C2)c(C)nn3C)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(3.47,4.55,;2.7,3.21,;1.16,3.21,;.07,4.3,;-1.02,3.21,;-2.56,3.21,;-3.33,1.88,;-1.99,1.11,;-4.66,2.65,;-4.1,.55,;-5.64,.55,;-6.41,-.8,;-5.64,-2.15,;-4.08,-2.15,;-3.3,-.8,;-3.6,-3.63,;-2.26,-4.4,;-4.86,-4.55,;-6.12,-3.63,;-7.45,-4.4,;.07,2.12,;3.47,1.88,;2.7,.55,;3.47,-.79,;5.01,-.79,;5.78,.55,;7.29,.87,;7.45,2.4,;6.04,3.02,;5.01,1.88,)|
COc1ccc2CN(Cc2c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:17.21,15.16,(-8.03,-5.14,;-8.03,-3.6,;-6.7,-2.83,;-5.36,-3.6,;-4.03,-2.83,;-4.03,-1.29,;-2.89,-.26,;-3.51,1.14,;-5.04,.98,;-5.36,-.52,;-6.7,-1.29,;-2.74,2.48,;-1.41,1.71,;-4.08,3.25,;-1.97,3.81,;-.43,3.81,;.66,4.9,;1.74,3.81,;.66,2.72,;3.28,3.81,;4.05,5.14,;4.05,2.48,;3.28,1.14,;4.05,-.19,;5.59,-.19,;6.36,1.14,;7.87,1.46,;8.03,2.99,;6.63,3.62,;5.59,2.48,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2Cc3ccccc3C(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(4.11,4.1,;3.34,2.77,;1.8,2.77,;.71,3.86,;-.38,2.77,;-1.92,2.77,;-2.69,1.44,;-1.36,.67,;-4.03,2.21,;-3.46,.1,;-5,.1,;-5.77,-1.23,;-7.31,-1.23,;-8.08,-2.56,;-7.31,-3.9,;-5.77,-3.9,;-5,-2.56,;-3.46,-2.56,;-3.46,-4.1,;-2.13,-3.33,;-2.69,-1.23,;.71,1.68,;4.11,1.44,;3.34,.1,;4.11,-1.23,;5.65,-1.23,;6.42,.1,;7.92,.42,;8.08,1.95,;6.68,2.58,;5.65,1.44,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCc3ccccc3C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(4.11,4,;3.34,2.67,;1.8,2.67,;.71,3.76,;-.38,2.67,;-1.92,2.67,;-2.69,1.33,;-1.36,.56,;-4.03,2.1,;-3.46,,;-2.69,-1.33,;-3.46,-2.67,;-5,-2.67,;-5.77,-4,;-7.31,-4,;-8.08,-2.67,;-7.31,-1.33,;-5.77,-1.33,;-5,,;.71,1.58,;4.11,1.33,;3.34,,;4.11,-1.33,;5.65,-1.33,;6.42,,;7.92,.32,;8.08,1.85,;6.68,2.48,;5.65,1.33,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCn3cccc3C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(2.95,4.52,;2.18,3.19,;.64,3.19,;-.45,4.27,;-1.54,3.19,;-3.08,3.19,;-3.85,1.85,;-2.51,1.08,;-5.18,2.62,;-4.62,.52,;-6.16,.52,;-6.93,-.82,;-6.16,-2.15,;-6.63,-3.61,;-5.39,-4.52,;-4.14,-3.61,;-4.62,-2.15,;-3.85,-.82,;-.45,2.1,;2.95,1.85,;2.18,.52,;2.95,-.82,;4.49,-.82,;5.26,.52,;6.77,.84,;6.93,2.37,;5.52,3,;4.49,1.85,)|
CNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3CC2CC2(F)F)cc1C |r,THB:23:22:21.15.16:19.18|
CCOC(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cnsc2)n1 |r,THB:3:5:10.11.12:8.7|
CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(CC[C@H]1C)C(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)CC#N |r|
COCCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CCC#N)CC[C@H]1C |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)C=C |r|
CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CC[C@H](O)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@@H]1CC[C@@H](O)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@@H]1CC[C@H](C1)OC(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CC[C@@H](C1)OC(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CC[C@@H](O)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CC[C@H](C1)OC(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CC[C@@H](C1)OC(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CC[C@H](O)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CC[C@H](CS(=O)(=O)NC)CC1 |r,wU:15.16,wD:18.20,(-8,-1.82,;-6.67,-1.05,;-5.33,-1.82,;-4,-1.05,;-4,.49,;-2.67,-1.82,;-2.67,-3.36,;-1.33,-4.13,;,-3.36,;1.46,-3.84,;2.37,-2.59,;1.46,-1.35,;,-1.82,;-1.33,-1.05,;-1.33,.49,;,1.26,;,2.8,;1.33,3.57,;2.67,2.8,;4,3.57,;5.33,2.8,;6.1,4.13,;4.56,1.46,;6.67,2.03,;8,2.8,;2.67,1.26,;1.33,.49,)|
CCOC(=O)c1cnc2[nH]ccc2c1NC1CCC(C1)OCCC#N
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
COC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)CC#N |r|
C[C@@H]1CCN(C[C@@H]1Nc1c(cnc2[nH]ccc12)C(=O)OC(C)(C)C)C(=O)CC#N |r|
C[C@@H]1CCN(C[C@@H]1Nc1c(cnc2[nH]ccc12)C(O)=O)C(=O)CC#N |r|
OC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(CCC#N)C1 |r|
CC(C)OC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)CC#N |r|
CCCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)C1(CC1)C#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)C(C)C#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)C1(CC1)C#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)C(C)C#N |r|
CCCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
COCCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1NC1CCCC(CCC#N)C1
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@@H](CCC#N)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@H](CCC#N)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCC[C@H](CCC#N)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCC[C@@H](CCC#N)C1 |r|
CCCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@@H](CCC#N)C1 |r|
CCCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@H](CCC#N)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1NC1CCCC(O)C1
CCOC(=O)c1cnc2[nH]ccc2c1NC1CCC(O)C(CC#N)C1
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCCN(C1)C(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)C(C)(C)C#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)C(=O)OCC1CC1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CC[C@H](C)N(C1)C(=O)CC#N |r|
OC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@H](CCC#N)C1 |r|
COCCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@H](CCC#N)C1 |r|
COCCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@@H](CCC#N)C1 |r|
COCCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCC[C@H](CCC#N)C1 |r|
COC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@H](CCC#N)C1 |r|
COC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCC[C@H](CCC#N)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1NC1CCC(CCC#N)C1
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(-1.81,6.37,;-2.71,5.12,;-2.09,3.72,;-.56,3.56,;.35,4.8,;-2.99,2.47,;-2.52,1.01,;-3.76,.1,;-5.01,1.01,;-4.53,2.47,;-3.76,-1.44,;-2.43,-2.21,;-2.43,-3.75,;-3.76,-4.52,;-5.1,-3.75,;-6.56,-4.22,;-7.47,-2.98,;-6.56,-1.73,;-5.1,-2.21,;-1.1,-4.52,;-.94,-6.05,;.57,-6.37,;1.34,-5.04,;.31,-3.89,;2.87,-4.88,;3.5,-3.47,;5.03,-3.31,;5.94,-4.55,;7.47,-4.39,;5.31,-5.96,;3.78,-6.12,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H]1CC[C@H](O)CC1 |r,wU:24.27,27.31,(-1.81,6.37,;-2.71,5.12,;-2.09,3.72,;-.56,3.56,;.35,4.8,;-2.99,2.47,;-2.52,1.01,;-3.76,.1,;-5.01,1.01,;-4.53,2.47,;-3.76,-1.44,;-2.43,-2.21,;-2.43,-3.75,;-3.76,-4.52,;-5.1,-3.75,;-6.56,-4.22,;-7.47,-2.98,;-6.56,-1.73,;-5.1,-2.21,;-1.1,-4.52,;-.94,-6.05,;.57,-6.37,;1.34,-5.04,;.31,-3.89,;2.87,-4.88,;3.78,-6.12,;5.31,-5.96,;5.94,-4.55,;7.47,-4.39,;5.03,-3.31,;3.5,-3.47,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H]2C[C@H](CO)C2)c1 |r,wU:26.29,24.26,(-7.55,12.73,;-6.92,14.14,;-5.39,14.3,;-4.76,15.71,;-3.23,15.87,;-4.48,13.06,;-4.96,11.59,;-3.71,10.69,;-2.47,11.59,;-2.94,13.06,;-3.71,9.15,;-2.38,8.38,;-2.38,6.84,;-3.71,6.07,;-5.05,6.84,;-6.51,6.36,;-7.42,7.61,;-6.51,8.85,;-5.05,8.38,;-1.05,6.07,;-.88,4.53,;.62,4.21,;1.39,5.55,;2.92,5.71,;3.83,4.46,;3.59,2.94,;5.11,2.7,;6.01,1.46,;7.55,1.62,;5.35,4.22,;.36,6.69,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@@](C)(O)C1 |r,wU:24.27,26.31,wD:26.30,(.5,8.74,;-.41,7.49,;.22,6.08,;1.75,5.92,;2.66,7.17,;-.69,4.84,;-.21,3.37,;-1.46,2.47,;-2.7,3.37,;-2.23,4.84,;-1.46,.93,;-.12,.16,;-.12,-1.38,;-1.46,-2.15,;-2.79,-1.38,;-4.26,-1.86,;-5.16,-.61,;-4.26,.63,;-2.79,.16,;1.21,-2.15,;2.62,-1.53,;3.65,-2.67,;2.88,-4.01,;1.37,-3.68,;3.5,-5.41,;4.94,-5.96,;4.39,-7.4,;3.62,-8.74,;5.16,-8.74,;2.95,-6.85,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@](O)(CO)C1 |r,wU:24.27,26.30,wD:26.31,(-.25,19.36,;-1.15,18.12,;-.53,16.71,;1.01,16.55,;1.91,17.79,;-1.43,15.46,;-.95,14,;-2.2,13.09,;-3.45,14,;-2.97,15.46,;-2.2,11.55,;-.87,10.78,;-.87,9.24,;-2.2,8.47,;-3.53,9.24,;-5,8.77,;-5.9,10.01,;-5,11.26,;-3.53,10.78,;.47,8.47,;1.87,9.1,;2.9,7.96,;2.13,6.62,;.63,6.94,;2.76,5.22,;4.2,4.66,;3.65,3.23,;5.19,3.23,;4.42,1.89,;5.9,1.49,;2.21,3.78,)|
CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@H](CO)C1 |r,wU:26.30,wD:24.27,(-7.02,-8.06,;-6.11,-6.82,;-4.58,-6.98,;-3.95,-8.39,;-4.86,-9.63,;-3.67,-5.73,;-4.15,-4.27,;-2.9,-3.36,;-1.66,-4.27,;-2.13,-5.73,;-2.9,-1.82,;-1.57,-1.05,;-1.57,.49,;-2.9,1.26,;-4.24,.49,;-5.7,.96,;-6.61,-.28,;-5.7,-1.53,;-4.24,-1.05,;-.24,1.26,;-.08,2.79,;1.43,3.11,;2.2,1.77,;1.17,.63,;3.73,1.61,;4.7,.42,;5.9,1.39,;7.43,1.22,;8.06,-.18,;4.93,2.58,)|
C[C@@H](CC(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC[C@H](n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1)C(C)(F)F |r|
CC[C@@H](CC1CC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
C[C@@H]1CC[C@@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
CC1(CC1)S(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CN(C)S(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC#N)(C1)n1ccc(c1)-c1c(cnc2[nH]ccc12)C#N
CS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CCCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CC(C)CS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
O=S(=O)(C1CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
FC(F)(F)CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CC1(CC1)S(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CN(C)S(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CCCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CCS(=O)(=O)N1CC(C1)(C(C)C#N)n1cc(cn1)-c1ncnc2[nH]ccc12
CC(C)S(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
FC(F)(F)CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CCS(=O)(=O)N1CC(C1)(C(C)C#N)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(c(C)n1)-c1ccnc2[nH]ccc12
O=S(=O)(N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)N1CCCC1
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cc1C#N)-c1ncnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(c(Cl)n1)-c1ccnc2[nH]ccc12
CC(C)S(=O)(=O)N1CC(CC#N)(C1)n1cc(c(C)n1)-c1ncnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(Cl)cnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(C)c(c1)-c1ncnc2[nH]ccc12
COc1ccc(cc1)-c1cc2ncc(C(N)=O)c(N[C@@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)n2n1 |r|
COc1ccc(F)c(c1)-c1cc2ncc(C(N)=O)c(N[C@@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)n2n1
CC1(C)CN(CC[C@H]1Nc1c(cnc2cc(nn12)-c1cccnc1)C(N)=O)c1ccc(nn1)C#N |r|
COc1ccc(cn1)-c1cc2ncc(C(N)=O)c(N[C@@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)n2n1
CCOc1ccc(cn1)-c1cc2ncc(C(N)=O)c(N[C@@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)n2n1
CC1(C)CN(CC[C@H]1Nc1c(cnc2cc(nn12)-c1ccc(N)nc1)C(N)=O)c1ccc(nn1)C#N
CC1(C)CN(CC[C@H]1Nc1c(cnc2cc(nn12)-c1ccc(nc1)N1CCOCC1)C(N)=O)c1ccc(nn1)C#N
COc1ncc(cn1)-c1cc2ncc(C(N)=O)c(N[C@@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)n2n1
CCOc1ncc(cn1)-c1cc2ncc(C(N)=O)c(N[C@@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)n2n1
CC1(C)CN(CC[C@H]1Nc1c(cnc2cc(nn12)-c1ccc(F)nc1)C(N)=O)c1ccc(nn1)C#N
COc1cccc(n1)-c1cc2ncc(C(N)=O)c(N[C@@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)n2n1
Cc1cc(ccn1)-c1cc2ncc(C(N)=O)c(N[C@@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)n2n1
CC1(C)CN(CC[C@H]1Nc1c(cnc2cc(nn12)-c1ccnc(c1)N1CCOCC1)C(N)=O)c1ccc(nn1)C#N
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:15,t:11|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C[C@H](N)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccc(cc1)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:14,t:10|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:13,t:9|
C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O
N#CC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3[nH]ccc3c12)-c1c[nH]cn1 |r,wU:3.2,wD:6.9,(5.82,3.67,;4.34,4.07,;2.85,4.47,;1.76,3.38,;2.16,1.89,;1.07,.81,;-.42,1.2,;-.82,2.69,;.27,3.78,;-1.51,.12,;-3.04,.28,;-3.66,-1.13,;-2.52,-2.16,;-2.52,-3.7,;-1.19,-4.47,;.15,-3.7,;1.61,-4.18,;2.52,-2.93,;1.61,-1.69,;.15,-2.16,;-1.19,-1.39,;-3.81,1.61,;-5.35,1.61,;-5.82,3.07,;-4.58,3.98,;-3.33,3.07,)|
CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1CO
CNC(=O)c1nnc(cc1Nc1nccc(-c2ncn(C)n2)c1OC)N1CCN(C(C)C)C1=O
CNC(=O)c1nnc(NC(=O)N2CC(C)(C)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
COc1c(Nc2cc(NC(=O)C3CC3)ncc2C(=O)C2CC2)nccc1-c1ncn(C)n1
Cc1cccnc1Nc1cc(Nc2ccc(c(F)n2)C(C)(C)O)ncc1C(=O)C1CC1
CCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cccc(n2)C#N)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cccc(n2)C#N)cc1Nc1nccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(c(F)n2)C(C)(C)O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(c(F)n2)C(C)(C)O)cc1Nc1nccc(-c2ncn(C)n2)c1OC
FC(F)Oc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
OC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2ccccc2cc1OC(F)F
FC(F)Oc1cc2ccccc2cc1-c1nn(CC(=O)N2CCC(CN3CCOCC3)CC2)cc1NC(=O)c1cnn2cccnc12
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2ccccc2cc1OC(F)F
FC(F)Oc1cc2ccccc2cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCCNC1
FC(F)Oc1cc2NCCOc2cc1-c1nn(CC(=O)N2CCCCC2)cc1NC(=O)c1cnn2cccnc12
COC(=O)c1cc2cc(OC(F)F)c(cc2s1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2sccc2cc1OC(F)F
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cc2cc(OC(F)F)c(cc2s1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2cc(sc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12)C(=O)N1CCNCC1
FC(F)Oc1cc2NCCOc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2NCCSc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
NCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCCNc2cc1OC(F)F
FC(F)Oc1cc2NC(=O)CSc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
OCC1Cc2cc(OC(F)F)c(cc2O1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2CCOc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2CCCOc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)Cn1ncc2cc(-c3n[nH]cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc12
COC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2sc(cc2cc1OC(F)F)C#N
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2sc(cc2cc1OC(F)F)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Nc1cc(OC(F)F)c(cc1C=N)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COc1cc2cc(C)sc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COc1cc2sc(cc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12)C(N)=O
COc1cc2sc(cc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12)C#N
Cc1cc2cc(OC(F)F)c(cc2s1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2CCCc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COc1cc2CCCc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COc1cc2cnccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COc1cc2[nH]cnc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COc1cc2cnsc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COc1cc2sncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COc1cc2sccc2cc1-c1[nH]ncc1NC(=O)c1cnn2cccnc12
COc1cc2ccsc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
CCOC(=O)c1cc2cc(-c3n[nH]cc3NC(=O)c3cnn4cccnc34)c(OC)cc2s1
CC1CNc2cc(OC(F)F)c(cc2S1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
NCC1CNc2cc(OC(F)F)c(cc2S1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
CC1Sc2cc(-c3n[nH]cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2NC1=O
FC(F)Oc1cc2NC(=O)COc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
CC1CSc2cc(-c3n[nH]cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2N1
C[C@H]1COc2cc(-c3n[nH]cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2N1 |r|
C[C@@H]1COc2cc(-c3n[nH]cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2N1 |r|
FC(F)Oc1cc2NCCOc2cc1-c1nn(CC(=O)N2CCC(CN3CCOCC3)CC2)cc1NC(=O)c1cnn2cccnc12
C[C@H]1CNc2cc(OC(F)F)c(cc2S1)-c1nn(CC(=O)N2CCC(CN3CCOCC3)CC2)cc1NC(=O)c1cnn2cccnc12 |r|
C[C@@H]1CNc2cc(OC(F)F)c(cc2S1)-c1nn(CC(=O)N2CCC(CN3CCOCC3)CC2)cc1NC(=O)c1cnn2cccnc12 |r|
FC(F)Oc1cc2NCCOc2cc1-c1nn(CC(=O)N2CCC(CC2)N2CCOCC2)cc1NC(=O)c1cnn2cccnc12
OC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCCNc2cc1OC(F)F
FC(F)Oc1cc2NCCOc2cc1-c1nn(CC(=O)N2CCC=CC2)cc1NC(=O)c1cnn2cccnc12 |c:25|
FC(F)Oc1cc2NCCSc2cc1-c1nn(CC(=O)N2CCC=CC2)cc1NC(=O)c1cnn2cccnc12 |c:25|
FC(F)Oc1cc2NCCSc2cc1-c1nn(CC(=O)N2CCCCC2)cc1NC(=O)c1cnn2cccnc12
OC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCCNc2cc1OC(F)F
CCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2cn[nH]c2cc1OC(F)F
COc1cc2ccsc2cc1-c1nn(CC(=O)N2CCC(CC2)N2CCOCC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2cc(sc2cc1-c1nn(CC(=O)N2CCC(CC2)N2CCOCC2)cc1NC(=O)c1cnn2cccnc12)C#N
NC(=O)c1cc2cc(OC(F)F)c(cc2s1)-c1nn(CC(=O)N2CCC(CC2)N2CCOCC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2ccccc2cc1-c1nn(CC(=O)N2CCC(CC2)N2CCOCC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2NCCSc2cc1-c1nn(CC(=O)N2CCC(CC2)N2CCOCC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2NCCSc2cc1-c1nn(CC(=O)N2CCC(CN3CCOCC3)CC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2cc(sc2cc1-c1nn(CC(=O)N2CCC(CN3CCOCC3)CC2)cc1NC(=O)c1cnn2cccnc12)C#N
NC(=O)c1cc2cc(OC(F)F)c(cc2s1)-c1nn(CC(=O)N2CCC(CN3CCOCC3)CC2)cc1NC(=O)c1cnn2cccnc12
NC(=O)c1cc2cc(OC(F)F)c(cc2s1)-c1nn(CC(=O)N2CCC(=O)CC2)cc1NC(=O)c1cnn2cccnc12
CN(CCC#N)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2ccccc2cc1OC(F)F
NC(=O)c1cc2cc(OC(F)F)c(cc2s1)-c1nn(CC(=O)N2CCC(CC2)NCC2(CC2)C#N)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2ccsc2cc1-c1nn(CC(=O)N2CCC(CN3CCOCC3)CC2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2ccsc2cc1-c1nn(CC(=O)N2CCC(CC2)N2CCOCC2)cc1NC(=O)c1cnn2cccnc12
CCN1CCN(CC1)C(=O)Cn1cc(NC(=O)C(\C=N)=C2\NC=CC=N2)c(n1)-c1cc2ccccc2cc1OC(F)F |c:23,25|
FC(F)Oc1cc2ccccc2cc1-c1nn(CC(=O)C2CCN(CC2)C=O)cc1NC(=O)C(\C=N)=C1\NC=CC=N1 |c:42,44|
CN(C)C(=O)CN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2ccccc2cc1OC(F)F
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2ccccc2cc1OC(F)F
FC(F)Oc1cc2ccccc2cc1-c1nn(CC(=O)N2CCNCC2)cc1NC(=O)c1cnn2cccnc12
CN1CCC[C@@H]1Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCCNc2cc1OC(F)F |r|
CN1CCC[C@@H]1Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCC(=O)Nc2cc1OC(F)F |r|
CN1CCCC(C1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2cn[nH]c2cc1OC(F)F
CN1CCCC1Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2cn[nH]c2cc1OC(F)F
CN1CCC[C@H]1Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2cn[nH]c2cc1OC(F)F |r|
CN1CCC[C@@H]1Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2cn[nH]c2cc1OC(F)F |r|
FC(F)Oc1cc2NCCSc2cc1-c1nn(CCN[C@@H]2CCOC2)cc1NC(=O)c1cnn2cccnc12 |r|
CNCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCC(=O)Nc2cc1OC(F)F
CC1CNc2cc(OC(F)F)c(cc2S1)-c1nn(CCN)cc1NC(=O)c1cnn2cccnc12
CNCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCCNc2cc1OC(F)F
CN(C)CCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCCNc2cc1OC(F)F
CN(C)CCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCC(=O)Nc2cc1OC(F)F
FC(F)Oc1cc2NCCOc2cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1COC1
FC(F)Oc1cc2ccccc2cc1-c1nn(CCN2CCOCC2)cc1NC(=O)c1cnn2cccnc12
CN1CCC(Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc3ccccc3cc2OC(F)F)CC1
CCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2ccccc2cc1OC(F)F
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCCNc2cc1OC(F)F
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCCNc2cc1OC(F)F
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCC(=O)Nc2cc1OC(F)F
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2sc(cc2cc1OC(F)F)C(=O)N1CCNCC1
COC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2sc(cc2cc1OC(F)F)C(N)=O
CC1Sc2cc(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2NC1=O
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCCNc2cc1OC(F)F
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCCNc2cc1OC(F)F
CC1CNc2cc(OC(F)F)c(cc2S1)-c1nn(CC(=O)N2CCCCC2)cc1NC(=O)c1cnn2cccnc12
CC1CNc2cc(OC(F)F)c(cc2S1)-c1nn(CC(=O)N2CCC=CC2)cc1NC(=O)c1cnn2cccnc12 |c:26|
CC1CNc2cc(OC(F)F)c(cc2S1)-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12
CC1CSc2cc(-c3nn(CC(=O)N4CCCCC4)cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2N1
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCCc2cc1OC(F)F
CC1(C)CNc2cc(OC(F)F)c(cc2S1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
CC1CSc2cc(-c3nn(CC(=O)N4CCC=CC4)cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2N1 |c:16|
CC1CSc2cc(-c3nn(CC(=O)N(C)C)cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2N1
CC1(C)COc2cc(OC(F)F)c(cc2C1=O)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
CNC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCCNc2cc1OC(F)F
CNC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCCNc2cc1OC(F)F
C[C@@H]1CNc2cc(OC(F)F)c(cc2O1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12 |r|
CNC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCCSc2cc1OC(F)F
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCCSc2cc1OC(F)F
CC[C@@H](CO)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCCNc2cc1OC(F)F |r|
CC[C@H](CO)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCCNc2cc1OC(F)F |r|
FC(F)Oc1cc2NCCOc2cc1-c1nn(Cc2ncco2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2NCCSc2cc1-c1nn(Cc2ncco2)cc1NC(=O)c1cnn2cccnc12
CN1CCC(C1=O)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCCNc2cc1OC(F)F
Cn1nnnc1Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCCNc2cc1OC(F)F
Cn1nnc(Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc3SCCNc3cc2OC(F)F)n1
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2sncc2cc1OC(F)F
CCN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCCNc2cc1OC(F)F
Cn1cc(Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc3SCCNc3cc2OC(F)F)nn1
FC(F)Oc1cc2NCCOc2cc1-c1nn(CC(=O)N2CCC(F)(F)C2)cc1NC(=O)c1cnn2cccnc12
Cn1nncc1Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCCNc2cc1OC(F)F
OC1(Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc3OCCNc3cc2OC(F)F)CCOCC1
Cn1nnnc1Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCCNc2cc1OC(F)F
Cn1nnc(Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc3OCCNc3cc2OC(F)F)n1
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCC(=O)Nc2cc1OC(F)F
FC(F)Oc1cc2NCCOc2cc1-c1nn(CC(=O)N2CC(F)(F)C2)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2cnsc2cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1COC1
FC(F)Oc1cc2NCCSc2cc1-c1nn(CC#N)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2NCCSc2cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCOC1=O
CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2cnsc2cc1OC(F)F
FC(F)Oc1cc2NCCOc2cc1-c1nn(CC#N)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2NCCOc2cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCOC1=O
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCC3(COC3)Nc2cc1OC(F)F
C[C@H]1CNc2cc(OC(F)F)c(cc2O1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12 |r|
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OC(C)(C)CNc2cc1OC(F)F
FC(F)Oc1cc2OCCOc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2SCCOc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2cnsc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2sncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
CC(C)OC(=O)n1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2OCCNc2cc1OC(F)F
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC(CC)CC)c3n2)cn1
CCC(CC)Cn1ccc2cnc(Nc3cnn(CC(O)=O)c3)nc12
CCOC(=O)Cn1cc(Nc2ncc3ccn(Cc4ccsc4)c3n2)cn1
OC(=O)Cn1cc(Nc2ncc3ccn(Cc4ccsc4)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4CCCCC4)c3n2)cn1
OC(=O)Cn1cc(Nc2ncc3ccn(CC4CCCCC4)c3n2)cn1
CCOC(=O)CCn1cc(Nc2ncc3ccn(Cc4ccsc4)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4CCCC4)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CCC4CCCCC4)c3n2)cn1
OC(=O)CCn1cc(Nc2ncc3ccn(Cc4ccsc4)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC(C)(C)C)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CCC(C)C)c3n2)cn1
[#6]-[#6]-[#8]-[#6](=O)-[#6]-n1cc(-[#7]-c2ncc3ccn(-[#6]\[#6]=[#6](/[#6])-[#6])c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC#CC)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CCC#N)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4CC4)c3n2)cn1
CCOC(=O)c1ccc(Nc2ncc3ccn(CC(CC)CC)c3n2)cc1
CCOC(=O)C(C)(C)n1cc(Nc2ncc3ccn(CC(CC)CC)c3n2)cn1
CCOC(=O)C(C)n1cc(Nc2ncc3ccn(CC(CC)CC)c3n2)cn1
CCC(Cn1ccc2cnc(Nc3cnn(CC(O)=O)c3)nc12)C(C)C
CCOC(=O)CCn1cc(Nc2ncc3ccn(CC(CC)C(C)C)c3n2)cn1
CCC(Cn1ccc2cnc(Nc3cnn(CCC(O)=O)c3)nc12)C(C)C
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC45CC6CC(CC(C6)C4)C5)c3n2)cn1 |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:26:24:21:27.18.19,26:18:21:24.25.23|
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4CCCCC4(F)F)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4CCCC(F)(F)C4)c3n2)cn1
OC(=O)Cn1cc(Nc2ncc3ccn(CC4CCCCC4(F)F)c3n2)cn1
OC(=O)Cn1cc(Nc2ncc3ccn(CC4CCCC(F)(F)C4)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4CCC(F)(F)CC4)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4CC5CCC4C5)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4(C)CCCC4)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4CCCCC4C)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4CCCCCC4)c3n2)cn1
CCOC(=O)Cn1ccc(Nc2ncc3ccn(CC(CC)CC)c3n2)n1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4CCCC(C)C4)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4CCC(C)CC4)c3n2)cn1 |(8.31,4.13,;6.78,4.34,;5.84,3.12,;4.31,3.33,;3.73,4.76,;3.37,2.12,;1.83,2.28,;.8,1.13,;-.6,1.76,;-1.94,.99,;-3.27,1.76,;-3.27,3.3,;-4.6,4.07,;-5.94,3.3,;-7.4,3.78,;-8.31,2.53,;-7.4,1.28,;-7.88,-.18,;-6.85,-1.33,;-7.32,-2.79,;-6.29,-3.93,;-4.79,-3.61,;-3.76,-4.76,;-4.31,-2.15,;-5.34,-1.01,;-5.94,1.76,;-4.6,.99,;-.44,3.29,;1.06,3.61,)|
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4(C)CCCCC4)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(C[C@@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1 |r|
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC(CC)C(C)C)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC(C(C)C)C(C)C)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(C[C@H]4CC[C@H](O)CC4)c3n2)cn1 |r,wU:18.17,wD:21.21,(11.11,2.89,;9.58,3.1,;8.63,1.89,;7.11,2.1,;6.53,3.52,;6.16,.88,;4.63,1.04,;3.6,-.1,;2.2,.52,;.86,-.25,;-.47,.52,;-.47,2.06,;-1.81,2.83,;-3.14,2.06,;-4.6,2.54,;-5.51,1.29,;-4.6,.05,;-5.08,-1.42,;-6.59,-1.74,;-7.06,-3.2,;-8.57,-3.52,;-9.6,-2.38,;-11.11,-2.7,;-9.12,-.91,;-7.62,-.59,;-3.14,.52,;-1.81,-.25,;2.36,2.05,;3.86,2.37,)|
CCOC(=O)Cn1cc(Nc2ncc3ccn(C[C@@H]4CC[C@H](O)CC4)c3n2)cn1 |r,wD:18.17,21.21,(11.11,2.89,;9.58,3.1,;8.63,1.89,;7.11,2.1,;6.53,3.52,;6.16,.88,;4.63,1.04,;3.6,-.1,;2.2,.52,;.86,-.25,;-.47,.52,;-.47,2.06,;-1.81,2.83,;-3.14,2.06,;-4.6,2.54,;-5.51,1.29,;-4.6,.05,;-5.08,-1.42,;-6.59,-1.74,;-7.06,-3.2,;-8.57,-3.52,;-9.6,-2.38,;-11.11,-2.7,;-9.12,-.91,;-7.62,-.59,;-3.14,.52,;-1.81,-.25,;2.36,2.05,;3.86,2.37,)|
CCOC(=O)Cn1cc(Nc2ncc3ccn(Cc4csc(C)n4)c3n2)cn1
CCOC(=O)c1nc(Cn2ccc3cnc(Nc4cnn(C)c4)nc23)cs1
CCOC(=O)Cn1ccc2cnc(Nc3cnn(C)c3)nc12
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC(CC)CO)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC(CC)CC#N)c3n2)cn1
CC[C@H](Cn1ccc2cnc(Nc3cnn(c3)C3CCOC3=O)nc12)C(C)C |r|
CC[C@H](Cn1ccc2cnc(Nc3cnn(c3)[C@@H]3CCOC3=O)nc12)C(C)C |r|
CC[C@H](Cn1ccc2cnc(Nc3cnn(c3)[C@H]3CCOC3=O)nc12)C(C)C |r|
CCC(Cn1ccc2cnc(Nc3cnn(CC(=O)OC(C)C)c3)nc12)C(C)C
CCCCOC(=O)Cn1cc(Nc2ncc3ccn(CC(CC)C(C)C)c3n2)cn1
CCC(Cn1ccc2cnc(Nc3cnn(CC(=O)OCCO)c3)nc12)C(C)C
CCOCCOC(=O)Cn1cc(Nc2ncc3ccn(CC(CC)C(C)C)c3n2)cn1
CC(C)C(Cn1ccc2cnc(Nc3cnn(CC(O)=O)c3)nc12)C(C)C
CC(C)C(Cn1ccc2cnc(Nc3cnn(CC(=O)OCCO)c3)nc12)C(C)C
CCC(CC)Cn1ccc2cnc(Nc3cnn(CC(=O)OCCC#N)c3)nc12
CCC(CC)Cn1ccc2cnc(Nc3cnn(CC(=O)OCCO)c3)nc12
CCC(CC)Cn1ccc2cnc(Nc3cnn(CC(=O)OC4CC(C4)C#N)c3)nc12 |(-10.97,-2.78,;-9.46,-2.46,;-8.43,-3.6,;-8.9,-5.07,;-10.41,-5.39,;-6.92,-3.28,;-6.45,-1.82,;-7.35,-.57,;-6.45,.67,;-4.98,.2,;-3.65,.97,;-2.31,.2,;-2.31,-1.34,;-.98,-2.11,;.35,-1.34,;.51,.19,;2.02,.51,;2.79,-.82,;4.32,-.98,;5.27,.23,;4.69,1.66,;6.79,.02,;7.74,1.24,;9.27,1.43,;9.09,2.97,;7.55,2.76,;10.03,4.19,;10.98,5.41,;1.76,-1.97,;-3.65,-2.11,;-4.98,-1.34,)|
CCC(Cn1ccc2cnc(Nc3cnn(CC(=O)OCCC#N)c3)nc12)C(C)C
CCC(CC)Cn1ccc2cnc(Nc3cnn(CC(=O)OC(C)C)c3)nc12
CC(C)OC(=O)Cn1cc(Nc2ncc3ccn(CC(C(C)C)C(C)C)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(Cc4cccc(NC(=O)C=C)c4)c3n2)cn1
CC(C)OC(=O)Cn1cc(Nc2ncc3ccn(C[C@@H](CCN(C)C)C(C)C)c3n2)cn1 |r|
CC(C)OC(=O)Cn1cc(Nc2ncc3ccn(C[C@@H](CCO)C(C)C)c3n2)cn1 |r|
CC(C)OC(=O)Cn1cc(Nc2ncc3ccn(C[C@@H](CCCl)C(C)C)c3n2)cn1 |r|
CC(C)OC(=O)Cn1cc(Nc2ncc3ccn(C[C@@H](CCF)C(C)C)c3n2)cn1 |r|
CCC[C@H](Cn1ccc2cnc(Nc3cnn(CC(=O)OC(C)C)c3)nc12)C(C)C |r|
CCC(Cn1ccc2cnc(Nc3cnn(CC(=O)OC(C)C)c3)nc12)CC(F)(F)F
CC(C)OC(=O)Cn1cc(Nc2ncc3ccn(C[C@@H](CC=C)C(C)C)c3n2)cn1 |r|
CCC(CC)Cn1ccc2cnc(Nc3cnn(CC(=O)OCCN(C)C)c3)nc12
CC[C@H](Cn1ccc2cnc(Nc3cnn(CC(O)=O)c3)nc12)C(C)C |r|
CCC(Cn1ccc2cnc(Nc3cnn(CC(=O)O[C@@H](C)CO)c3)nc12)C(C)C |r|
CCC(Cn1ccc2cnc(Nc3cnn(CC(=O)O[C@H](C)CO)c3)nc12)C(C)C |r|
CCC(C)OC(=O)Cn1cc(Nc2ncc3ccn(CC(CC)C(C)C)c3n2)cn1
CCC(Cn1ccc2cnc(Nc3cnn(CC(=O)OCC(C)C)c3)nc12)C(C)C
CCC(Cn1ccc2cnc(Nc3cnn(CC(=O)OC(C)C(C)O)c3)nc12)C(C)C
CCC(Cn1ccc2cnc(Nc3cnn(CC(=O)OC[C@@H](C)O)c3)nc12)C(C)C |r|
CCC(Cn1ccc2cnc(Nc3cnn(CC(=O)OCC(O)CO)c3)nc12)C(C)C
CCC(Cn1ccc2cnc(Nc3cnn(CC(=O)OC[C@H](C)O)c3)nc12)C(C)C |r|
CCC(CC)Cn1ccc2cnc(Nc3cnn(CC(=O)OC(C)C(C)O)c3)nc12
CC[C@@H](Cn1ccc2cnc(Nc3cnn(c3)C(C)C(O)=O)nc12)C(C)C |r|
CC[C@H](Cn1ccc2cnc(Nc3cnn(CCC(O)=O)c3)nc12)C(C)C |r|
CC(C(O)=O)n1cc(Nc2ncc3ccn(C[C@H]4CC[C@H](O)CC4)c3n2)cn1 |r,wU:17.16,wD:20.20,(8.48,2.46,;7.57,1.22,;8.17,-.19,;9.7,-.38,;7.25,-1.42,;6.04,1.39,;5.01,.24,;3.6,.87,;2.27,.1,;.93,.87,;.93,2.41,;-.4,3.18,;-1.73,2.41,;-3.2,2.88,;-4.1,1.64,;-3.2,.39,;-3.68,-1.07,;-5.18,-1.39,;-5.66,-2.86,;-7.16,-3.18,;-8.19,-2.03,;-9.7,-2.35,;-7.72,-.57,;-6.21,-.25,;-1.73,.87,;-.4,.1,;3.76,2.4,;5.27,2.72,)|
O[C@H]1CC[C@H](Cn2ccc3cnc(Nc4cnn(CCC(O)=O)c4)nc23)CC1 |r,wU:1.0,wD:4.4,(-10.32,-2.53,;-8.81,-2.21,;-8.33,-.74,;-6.83,-.42,;-5.8,-1.57,;-4.29,-1.25,;-3.81,.22,;-4.72,1.46,;-3.81,2.71,;-2.35,2.23,;-1.02,3,;.32,2.23,;.32,.69,;1.65,-.08,;2.99,.69,;3.15,2.22,;4.65,2.54,;5.42,1.21,;6.95,1.05,;7.87,2.29,;9.4,2.11,;10.32,3.35,;10.01,.7,;4.39,.07,;-1.02,-.08,;-2.35,.69,;-6.27,-3.03,;-7.78,-3.35,)|
CCOC(=O)C(C)n1cc(Nc2ncc3ccn(C[C@@H](CC)C(C)C)c3n2)cn1 |r|
CCOC(=O)CCn1cc(Nc2ncc3ccn(C[C@@H](CC)C(C)C)c3n2)cn1 |r|
CCOC(=O)C(C)n1cc(Nc2ncc3ccn(C[C@H]4CC[C@H](O)CC4)c3n2)cn1 |r,wU:19.18,wD:22.22,(11.08,3.01,;9.55,3.18,;8.63,1.94,;7.1,2.11,;6.49,3.53,;6.19,.88,;6.81,-.53,;4.66,1.04,;3.63,-.11,;2.22,.52,;.89,-.25,;-.45,.52,;-.45,2.06,;-1.78,2.83,;-3.11,2.06,;-4.58,2.53,;-5.48,1.29,;-4.58,.04,;-5.05,-1.42,;-6.56,-1.74,;-7.04,-3.21,;-8.54,-3.53,;-9.57,-2.38,;-11.08,-2.7,;-9.1,-.92,;-7.59,-.6,;-3.11,.52,;-1.78,-.25,;2.38,2.05,;3.89,2.37,)|
CCOC(=O)CCn1cc(Nc2ncc3ccn(C[C@H]4CC[C@H](O)CC4)c3n2)cn1 |r,wU:19.18,wD:22.22,(11.56,3.87,;10.6,2.66,;9.07,2.83,;8.16,1.6,;8.77,.18,;6.63,1.77,;5.71,.53,;4.18,.69,;3.15,-.45,;1.74,.17,;.41,-.6,;-.92,.17,;-.92,1.71,;-2.26,2.48,;-3.59,1.71,;-5.05,2.19,;-5.96,.94,;-5.05,-.3,;-5.53,-1.77,;-7.04,-2.09,;-7.51,-3.55,;-9.02,-3.87,;-10.05,-2.73,;-11.56,-3.05,;-9.57,-1.26,;-8.07,-.94,;-3.59,.17,;-2.26,-.6,;1.91,1.71,;3.41,2.03,)|
CC(C)OC(=O)Cn1cc(Nc2ncc3ccn(C[C@H]4CC[C@H](O)CC4)c3n2)cn1 |r,wU:19.18,wD:22.22,(11.08,2.47,;9.55,2.65,;8.94,4.06,;8.63,1.41,;7.1,1.58,;6.49,2.99,;6.19,.34,;4.66,.5,;3.63,-.64,;2.22,-.01,;.89,-.78,;-.45,-.01,;-.45,1.53,;-1.78,2.3,;-3.11,1.53,;-4.58,2,;-5.48,.76,;-4.58,-.49,;-5.05,-1.95,;-6.56,-2.27,;-7.04,-3.74,;-8.54,-4.06,;-9.57,-2.91,;-11.08,-3.23,;-9.1,-1.45,;-7.59,-1.13,;-3.11,-.01,;-1.78,-.78,;2.38,1.52,;3.89,1.84,)|
CCOC(=O)Cn1cc(Nc2ncc3ccn(C[C@H]4CC[C@@H](CC4)NC)c3n2)cn1 |r,wU:21.24,wD:18.17,(11.62,3.01,;10.09,3.18,;9.17,1.94,;7.64,2.11,;7.03,3.53,;6.73,.88,;5.19,1.04,;4.16,-.11,;2.76,.52,;1.42,-.25,;.09,.52,;.09,2.06,;-1.24,2.83,;-2.58,2.06,;-4.04,2.53,;-4.95,1.29,;-4.04,.04,;-4.52,-1.42,;-6.02,-1.74,;-7.05,-.6,;-8.56,-.92,;-9.04,-2.38,;-8.01,-3.53,;-6.5,-3.21,;-10.54,-2.7,;-11.62,-1.61,;-2.58,.52,;-1.24,-.25,;2.92,2.05,;4.42,2.37,)|
CCOC(=O)Cn1cc(Nc2ncc3ccn(C[C@H]4CC[C@@H](CC4)NC(=O)C=C)c3n2)cn1 |r,wU:18.17,wD:21.24,(12.31,4.22,;10.78,4.39,;9.86,3.15,;8.33,3.33,;7.72,4.74,;7.42,2.09,;5.89,2.25,;4.86,1.11,;3.45,1.73,;2.12,.96,;.78,1.73,;.78,3.27,;-.55,4.04,;-1.89,3.27,;-3.35,3.75,;-4.26,2.5,;-3.35,1.26,;-3.83,-.21,;-5.33,-.53,;-5.81,-1.99,;-7.31,-2.31,;-8.34,-1.17,;-7.87,.3,;-6.36,.62,;-9.85,-1.49,;-10.33,-2.95,;-9.3,-4.1,;-11.83,-3.27,;-12.31,-4.74,;-1.89,1.73,;-.55,.96,;3.61,3.26,;5.12,3.58,)|
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4CCS(=O)(=O)CC4)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(CC4CCSCC4)c3n2)cn1
CCOC(=O)Cn1cc(Nc2ncc3ccn(C[C@H]4CC[C@H](N)CC4)c3n2)cn1 |r,wU:21.21,wD:18.17,(11.08,3.01,;9.55,3.18,;8.63,1.94,;7.1,2.11,;6.49,3.53,;6.19,.88,;4.66,1.04,;3.63,-.11,;2.22,.52,;.89,-.25,;-.45,.52,;-.45,2.06,;-1.78,2.83,;-3.11,2.06,;-4.58,2.53,;-5.48,1.29,;-4.58,.04,;-5.05,-1.42,;-6.56,-1.74,;-7.59,-.6,;-9.1,-.92,;-9.57,-2.38,;-11.08,-2.7,;-8.54,-3.53,;-7.04,-3.21,;-3.11,.52,;-1.78,-.25,;2.38,2.05,;3.89,2.37,)|
CCOC(=O)Cn1cc(Nc2ncc3ccn(C[C@H]4CC[C@H](CC4)OC)c3n2)cn1 |r,wU:18.17,21.24,(11.32,3.33,;9.79,3.5,;8.87,2.26,;7.34,2.43,;6.73,3.85,;6.43,1.2,;4.9,1.36,;3.87,.21,;2.46,.84,;1.12,.07,;-.21,.84,;-.21,2.38,;-1.54,3.15,;-2.88,2.38,;-4.34,2.86,;-5.25,1.61,;-4.34,.36,;-4.82,-1.1,;-6.32,-1.42,;-6.8,-2.89,;-8.31,-3.21,;-9.34,-2.06,;-8.86,-.6,;-7.35,-.28,;-10.84,-2.38,;-11.32,-3.85,;-2.88,.84,;-1.54,.07,;2.62,2.37,;4.13,2.69,)|
CCOC(=O)Cn1cc(Nc2ncc3ccn(C[C@H]4CC[C@@H](CC4)OC)c3n2)cn1 |r,wU:18.17,wD:21.24,(11.32,3.33,;9.79,3.5,;8.87,2.26,;7.34,2.43,;6.73,3.85,;6.43,1.2,;4.9,1.36,;3.87,.21,;2.46,.84,;1.12,.07,;-.21,.84,;-.21,2.38,;-1.54,3.15,;-2.88,2.38,;-4.34,2.86,;-5.25,1.61,;-4.34,.36,;-4.82,-1.1,;-6.32,-1.42,;-6.8,-2.89,;-8.31,-3.21,;-9.34,-2.06,;-8.86,-.6,;-7.35,-.28,;-10.84,-2.38,;-11.32,-3.85,;-2.88,.84,;-1.54,.07,;2.62,2.37,;4.13,2.69,)|
CCOC(=O)Cn1cc(Nc2ncc3ccn(C[C@H]4CCC[C@H](C4)OC)c3n2)cn1 |r|
CCOC(=O)Cn1cc(Nc2ncc3ccn(C[C@@H]4CCC[C@H](C4)OC)c3n2)cn1 |r|
CC[C@@H](Cn1ccc2cnc(Nc3cnn(CC(=O)OC(C)C)c3)nc12)C(C)C |r|
CCOC(=O)Cn1cc(Nc2ncc3ccn(C[C@H](CC)C(C)C)c3n2)cn1 |r|
CC[C@H](Cn1ccc2cnc(Nc3cnn(CC(=O)OC(C)C)c3)nc12)C(C)C |r|
CCOC(=O)Cn1cc(Nc2ncc3ccn(C[C@@H](CC)C(C)C)c3n2)cn1 |r|
CC[C@H](Cn1ccc2cnc(Nc3cnn(c3)C(CCO)C(O)=O)nc12)C(C)C |r|
CCC(Cn1ccc2cnc(Nc3cnn(c3)C(=O)OC(C)(C)C)nc12)C(C)C
CC[C@H](Cn1ccc2cnc(Nc3cnn(CC(=O)O[C@H]4CCN(C)C4)c3)nc12)C(C)C |r|
CC[C@H](Cn1ccc2cnc(Nc3cnn(CC(=O)O[C@@H]4CCN(C)C4)c3)nc12)C(C)C |r|
CC[C@H](Cn1ccc2cnc(Nc3cnn(CC(=O)OC4COC4)c3)nc12)C(C)C |r|
CC[C@H](Cn1ccc2cnc(Nc3cnn(CC(=O)OCC4COC4)c3)nc12)C(C)C |r|
CCC(CC)Cn1ccc2cnc(Nc3cnn(c3)C3CCOC3=O)nc12
CC[C@H](Cn1ccc2cnc(Nc3cnn(c3)[C@@H](CCO)C(O)=O)nc12)C(C)C |r|
CC[C@H](Cn1ccc2cnc(Nc3cnn(c3)C3CC(C)(C)OC3=O)nc12)C(C)C |r|
CCC(CC)Cn1ccc2cnc(Nc3cnn(CC(=O)OCC4OC(O)CC(O)C4O)c3)nc12
CN1CC[C@H](C1)OC(=O)Cn1cc(Nc2ncc3ccn(C[C@H]4CC[C@H](O)CC4)c3n2)cn1 |r,wU:22.22,4.6,wD:25.26,(7.3,6.51,;7.3,4.97,;8.55,4.07,;8.07,2.6,;6.53,2.6,;6.06,4.07,;5.59,1.38,;4.07,1.58,;3.48,3.01,;3.13,.36,;1.59,.53,;.56,-.62,;-.84,.01,;-2.18,-.76,;-3.51,.01,;-3.51,1.55,;-4.84,2.32,;-6.18,1.55,;-7.64,2.02,;-8.55,.78,;-7.64,-.47,;-8.12,-1.93,;-7.09,-3.08,;-5.58,-2.76,;-4.55,-3.9,;-5.03,-5.37,;-4,-6.51,;-6.53,-5.69,;-7.56,-4.54,;-6.18,.01,;-4.84,-.76,;-.68,1.54,;.82,1.86,)|
CC[C@H](Cn1ccc2cnc(Nc3cnn(c3)C(CC(C)(C)O)C(O)=O)nc12)C(C)C |r|
O=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(=O)C3CC3)C4)n2n1)C1CC1
N#CC1CC1C(=O)N1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1
FC1(CC1)C(=O)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12
FC(F)(F)CC(=O)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(C3CCC4(CN(C4)C(=O)C4(CC4)C#N)CC3)n2n1)C1CC1
FC1(F)C[C@@H]1C(=O)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|
FC1(F)C[C@H]1C(=O)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|
FC(F)CC(=O)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12
CC(C)(C#N)CC(=O)N1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1
O=C(Nc1nc2cccc(C3CCC4(CN(CC#N)C4)CC3)n2n1)C1CC1
O=C(Nc1nc2cccc(C3CCC4(CN(CCC#N)C4)CC3)n2n1)C1CC1
O=C(Nc1nc2cccc(C3CCC4CCN(C(=O)[C@@H]5CC5(F)F)CCC4C3)n2n1)C1CC1
N#CCC(=O)N1CCC2CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2CC1
O=C(Nc1nc2cccc(C3CCC4CCN(C(=O)CC(F)(F)F)CCC4C3)n2n1)C1CC1
FC1(CCC2(CN(C2)C(=O)CC#N)CC1)c1cccc2nc(NC(=O)C3CC3)nn12
FC(F)(F)CC(=O)N1CC2(C1)CCC(F)(CC2)c1cccc2nc(NC(=O)C3CC3)nn12
FC(F)CC(=O)N1CC2(C1)CCC(F)(CC2)c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)C3CC3(F)F)C4)n2n1)C1CC1
O=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)C3CC3(F)F)C4)n2n1)C1CC1
O=C(CC#N)N1CC[C@@]2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wD:8.8,(3.05,14.56,;3.68,13.16,;5.21,13,;6.11,14.24,;7.02,15.49,;2.77,11.91,;1.23,11.91,;.76,10.45,;2,9.54,;3.25,10.45,;3.34,8.77,;3.34,7.23,;2,6.46,;.67,7.23,;.67,8.77,;2,4.92,;3.34,4.15,;3.34,2.61,;2,1.84,;.67,2.61,;-.8,2.13,;-1.7,3.38,;-3.24,3.38,;-4.01,2.05,;-3.24,.71,;-5.55,2.05,;-6.89,2.82,;-6.89,1.28,;-.8,4.63,;.67,4.15,)|
FC(F)(F)CC(=O)N1CCC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12
FC1(F)C[C@H]1C(=O)N1CCC2(CC[C@@H](C2)c2cccc3nc(NC(=O)C4CC4)nn23)CC1 |r|
FC1(F)C[C@H]1C(=O)N1CCC2(CC[C@H](C2)c2cccc3nc(NC(=O)C4CC4)nn23)CC1 |r|
FC1(F)C[C@H]1C(=O)N1CC2(C1)CC[C@@H](C2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|
FC1(F)C[C@H]1C(=O)N1CC2(C1)CC[C@H](C2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|
O=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(=O)[C@H]3CC3(F)F)C4)n2n1)[C@H]1CC1(F)F
FC1(F)C[C@@H]1C(=O)Nc1nc2cccc(C3CCC4(CN(C4)C(=O)C4(F)CC4)CC3)n2n1 |r|
FC1(F)C[C@@H]1C(=O)Nc1nc2cccc(C3CCC4(CN(C4)C(=O)CC#N)CC3)n2n1 |r|
FC1(F)C[C@@H]1C(=O)Nc1nc2cccc(C3CCC4(CN(CC#N)C4)CC3)n2n1 |r|
O=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(=O)[C@H]3CC3(F)F)C4)n2n1)[C@@H]1CC1(F)F
FC1(F)C[C@H]1C(=O)Nc1nc2cccc(C3CCC4(CN(C4)C(=O)C4(F)CC4)CC3)n2n1 |r|
N#CCC(=O)N1CC2(CCC(c3cccc4nc(NC(=O)[C@@H]5CC5(F)F)nn34)CC2)C1
FC1(F)C[C@H]1C(=O)Nc1nc2cccc(C3CCC4(CN(CC#N)C4)CC3)n2n1 |r|
N#CCC(=O)N1CCC2CCC(c3c(F)ccc4nc(NC(=O)C5CC5)nn34)CC2CC1
FC(F)(F)CN1CC(CC#N)(C1)n1cc(cn1)-c1nc(cc2ncccc12)-c1cn[nH]c1
N#CCC1CC(CC#N)(C1)n1cc(cn1)-c1nc(cc2ncccc12)-c1cn[nH]c1
N#CCC1CC(CC#N)(C1)n1cc(cn1)-c1nc(cc2ncccc12)-c1cn[nH]c1
Cn1cc(cn1)-c1cc2ncccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC(F)(F)F)C1
OCCn1cc(cn1)-c1cc2ncccc2c(n1)-c1cnn(c1)C1(CC#N)CC(C1)C#N |(-6.13,-1.87,;-4.6,-2.03,;-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,)|
COC1CC(CC#N)(C1)n1cc(cn1)-c1nc(cc2ncccc12)-c1cnn(CCO)c1
COC1CC(CC#N)(C1)n1cc(cn1)-c1nc(cc2ncccc12)-c1cnn(CCO)c1
FC(F)(F)CN1CC(CC#N)(C1)n1cc(cn1)-c1nc(cc2ncccc12)-c1cnn(c1)C1CCOCC1
COC1CC(CC#N)(C1)n1cc(cn1)-c1nc(cc2ncccc12)-c1cc(CO)n[nH]1
COC1CC(CC#N)(C1)n1cc(cn1)-c1nc(cc2ncccc12)-c1cc(CO)n[nH]1
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(Cl)cc2ncccc12
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nccc2ncccc12
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc[nH]n1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccn[nH]1
O=S(=O)(C1CC1)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccn[nH]1
O=S(=O)(C1COC1)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccn[nH]1
N#CCC1(CC(C1)C#N)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccn[nH]1 |(8.4,5.5,;7,4.88,;5.59,4.25,;4.34,5.16,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,)|
N#CCC1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccn[nH]1 |(-.82,10.77,;.38,9.8,;1.57,8.83,;1.33,7.31,;.09,6.4,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;2.24,6.06,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,)|
NC(=O)C1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc[nH]n1 |(2.32,9.38,;3.76,8.83,;4.96,9.8,;4,7.31,;3.1,6.06,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;5.25,6.4,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,)|
CNC(=O)C1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc[nH]n1 |(4.72,11.32,;4.96,9.8,;3.76,8.83,;2.32,9.38,;4,7.31,;3.1,6.06,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;5.25,6.4,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,)|
OCC1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccn[nH]1 |(7.98,8.11,;7.78,6.58,;6.35,5.99,;5.77,4.57,;4.34,5.16,;2.82,5.4,;2.27,6.83,;1.72,8.27,;4.93,6.58,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,)|
COC1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccn[nH]1 |(7.98,8.11,;7.78,6.58,;6.35,5.99,;5.77,4.57,;4.34,5.16,;2.82,5.4,;2.27,6.83,;1.72,8.27,;4.93,6.58,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,)|
CC(=O)NC1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc[nH]n1 |(4.72,11.32,;4.96,9.8,;6.4,9.25,;3.76,8.83,;4,7.31,;3.1,6.06,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;5.25,6.4,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,)|
CN(C1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc[nH]n1)C(C)=O |(2.32,9.38,;3.76,8.83,;4,7.31,;3.1,6.06,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;5.25,6.4,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;4.96,9.8,;4.72,11.32,;6.4,9.25,)|
CC1(CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc[nH]n1)C#N |(4.59,8.73,;4,7.31,;3.1,6.06,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;5.25,6.4,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;3,8.48,;2,9.65,)|
N#CCC1(CC2(COC2)C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc[nH]n1
CC(=O)N1CC2(C1)CC(CC#N)(C2)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc[nH]n1
CC(C)(O)C1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc[nH]n1 |(7.19,8,;7.78,6.58,;8.37,5.16,;9.2,7.17,;6.35,5.99,;5.77,4.57,;4.34,5.16,;2.82,5.4,;2.27,6.83,;1.72,8.27,;4.93,6.58,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,)|
Nc1cc(n[nH]1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
Cc1cc(n[nH]1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
Cc1cc(n[nH]1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
Cc1cc(n[nH]1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C)(C1)C#N |(-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;4.59,8.73,;5.25,6.4,;3,8.48,;2,9.65,)|
CCN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc(CO)[nH]n1
OCc1cc(n[nH]1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-4.87,-4.68,;-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
COC1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc(CO)n[nH]1 |(.38,9.8,;1.57,8.83,;1.33,7.31,;.09,6.4,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;2.24,6.06,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.29,-6.34,;-3.83,-6.5,;-2.44,-3.6,;-1.41,-2.45,)|
COC1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc(N)[nH]n1 |(.38,9.8,;1.57,8.83,;1.33,7.31,;.09,6.4,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;2.24,6.06,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-3.97,-3.44,;-1.67,-4.93,;-.16,-4.61,)|
Cn1nccc1-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
Cn1ccc(n1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccn(n1)C1COC1
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccn(n1)C1COC1
Cc1cc(nn1C)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.29,-6.34,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
Cn1nc(CO)cc1-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-1.73,-.95,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-2.29,-6.34,;-1.39,-7.58,;-.16,-4.61,;,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
Cn1nc(cc1CO)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-2.29,-6.34,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-3.97,-3.44,;-4.87,-4.68,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
CCN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc(N)n(C)n1
Cn1nc(cc1N)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-2.29,-6.34,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-3.97,-3.44,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
Cn1nc(cc1N)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C)(C1)C#N |(-2.29,-6.34,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-3.97,-3.44,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.33,8.48,;2.24,6.06,;.74,8.73,;.15,10.15,)|
CNc1cc(nn1C)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-4.87,-4.68,;-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.29,-6.34,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
Cn1nc(cc1CN)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-2.29,-6.34,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-3.97,-3.44,;-4.87,-4.68,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
N#CCC1(CC(C1)C#N)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc2CNCCn2n1 |(-6.41,-6.97,;-4.88,-7.13,;-3.35,-7.29,;-2.72,-8.7,;-2.09,-10.1,;-3.5,-10.73,;-4.13,-9.32,;-4.05,-12.17,;-4.6,-13.6,;-1.31,-8.07,;.02,-8.84,;1.17,-7.81,;.54,-6.4,;-.99,-6.56,;1.31,-5.07,;2.85,-5.07,;3.62,-3.74,;2.85,-2.4,;1.31,-2.4,;.54,-1.07,;-1,-1.07,;-1.77,-2.4,;-1,-3.74,;.54,-3.74,;5.16,-3.74,;6.06,-2.49,;7.53,-2.97,;8.86,-2.2,;10.2,-2.97,;10.2,-4.51,;8.86,-5.28,;7.53,-4.51,;6.06,-4.98,)|
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cn[nH]c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cn[nH]c1
N#CCC1(CC(C1)C#N)n1ccc(n1)-c1nc(cc2ncccc12)-c1cn[nH]c1 |(8.4,5.5,;7,4.88,;5.59,4.25,;4.34,5.16,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,)|
N#CCC1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cn[nH]c1 |(-.82,10.77,;.38,9.8,;1.57,8.83,;1.33,7.31,;.09,6.4,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;2.24,6.06,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,)|
COC1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cn[nH]c1 |(7.98,8.11,;7.78,6.58,;6.35,5.99,;5.77,4.57,;4.34,5.16,;2.82,5.4,;2.27,6.83,;1.72,8.27,;4.93,6.58,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,)|
CC(C)(O)C1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cn[nH]c1 |(7.19,8,;7.78,6.58,;8.37,5.16,;9.2,7.17,;6.35,5.99,;5.77,4.57,;4.34,5.16,;2.82,5.4,;2.27,6.83,;1.72,8.27,;4.93,6.58,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,)|
CC1(CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cn[nH]c1)C#N |(4.59,8.73,;4,7.31,;3.1,6.06,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;5.25,6.4,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,;3,8.48,;2,9.65,)|
N#CCC1(CC(C1)c1ccn[nH]1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cn[nH]c1 |(1.72,8.27,;2.27,6.83,;2.82,5.4,;4.34,5.16,;5.77,4.57,;6.35,5.99,;4.93,6.58,;7.78,6.58,;9.09,5.77,;10.26,6.77,;9.67,8.2,;8.14,8.08,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,)|
Cn1nccc1C1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cn[nH]c1 |(7.14,9.25,;8.14,8.08,;9.67,8.2,;10.26,6.77,;9.09,5.77,;7.78,6.58,;6.35,5.99,;5.77,4.57,;4.34,5.16,;2.82,5.4,;2.27,6.83,;1.72,8.27,;4.93,6.58,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,)|
Cc1n[nH]cc1-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
Cc1n[nH]cc1-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(.98,-5.64,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
OCc1[nH]ncc1-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-3.19,-.47,;-1.73,-.95,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1c[nH]nc1N
CCN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1c[nH]nc1N
COC1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1c[nH]nc1N |(.38,9.8,;1.57,8.83,;1.33,7.31,;.09,6.4,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;2.24,6.06,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;.98,-5.64,)|
Nc1n[nH]cc1-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(.98,-5.64,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
Cn1cc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
Cn1cc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC#N)C1
Cn1cc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC2CC2)C1
Cn1cc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
Cn1cc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
CCS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(C)c1
CCCS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(=O)(=O)C1CC1
Cn1cc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(N)(=O)=O
CNS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(C)c1
COC1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(C)c1 |(7.98,8.11,;7.78,6.58,;6.35,5.99,;5.77,4.57,;4.34,5.16,;2.82,5.4,;2.27,6.83,;1.72,8.27,;4.93,6.58,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-3.97,-3.44,;-1.41,-2.45,)|
CCn1cc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
CCn1cc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-4.87,-4.68,;-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
CN(C)CCn1cc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-7.31,-5.77,;-6.41,-4.52,;-7.03,-3.12,;-4.87,-4.68,;-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(c1)C1CNC1
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(c1)C1CCNCC1
CN1CCC(CC1)n1cc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(c1)C(F)(F)F
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(c1)C1COC1
N#CCN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(c1)C1COC1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(c1)C1COC1
COC1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(c1)C1COC1 |(7.98,8.11,;7.78,6.58,;6.35,5.99,;5.77,4.57,;4.34,5.16,;2.82,5.4,;2.27,6.83,;1.72,8.27,;4.93,6.58,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,;-3.97,-3.44,;-5.17,-4.41,;-6.13,-3.21,;-4.94,-2.24,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(c1)[C@H]1CCOC1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(c1)[C@@H]1CCOC1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(CCO)c1
OCCn1cc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-6.13,-1.87,;-4.6,-2.03,;-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
COC1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(CCO)c1 |(.38,9.8,;1.57,8.83,;1.33,7.31,;.09,6.4,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;2.24,6.06,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-2.29,-6.34,;-3.83,-6.5,;-4.45,-7.91,;-.16,-4.61,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(c1)C(CO)CCl
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(c1)C(=C)CO
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(CC2COC2)c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(CC2(O)COC2)c1
Cn1ncc(c1C(N)=O)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
Cn1cc(c(CO)n1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;.98,-5.64,;.66,-7.15,;-1.67,-4.93,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
Cn1ncc(c1CO)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-3.97,-3.44,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-1.73,-.95,;-3.19,-.47,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
Cn1ncc(c1N)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
Cn1cc(c(N)n1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
Cn1cc(c(N)n1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;.98,-5.64,;-1.67,-4.93,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
Cn1ncc(c1N)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-3.97,-3.44,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-1.73,-.95,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
Cc1ccn(n1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cn(cn1)C1COC1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnco1
OCc1cc(on1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-1.39,-7.58,;-2.29,-6.34,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
Cc1onc(N)c1-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ncc[nH]1
Cn1cnc(c1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
Cc1nc(c[nH]1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
Cc1nc(cn1C)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
Cc1ncc(-c2cc3ncccc3c(n2)-c2ccn(n2)C2(CC#N)CN(CC(F)(F)F)C2)n1C
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cn[nH]n1
Cn1ncc(n1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn(n1)C1CCCCO1
OCc1csc(n1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-4.87,-4.68,;-3.97,-3.44,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1c[nH]c2nccc2c1
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnc2cc[nH]c2c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1c[nH]c2ncccc12
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1c[nH]c2cccnc12
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn2ccccc12
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccc2nccn2c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccn2ccnc2c1
Cn1cnc2cc(cnc12)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnc2nccn2c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnc2cn[nH]c2c1
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccc2nncn2c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnn2cccnc12
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnc2[nH]c(=O)[nH]c2c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnc2NCCNc2c1
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cccnc1
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccncc1
Cc1cncc(c1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
Cc1cc(ccn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
Cc1ccc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
Cc1cc(ccn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
Cc1ccc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
Fc1cncc(c1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
Fc1cnccc1-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cccc(O)n1
Oc1cccc(n1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-1.33,-6.93,;-1.33,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
Oc1ccc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
CCN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccc(O)nc1
Oc1ccc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)C1CC(F)(F)C1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccnc(O)c1
COc1ncccc1-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
COc1ccc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
COc1cc(ccn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
Nc1ccc(nc1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-4,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cccnc1N
Nc1ccc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cncc(N)c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccc(N)nc1
Nc1ccc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-4,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
Nc1cc(ccn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
Nc1cc(ccn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
CC1(CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccnc(N)c1)C#N |(2.33,8.48,;1.33,7.31,;.09,6.4,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;2.24,6.06,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-1.33,-6.93,;,-4.62,;.74,8.73,;.15,10.15,)|
CCOC(=O)Nc1cncc(c1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
CN(C)c1ccc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
CS(=O)(=O)Nc1cncc(c1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
CS(=O)(=O)Nc1ccc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccc(nc1)S(C)(=O)=O
CS(=O)(=O)c1ccc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-3.23,-6.72,;-4,-5.39,;-5.33,-6.16,;-4.77,-4.06,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccc(nc1)S(N)(=O)=O
NS(=O)(=O)c1ccc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-3.23,-6.72,;-4,-5.39,;-5.33,-6.16,;-4.77,-4.06,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.04,3.78,;6.58,3.7,;8.12,3.62,;5.51,6.16,;4.51,7.33,;3.34,6.33,;4.63,8.86,;4.76,10.4,)|
OCc1cccc(n1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(,-7.7,;-1.33,-6.93,;-1.33,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
OCc1cc(ccn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,)|
NC(=O)c1cccc(n1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-4,-.77,;-4,-2.31,;-5.33,-3.08,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.04,3.78,;6.58,3.7,;8.12,3.62,;5.51,6.16,;4.51,7.33,;3.34,6.33,;4.63,8.86,;4.76,10.4,)|
NC(=O)c1cc(ccn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
NC(=O)c1cc(ccn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-2.67,-7.7,;-1.33,-6.93,;,-7.7,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.04,3.78,;6.58,3.7,;8.12,3.62,;5.51,6.16,;4.51,7.33,;3.34,6.33,;4.63,8.86,;4.76,10.4,)|
Cc1ncc(cc1N)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
Cc1ccc(c(N)n1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
Cc1cc(cnc1N)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
Cc1cc(cc(N)n1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-4,-2.31,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;-1.33,-6.93,;-2.67,-4.62,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
Cc1ncc(cc1O)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
COc1nc(ccc1N)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-4,-5.39,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
NC(=O)c1nc(ccc1N)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-5.33,-3.08,;-4,-2.31,;-4,-.77,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;-2.67,-4.62,;-4,-5.39,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
CC(=O)Nc1cc(cnc1C)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnc(N)c(N)c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccc(N)nc1N
CC(=O)Nc1cc(cnc1NC(C)=O)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnc2CCCc2c1
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccnnc1
FC(F)(F)CN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cncnc1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cncnc1
COc1ncc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
COc1ncc(cn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cnc(N)nc1
Nc1cc(cnn1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-4,-2.31,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;-2.67,-4.62,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
Nc1cnnc(c1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-4,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
NC(=O)c1nccc(n1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-2.67,-7.7,;-1.33,-6.93,;,-7.7,;-1.33,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.04,3.78,;6.58,3.7,;8.12,3.62,;5.51,6.16,;4.51,7.33,;3.34,6.33,;4.63,8.86,;4.76,10.4,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccc(=O)[nH]c1
O=c1ccc(c[nH]1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(=O)(=O)C1CC1
COC1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccc(=O)[nH]c1 |(7.98,8.11,;7.78,6.58,;6.35,5.99,;5.77,4.57,;4.34,5.16,;2.82,5.4,;2.27,6.83,;1.72,8.27,;4.93,6.58,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-4,-5.39,;-1.33,-5.39,;,-4.62,)|
Cn1cc(ccc1=O)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
Cn1cc(ccc1=O)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
Cc1cc(c[nH]c1=O)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
CCn1cc(ccc1=O)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccccc1O
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccc(O)cc1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccccc1CO
CS(=O)(=O)Nc1ccc(cc1)-c1cc2ncccc2c(n1)-c1ccn(n1)C1(CC#N)CC(C1)C#N |(-2.46,-6.93,;-4,-6.93,;-4,-8.47,;-5.54,-6.93,;-4,-5.39,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;5.04,3.78,;6.58,3.7,;8.12,3.62,;5.51,6.16,;4.51,7.33,;3.34,6.33,;4.63,8.86,;4.76,10.4,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccccc1F
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccc(F)cc1O
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1ccc(O)c(F)c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc(O)cc(F)c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)-c1cc(F)ccc1O
CCN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)C1=CCOCC1 |t:28|
CCN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)N1CCOCC1
CCN1CC(CC#N)(C1)n1ccc(n1)-c1nc(cc2ncccc12)N1CCCC1
Nc1cccc(Oc2cc3ncccc3c(n2)-c2ccn(n2)C2(CC#N)CC(C2)C#N)n1 |(2.67,-7.7,;1.33,-6.93,;,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;1.33,-5.39,)|
Cc1cc(nn1C1(CC#N)CN(C1)S(C)(=O)=O)-c1nc(cc2ncccc12)-c1ccn[nH]1
Cc1cc(nn1C1(CC#N)CC(C1)C#N)-c1nc(cc2ncccc12)-c1cc[nH]n1 |(.99,5.16,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;3.44,3.91,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,)|
Cc1cc(nn1C1(CC#N)CC(C1)C#N)-c1nc(cc2ncccc12)-c1cc(N)n(C)n1 |(4.34,5.16,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;1.9,3.91,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-3.97,-3.44,;-1.67,-4.93,;-2.29,-6.34,;-.16,-4.61,)|
Cc1cc(nn1C1(CC#N)CN(C1)S(C)(=O)=O)-c1nc(cc2ncccc12)-c1cn[nH]c1
Cc1cc(nn1C1(CC#N)CC(C1)C#N)-c1nc(cc2ncccc12)-c1cn[nH]c1 |(.99,5.16,;1.9,3.91,;1.42,2.45,;2.67,1.54,;3.91,2.45,;3.44,3.91,;4.34,5.16,;5.59,4.25,;7,4.88,;8.4,5.5,;3.1,6.06,;4,7.31,;5.25,6.4,;3.76,8.83,;3.52,10.35,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,)|
Cc1cc(nn1C1(CC#N)CC(C1)C#N)-c1nc(cc2ncccc12)-c1cn[nH]c1N |(4.34,5.16,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;1.9,3.91,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,;-1.73,-.95,)|
Cc1cn(nc1-c1nc(cc2ncccc12)-c1cn[nH]c1N)C1(CC#N)CC(C1)C#N |(5.38,1.97,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,;-1.73,-.95,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
Cc1cn(nc1-c1nc(cc2ncccc12)-c1cc(N)n(C)n1)C1(CC#N)CC(C1)C#N |(5.38,1.97,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-3.97,-3.44,;-1.67,-4.93,;-2.29,-6.34,;-.16,-4.61,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,)|
Cn1cc(cn1)-c1cc2ncccc2c(n1)-n1ccc(n1)C1(CC#N)CN(CC(F)(F)F)C1
Cn1cc(cn1)-c1cc2ncccc2c(n1)-c1cn(nn1)C1(CC#N)CN(CC(F)(F)F)C1
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1nc(cc2ncccc12)-c1cc[nH]n1
Cn1cc(cn1)-c1cc2ncccc2c(n1)-c1cc(no1)C1(CC#N)CN(CC#N)C1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1cc(cc2ncccc12)-c1cc[nH]n1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1cc(cc2ncccc12)-c1cn[nH]c1
Cn1cc(cn1)-c1cc(-c2ccn(n2)C2(CC#N)CN(CC(F)(F)F)C2)c2cccnc2c1
Cn1cc(cn1)-c1cc(-c2ccn(n2)C2(CC#N)CN(C2)S(C)(=O)=O)c2cccnc2c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1cc(cc2ncccc12)-c1ccc(=O)[nH]c1
CS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1cc(cc2ncccc12)-c1cc[nH]n1
CS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1cc(cc2ncccc12)-c1cn[nH]c1
Nc1[nH]ncc1-c1cc(-c2cnn(c2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.73,-.95,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;4.34,5.16,;3.1,6.06,;3.26,7.59,;3.42,9.12,;5.25,6.4,;6.49,5.5,;5.59,4.25,;8.01,5.74,;9.54,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
COC1CC(CC#N)(C1)n1cc(cn1)-c1cc(cc2ncccc12)-c1c[nH]nc1N
Cn1cc(cn1)-c1cc(-c2cnn(c2)C2(CC#N)CN(CC#N)C2)c2cccnc2c1
Cc1cc(nn1C1(CC#N)CN(C1)S(C)(=O)=O)-c1cc(cc2ncccc12)-c1cc[nH]n1
Cn1cc(cn1)-c1cc(-c2cn(nn2)C2(CC#N)CN(C2)S(C)(=O)=O)c2cccnc2c1
CS(=O)(=O)N1CC(CC#N)(C1)n1cc(nn1)-c1cc(cc2ncccc12)-c1ccc(=O)[nH]c1
FC(F)(F)CN1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cc[nH]n1
FC1(CN2CC(CC#N)(C2)n2ncc(n2)-c2cc(cc3ncccc23)-c2cc[nH]n2)CC1
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cc[nH]n1
O=S(=O)(C1CC1)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cc[nH]n1
NS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cc[nH]n1
O=S(=O)(C1COC1)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1ccn[nH]1
N#CCC1(CC(C1)C#N)n1ncc(n1)-c1cc(cc2ncccc12)-c1cc[nH]n1 |(1.92,9.12,;2.08,7.59,;2.24,6.06,;.99,5.16,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,)|
COC1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cc[nH]n1 |(-.69,9.53,;.7,8.86,;.82,7.33,;1.99,6.33,;.99,5.16,;.29,3.78,;-1.24,3.7,;-2.78,3.62,;-.18,6.16,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,)|
Nc1cc(n[nH]1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
OCc1cc(n[nH]1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4.87,-4.68,;-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cn1nc(cc1CO)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-2.29,-6.34,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-3.97,-3.44,;-4.87,-4.68,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cn1nccc1-c1cc(-c2cnn(n2)C2(CC#N)CN(C2)S(C)(=O)=O)c2cccnc2c1
Cn1ccc(n1)-c1cc(-c2cnn(n2)C2(CC#N)CN(C2)S(C)(=O)=O)c2cccnc2c1
Cn1ccc(n1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-2.29,-6.34,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cn[nH]c1
N#CCC1(CC(C1)C#N)n1ncc(n1)-c1cc(cc2ncccc12)-c1cn[nH]c1 |(1.92,9.12,;2.08,7.59,;2.24,6.06,;.99,5.16,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,)|
OCc1n[nH]cc1-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(2.45,-5.17,;.98,-5.64,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Nc1[nH]ncc1-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.73,-.95,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
CC1(CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1c[nH]nc1N)C#N |(2.33,8.48,;1.33,7.31,;.09,6.4,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;2.24,6.06,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;.98,-5.64,;.74,8.73,;.15,10.15,)|
CC1(CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cn[nH]c1N)C#N |(2.33,8.48,;1.33,7.31,;.09,6.4,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;2.24,6.06,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,;-1.73,-.95,;.74,8.73,;.15,10.15,)|
Cn1cc(cn1)-c1cc(-c2cnn(n2)C2(CC#N)CN(C2)S(C)(=O)=O)c2cccnc2c1
Cn1cc(cn1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
OCCn1cc(cn1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-6.13,-1.87,;-4.6,-2.03,;-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cn1ncc(c1CO)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-3.97,-3.44,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-1.73,-.95,;-3.19,-.47,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cn1cc(c(CO)n1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;.98,-5.64,;.66,-7.15,;-1.67,-4.93,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cn1ncc(c1N)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-3.97,-3.44,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-1.73,-.95,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cn1cc(c(N)n1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;.98,-5.64,;-1.67,-4.93,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cn1ncc(c1C(N)=O)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-3.97,-3.44,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-1.73,-.95,;-.58,.08,;-3.19,-.47,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.51,5.4,;3.07,6.83,;3.62,8.27,;.4,6.58,;-1.02,5.99,;-.43,4.57,;-2.44,6.58,;-3.87,7.17,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cc1nc(c[nH]1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-2.29,-6.34,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cn1nncc1-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.73,-.95,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cn1cc(nn1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-3.97,-3.44,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;-1.67,-4.93,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
OCc1csc(n1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4.87,-4.68,;-3.97,-3.44,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
OCc1ncc(s1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4.87,-4.68,;-3.97,-3.44,;-2.44,-3.6,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
OCc1cnc(s1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.39,-7.58,;-2.29,-6.34,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;-.16,-4.61,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
OCc1ncsc1-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(2.45,-5.17,;.98,-5.64,;-.16,-4.61,;-1.67,-4.93,;-2.44,-3.6,;-1.41,-2.45,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
OCc1cc(sn1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.39,-7.58,;-2.29,-6.34,;-1.67,-4.93,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
N#CCC1(CC(C1)C#N)n1ncc(n1)-c1cc(cc2ncccc12)-c1ccccn1 |(1.92,9.12,;2.08,7.59,;2.24,6.06,;.99,5.16,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,)|
Fc1ccc(nc1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
NC(=O)c1cccc(n1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4,-.77,;-4,-2.31,;-5.33,-3.08,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.51,5.4,;3.07,6.83,;3.62,8.27,;.4,6.58,;-1.02,5.99,;-.43,4.57,;-2.44,6.58,;-3.87,7.17,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
NC(=O)c1ccc(nc1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.51,5.4,;3.07,6.83,;3.62,8.27,;.4,6.58,;-1.02,5.99,;-.43,4.57,;-2.44,6.58,;-3.87,7.17,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
NC(=O)c1ccnc(c1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4,-.77,;-4,-2.31,;-5.33,-3.08,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.51,5.4,;3.07,6.83,;3.62,8.27,;.4,6.58,;-1.02,5.99,;-.43,4.57,;-2.44,6.58,;-3.87,7.17,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cc1ccc(cn1)-c1cc(-c2cnn(n2)C2(CC#N)CN(C2)S(C)(=O)=O)c2cccnc2c1
Cc1cc(ccn1)-c1cc(-c2cnn(n2)C2(CC#N)CN(C2)S(C)(=O)=O)c2cccnc2c1
Nc1cccc(n1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.33,-6.93,;-1.33,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Nc1ccc(nc1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Nc1ncccc1-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(1.33,-5.39,;,-4.62,;-1.33,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1ccc(N)nc1
Nc1ccc(cn1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Nc1cc(ccn1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
CS(=O)(=O)c1ccc(nc1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-3.23,-6.72,;-4,-5.39,;-5.33,-6.16,;-4.77,-4.06,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
OC(=O)c1cccc(n1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4,-.77,;-4,-2.31,;-5.33,-3.08,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.51,5.4,;3.07,6.83,;3.62,8.27,;.4,6.58,;-1.02,5.99,;-.43,4.57,;-2.44,6.58,;-3.87,7.17,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
CS(=O)(=O)Nc1cccc(n1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4.56,-4.41,;-5.33,-3.08,;-6.67,-3.85,;-6.1,-1.75,;-4,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.51,5.4,;3.07,6.83,;3.62,8.27,;.4,6.58,;-1.02,5.99,;-.43,4.57,;-2.44,6.58,;-3.87,7.17,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
CS(=O)(=O)Nc1ccc(nc1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-2.46,-6.93,;-4,-6.93,;-4,-8.47,;-5.54,-6.93,;-4,-5.39,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.51,5.4,;3.07,6.83,;3.62,8.27,;.4,6.58,;-1.02,5.99,;-.43,4.57,;-2.44,6.58,;-3.87,7.17,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
CC(=O)Nc1cccc(n1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-5.33,,;-4,-.77,;-2.67,,;-4,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.51,5.4,;3.07,6.83,;3.62,8.27,;.4,6.58,;-1.02,5.99,;-.43,4.57,;-2.44,6.58,;-3.87,7.17,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cc1nc(ccc1CCO)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-4,-5.39,;-5.33,-4.62,;-6.67,-5.39,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
N#CCC1(CC(C1)C#N)n1ncc(n1)-c1cc(cc2ncccc12)-c1cc2NCCc2cn1 |(24.32,-.18,;23.07,-1.08,;21.82,-1.99,;20.42,-1.36,;19.01,-.74,;19.64,.67,;21.04,.05,;19.09,2.11,;18.53,3.55,;19.79,-2.77,;20.56,-4.1,;19.53,-5.25,;18.12,-4.62,;18.28,-3.09,;16.79,-5.39,;15.46,-4.62,;14.12,-5.39,;14.12,-6.93,;15.46,-7.7,;15.46,-9.24,;16.79,-10.01,;18.12,-9.24,;18.12,-7.7,;16.79,-6.93,;12.79,-4.62,;11.46,-5.39,;10.12,-4.62,;8.66,-5.1,;7.75,-3.85,;8.66,-2.6,;10.12,-3.08,;11.46,-2.31,;12.79,-3.08,)|
Cc1nc(ccc1O)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-4,-5.39,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
COc1nc(ccc1N)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-4,-5.39,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
NC(=O)c1cc(ncc1F)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4,-.77,;-4,-2.31,;-5.33,-3.08,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;-2.67,-4.62,;-4,-5.39,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.51,5.4,;3.07,6.83,;3.62,8.27,;.4,6.58,;-1.02,5.99,;-.43,4.57,;-2.44,6.58,;-3.87,7.17,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cc1cc(cnc1N)-c1cc(-c2cnn(n2)C2(CC#N)CN(C2)S(C)(=O)=O)c2cccnc2c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cncnc1
N#CCC1(CC(C1)C#N)n1ncc(n1)-c1cc(cc2ncccc12)-c1ncccn1 |(1.92,9.12,;2.08,7.59,;2.24,6.06,;.99,5.16,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;,-4.62,;-1.33,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,)|
N#CCC1(CC(C1)C#N)n1ncc(n1)-c1cc(cc2ncccc12)-c1cncnc1 |(1.92,9.12,;2.08,7.59,;2.24,6.06,;.99,5.16,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;,-4.62,;-1.33,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,)|
N#CCC1(CC(C1)C#N)n1ncc(n1)-c1cc(cc2ncccc12)-c1cnccn1 |(1.92,9.12,;2.08,7.59,;2.24,6.06,;.99,5.16,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cnc(N)nc1
Nc1ncc(cn1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Nc1cc(ncn1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4,-2.31,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;-2.67,-4.62,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Nc1cncc(n1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.33,-6.93,;-1.33,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Nc1cnc(cn1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4,-5.39,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Nc1ccc(nn1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-4,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cc1cncc(n1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.33,-6.93,;-1.33,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cc1ncc(N)nc1-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-1.33,-6.93,;,-4.62,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
COc1ncc(cn1)-c1cc(-c2cnn(n2)C2(CC#N)CN(C2)S(C)(=O)=O)c2cccnc2c1
OCCOc1cnc(nc1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-5.33,-9.24,;-5.33,-7.7,;-4,-6.93,;-4,-5.39,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
COc1nc(cnc1N)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-4,-5.39,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1ccc(=O)[nH]c1
O=c1cc(cc[nH]1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.24,6.06,;2.08,7.59,;1.92,9.12,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cn1cc(ccc1=O)-c1cc(-c2cnn(n2)C2(CC#N)CN(C2)S(C)(=O)=O)c2cccnc2c1
CCn1cc(ccc1=O)-c1cc(-c2cnn(n2)C2(CC#N)CN(C2)S(C)(=O)=O)c2cccnc2c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1c[nH]c(=O)[nH]c1=O
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1c[nH]c2nccc2c1
N#CCC1(CC(C1)C#N)n1ncc(n1)-c1cc(cc2ncccc12)-c1cnc2[nH]ccc2n1 |(24.32,-.18,;23.07,-1.08,;21.82,-1.99,;20.42,-1.36,;19.01,-.74,;19.64,.67,;21.04,.05,;19.09,2.11,;18.53,3.55,;19.79,-2.77,;20.56,-4.1,;19.53,-5.25,;18.12,-4.62,;18.28,-3.09,;16.79,-5.39,;15.46,-4.62,;14.12,-5.39,;14.12,-6.93,;15.46,-7.7,;15.46,-9.24,;16.79,-10.01,;18.12,-9.24,;18.12,-7.7,;16.79,-6.93,;12.79,-4.62,;12.79,-3.08,;11.46,-2.31,;10.12,-3.08,;8.66,-2.6,;7.75,-3.85,;8.66,-5.1,;10.12,-4.62,;11.46,-5.39,)|
N#CCC1(CC(C1)C#N)n1ncc(n1)-c1cc(cc2ncccc12)-c1cnc2ncccn12 |(-5.47,1.92,;-3.94,1.76,;-2.41,1.6,;-1.79,.19,;-1.16,-1.21,;-2.57,-1.84,;-3.19,-.43,;-3.12,-3.28,;-3.67,-4.72,;-.38,.82,;-.06,2.33,;1.47,2.49,;2.1,1.08,;.96,.05,;3.61,.76,;4.08,-.7,;5.59,-1.02,;6.62,.12,;6.14,1.58,;7.17,2.73,;6.7,4.19,;5.19,4.51,;4.16,3.37,;4.64,1.9,;6.06,-2.49,;5.16,-3.74,;6.06,-4.98,;7.53,-4.51,;8.86,-5.28,;10.2,-4.51,;10.2,-2.97,;8.86,-2.2,;7.53,-2.97,)|
N#CCC1(CC(C1)C#N)n1ncc(n1)-c1cc(cc2ncccc12)-c1cnn2cccnc12 |(-5.47,1.92,;-3.94,1.76,;-2.41,1.6,;-1.79,.19,;-1.16,-1.21,;-2.57,-1.84,;-3.19,-.43,;-3.12,-3.28,;-3.67,-4.72,;-.38,.82,;-.06,2.33,;1.47,2.49,;2.1,1.08,;.96,.05,;3.61,.76,;4.08,-.7,;5.59,-1.02,;6.62,.12,;6.14,1.58,;7.17,2.73,;6.7,4.19,;5.19,4.51,;4.16,3.37,;4.64,1.9,;6.06,-2.49,;5.16,-3.74,;6.06,-4.98,;7.53,-4.51,;8.86,-5.28,;10.2,-4.51,;10.2,-2.97,;8.86,-2.2,;7.53,-2.97,)|
N#CCC1(CC(C1)C#N)n1ncc(n1)-c1cc(cc2ncccc12)-c1cnc2cccnn12 |(-5.47,1.92,;-3.94,1.76,;-2.41,1.6,;-1.79,.19,;-1.16,-1.21,;-2.57,-1.84,;-3.19,-.43,;-3.12,-3.28,;-3.67,-4.72,;-.38,.82,;-.06,2.33,;1.47,2.49,;2.1,1.08,;.96,.05,;3.61,.76,;4.08,-.7,;5.59,-1.02,;6.62,.12,;6.14,1.58,;7.17,2.73,;6.7,4.19,;5.19,4.51,;4.16,3.37,;4.64,1.9,;6.06,-2.49,;5.16,-3.74,;6.06,-4.98,;7.53,-4.51,;8.86,-5.28,;10.2,-4.51,;10.2,-2.97,;8.86,-2.2,;7.53,-2.97,)|
Nc1nccn2c(cnc12)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-3.65,-6.72,;-2.14,-6.4,;-1.11,-7.54,;.39,-7.22,;.87,-5.76,;-.16,-4.61,;,-3.08,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Nc1nc(cn2ccnc12)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-4.13,-2.6,;-5.04,-3.85,;-4.13,-5.1,;-2.67,-4.62,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
Cc1nc2ccc(nc2[nH]1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(5.02,-5.92,;6.56,-5.92,;7.46,-7.17,;8.92,-6.69,;10.26,-7.46,;11.59,-6.69,;11.59,-5.15,;10.26,-4.38,;8.92,-5.15,;7.46,-4.68,;12.93,-4.38,;12.93,-2.84,;14.26,-2.07,;14.26,-.53,;15.51,.37,;15.03,1.84,;13.49,1.84,;13.01,.37,;12.58,3.08,;13.83,3.99,;13.67,5.52,;13.51,7.05,;11.34,2.18,;10.43,3.42,;11.68,4.33,;8.91,3.66,;7.39,3.91,;15.59,-2.84,;16.93,-2.07,;18.26,-2.84,;18.26,-4.38,;16.93,-5.15,;15.59,-4.38,;14.26,-5.15,)|
CN1C(=O)COc2ccc(nc12)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(5.33,-4.62,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;-1.33,-6.93,;-2.58,-7.84,;-2.1,-9.3,;-.56,-9.3,;-.09,-7.84,;.34,-10.55,;-.9,-11.45,;-.74,-12.98,;-.58,-14.51,;1.59,-9.64,;2.49,-10.89,;1.25,-11.79,;4.01,-11.13,;5.53,-11.37,;-2.67,-4.62,;-4,-5.39,;-5.33,-4.62,;-5.33,-3.08,;-4,-2.31,;-2.67,-3.08,;-1.33,-2.31,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cccc(CN)c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cccc(CO)c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cccc(c1)C(N)=O
NC(=O)c1cccc(c1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-2.67,-7.7,;-1.33,-6.93,;,-7.7,;-1.33,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.51,5.4,;3.07,6.83,;3.62,8.27,;.4,6.58,;-1.02,5.99,;-.43,4.57,;-2.44,6.58,;-3.87,7.17,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
NC(=O)c1ccc(cc1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.51,5.4,;3.07,6.83,;3.62,8.27,;.4,6.58,;-1.02,5.99,;-.43,4.57,;-2.44,6.58,;-3.87,7.17,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
OC(=O)c1ccc(cc1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;2.51,5.4,;3.07,6.83,;3.62,8.27,;.4,6.58,;-1.02,5.99,;-.43,4.57,;-2.44,6.58,;-3.87,7.17,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1ccccc1O
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cccc(O)c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1ccc(O)cc1
NCCOc1ccc(cc1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(-5.33,-9.24,;-5.33,-7.7,;-4,-6.93,;-4,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;3.91,2.45,;3.44,3.91,;1.9,3.91,;1.42,2.45,;.99,5.16,;-.25,4.25,;-1.66,4.88,;-3.07,5.5,;.09,6.4,;1.33,7.31,;2.24,6.06,;1.57,8.83,;1.81,10.35,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1ccc(F)cc1O
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cc(O)cc(F)c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1ccc(O)c(F)c1
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1cccc(CO)c1F
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1ccc(F)c(CO)c1
N#CCC1(CC(C1)C#N)n1ncc(n1)-c1cc(cc2ncccc12)-c1ccc(cc1)-c1nnn[nH]1 |(1.92,9.12,;2.08,7.59,;2.24,6.06,;.99,5.16,;-.25,4.25,;-1.16,5.5,;.09,6.4,;-2.68,5.74,;-4.2,5.98,;1.9,3.91,;3.44,3.91,;3.91,2.45,;2.67,1.54,;1.42,2.45,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,-3.08,;,-4.62,;-1.33,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;-4,-5.39,;-4.16,-6.92,;-5.67,-7.24,;-6.44,-5.91,;-5.41,-4.76,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1ncc(n1)-c1cc(cc2ncccc12)-c1ccc2CNC(=O)c2c1
O=C1Cc2cccc(c2N1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)c2cccnc2c1 |(2.62,-5.92,;4.16,-5.92,;5.07,-7.17,;6.53,-6.69,;7.87,-7.46,;9.2,-6.69,;9.2,-5.15,;7.87,-4.38,;6.53,-5.15,;5.07,-4.68,;7.87,-2.84,;6.53,-2.07,;6.53,-.53,;5.2,.24,;5.04,1.77,;3.53,2.09,;2.76,.76,;3.79,-.39,;1.23,.59,;1.07,2.13,;-.34,2.75,;-1.75,3.38,;1.39,-.94,;-.14,-1.1,;-.3,.43,;-1.11,-2.3,;-2.08,-3.49,;7.87,.24,;7.87,1.78,;9.2,2.55,;10.53,1.78,;10.53,.24,;9.2,-.53,;9.2,-2.07,)|
CS(=O)(=O)N1CC(CC#N)(C1)n1cnc(n1)-c1cc(cc2ncccc12)-c1ccc(=O)[nH]c1
CS(=O)(=O)N1CC(CC#N)(C1)n1cnc(n1)-c1cc(cc2ncccc12)-c1ccn[nH]1
CS(=O)(=O)N1CC(CC#N)(C1)n1cnc(n1)-c1cc(cc2ncccc12)-c1cn[nH]c1
N#CCC1(CC(C1)C#N)n1cc(cn1)-c1cc(cc2nccn12)-c1cc[nH]n1 |(5.37,11.43,;5.53,9.9,;5.69,8.37,;4.45,7.47,;3.2,6.56,;2.29,7.81,;3.54,8.71,;.77,8.05,;-.75,8.29,;5.35,6.22,;4.87,4.76,;6.12,3.85,;7.37,4.76,;6.89,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;8.95,-2.3,;10.46,-2.62,;11.23,-1.29,;10.19,-.14,)|
N#CCC1(CC(C1)C#N)n1cc(cn1)-c1cc(cc2nccn12)-c1cn[nH]c1 |(5.37,11.43,;5.53,9.9,;5.69,8.37,;4.45,7.47,;3.2,6.56,;2.29,7.81,;3.54,8.71,;.77,8.05,;-.75,8.29,;5.35,6.22,;4.87,4.76,;6.12,3.85,;7.37,4.76,;6.89,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;10.46,-2.62,;8.95,-2.3,)|
Cn1cc(cn1)-c1cc(-c2cnn(c2)C2(CC#N)CN(CC(F)(F)F)C2)n2ccnc2c1
Cn1cc(cn1)-c1cc(-c2cnn(c2)C2(CC#N)CC(C2)C#N)n2ccnc2c1 |(11.08,-4.03,;10.46,-2.62,;8.95,-2.3,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;7.45,,;7.45,1.54,;6.12,2.31,;6.12,3.85,;7.37,4.76,;6.89,6.22,;5.35,6.22,;4.87,4.76,;4.45,7.47,;5.69,8.37,;5.53,9.9,;5.37,11.43,;3.2,6.56,;2.29,7.81,;3.54,8.71,;.77,8.05,;-.75,8.29,;4.79,1.54,;3.32,2.02,;2.42,.77,;3.32,-.48,;4.79,,;6.12,-.77,)|
COC1CC(CC#N)(C1)n1cc(cn1)-c1cc(cc2nccn12)-c1cnn(C)c1 |(2.76,11.84,;4.15,11.17,;4.27,9.64,;5.45,8.64,;4.45,7.47,;3.75,6.09,;2.21,6.01,;.67,5.93,;3.27,8.47,;5.35,6.22,;4.87,4.76,;6.12,3.85,;7.37,4.76,;6.89,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,)|
Cc1cc([nH]n1)-c1cc(-c2cnn(c2)C2(CC#N)CC(C2)C#N)n2ccnc2c1 |(12.76,-1.13,;11.23,-1.29,;10.19,-.14,;8.79,-.77,;8.95,-2.3,;10.46,-2.62,;7.45,,;7.45,1.54,;6.12,2.31,;6.12,3.85,;7.37,4.76,;6.89,6.22,;5.35,6.22,;4.87,4.76,;4.45,7.47,;5.69,8.37,;5.53,9.9,;5.37,11.43,;3.2,6.56,;2.29,7.81,;3.54,8.71,;.77,8.05,;-.75,8.29,;4.79,1.54,;3.32,2.02,;2.42,.77,;3.32,-.48,;4.79,,;6.12,-.77,)|
Cc1cc(n[nH]1)-c1cc(-c2cnn(c2)C2(CC#N)CC(C2)C#N)n2ccnc2c1 |(11.08,-4.03,;10.46,-2.62,;8.95,-2.3,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;7.45,,;7.45,1.54,;6.12,2.31,;6.12,3.85,;7.37,4.76,;6.89,6.22,;5.35,6.22,;4.87,4.76,;4.45,7.47,;5.69,8.37,;5.53,9.9,;5.37,11.43,;3.2,6.56,;2.29,7.81,;3.54,8.71,;.77,8.05,;-.75,8.29,;4.79,1.54,;3.32,2.02,;2.42,.77,;3.32,-.48,;4.79,,;6.12,-.77,)|
COC1CC(CC#N)(C1)n1cc(cn1)-c1cc(cc2nccn12)-c1c[nH]nc1CO |(8.43,11.56,;7.88,10.12,;6.36,9.88,;5.11,10.78,;4.21,9.54,;2.96,10.44,;3.12,11.98,;3.28,13.51,;5.45,8.63,;3.3,8.29,;3.78,6.83,;2.53,5.92,;1.28,6.83,;1.76,8.29,;2.53,4.38,;3.86,3.61,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;5.2,1.3,;5.36,-.23,;6.87,-.55,;7.64,.78,;6.6,1.93,;6.92,3.44,;8.39,3.91,)|
Cc1ncc([nH]1)-c1cc(-c2cnn(c2)C2(CC#N)CC(C2)C#N)n2ccnc2c1 |(11.08,-4.03,;10.46,-2.62,;11.23,-1.29,;10.19,-.14,;8.79,-.77,;8.95,-2.3,;7.45,,;7.45,1.54,;6.12,2.31,;6.12,3.85,;7.37,4.76,;6.89,6.22,;5.35,6.22,;4.87,4.76,;4.45,7.47,;5.69,8.37,;5.53,9.9,;5.37,11.43,;3.2,6.56,;2.29,7.81,;3.54,8.71,;.77,8.05,;-.75,8.29,;4.79,1.54,;3.32,2.02,;2.42,.77,;3.32,-.48,;4.79,,;6.12,-.77,)|
Nc1n[nH]cc1-c1cc(-c2cnn(c2)C2(CC#N)CC(C2)C#N)n2ccnc2c1 |(6.92,3.44,;6.6,1.93,;7.64,.78,;6.87,-.55,;5.36,-.23,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;2.96,10.44,;3.12,11.98,;3.28,13.51,;5.11,10.78,;6.36,9.88,;5.45,8.63,;7.88,10.12,;9.4,10.36,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,)|
OCc1csc(n1)-c1cc(-c2cnn(c2)C2(CC#N)CC(C2)C#N)n2ccnc2c1 |(12.61,-4.19,;11.08,-4.03,;10.46,-2.62,;11.23,-1.29,;10.19,-.14,;8.79,-.77,;8.95,-2.3,;7.45,,;7.45,1.54,;6.12,2.31,;6.12,3.85,;7.37,4.76,;6.89,6.22,;5.35,6.22,;4.87,4.76,;4.45,7.47,;5.69,8.37,;5.53,9.9,;5.37,11.43,;3.2,6.56,;2.29,7.81,;3.54,8.71,;.77,8.05,;-.75,8.29,;4.79,1.54,;3.32,2.02,;2.42,.77,;3.32,-.48,;4.79,,;6.12,-.77,)|
Oc1ccc(cc1)-c1cc(-c2cnn(c2)C2(CC#N)CC(C2)C#N)n2ccnc2c1 |(12.79,-3.08,;11.46,-2.31,;11.46,-.77,;10.12,,;8.79,-.77,;8.79,-2.31,;10.12,-3.08,;7.45,,;7.45,1.54,;6.12,2.31,;6.12,3.85,;7.37,4.76,;6.89,6.22,;5.35,6.22,;4.87,4.76,;4.45,7.47,;5.69,8.37,;5.53,9.9,;5.37,11.43,;3.2,6.56,;2.29,7.81,;3.54,8.71,;.77,8.05,;-.75,8.29,;4.79,1.54,;3.32,2.02,;2.42,.77,;3.32,-.48,;4.79,,;6.12,-.77,)|
Nc1ccc(cn1)-c1cc(-c2cnn(c2)C2(CC#N)CC(C2)C#N)n2ccnc2c1 |(9.2,-1.01,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;5.2,1.3,;6.53,2.07,;7.87,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;2.96,10.44,;3.12,11.98,;3.28,13.51,;5.11,10.78,;6.36,9.88,;5.45,8.63,;7.88,10.12,;9.4,10.36,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,)|
NC(=O)c1cccc(n1)-c1cc(-c2cnn(c2)C2(CC#N)CC(C2)C#N)n2ccnc2c1 |(8.79,-5.39,;10.12,-4.62,;11.46,-5.39,;10.12,-3.08,;11.46,-2.31,;11.46,-.77,;10.12,,;8.79,-.77,;8.79,-2.31,;7.45,,;7.45,1.54,;6.12,2.31,;6.12,3.85,;7.37,4.76,;6.89,6.22,;5.35,6.22,;4.87,4.76,;4.45,7.47,;5.97,7.71,;6.52,9.14,;7.07,10.58,;3.86,8.89,;2.43,8.3,;3.02,6.88,;1.01,8.89,;-.41,9.48,;4.79,1.54,;3.32,2.02,;2.42,.77,;3.32,-.48,;4.79,,;6.12,-.77,)|
COc1nc(ccc1N)-c1cc(-c2cnn(c2)C2(CC#N)CC(C2)C#N)n2ccnc2c1 |(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;7.87,-.24,;9.2,-1.01,;3.86,2.07,;3.86,3.61,;2.53,4.38,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;2.96,10.44,;3.12,11.98,;3.28,13.51,;5.11,10.78,;6.36,9.88,;5.45,8.63,;7.88,10.12,;9.4,10.36,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,)|
Cn1cc(cn1)-c1cc(-c2ccn(n2)C2(CC#N)CN(CC(F)(F)F)C2)n2ccnc2c1
Cn1cc(cn1)-c1cc(-c2cnn(n2)C2(CC#N)CC(C2)C#N)n2ccnc2c1 |(11.08,-4.03,;10.46,-2.62,;8.95,-2.3,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;7.45,,;7.45,1.54,;6.12,2.31,;6.12,3.85,;7.37,4.76,;6.89,6.22,;5.35,6.22,;4.87,4.76,;4.45,7.47,;5.69,8.37,;5.53,9.9,;5.37,11.43,;3.2,6.56,;2.29,7.81,;3.54,8.71,;.77,8.05,;-.75,8.29,;4.79,1.54,;3.32,2.02,;2.42,.77,;3.32,-.48,;4.79,,;6.12,-.77,)|
Cn1cc(cn1)-c1cc(-c2cnn(c2)C2(CC#N)CN(CC(F)(F)F)C2)n2ncnc2c1
Cn1cc(cn1)-c1cc(-c2ccn(n2)C2(CC#N)CN(CC(F)(F)F)C2)n2ncnc2c1
Cn1cc(cn1)-c1cn2ncnc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC#N)C1
Cn1cc(cn1)-c1cc2nccnc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC(F)(F)F)C1
Cn1cc(cn1)-c1cc2nccnc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC#N)C1
Cn1cc(cn1)-c1cc2nccnc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC#N)C1
Cn1cc(cn1)-c1cc2nccnc2c(n1)-c1ccn(n1)C1(CC#N)CN(CC(F)(F)F)C1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(NCc2[nH]1)C(=O)N1CCN(C)CC1
CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](CN3CC[C@@H](C3)N(C)C)N(Cc2[nH]1)C(C)C |r|
CS(=O)(=O)C1CN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)C1
CS(=O)(=O)C1CN(Cc2ccc(cc2F)-c2cccc3nc(NC(=O)C4CC4)nn23)C1
CS(=O)(=O)C1CN(Cc2c(F)cc(cc2F)-c2cccc3nc(NC(=O)C4CC4)nn23)C1
CC(C)C(=O)Nc1nc2cccc(-c3ccc(CN4CC(C4)S(=O)(=O)C4CC4)cc3)n2n1
CCS(=O)(=O)C1CN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C(C)C)nn23)C1
CCS(=O)(=O)C1CN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)C1
CS(=O)(=O)C1CN(Cc2ccc(cc2)-c2cccc3nc(N)nn23)C1
CS(=O)(=O)C1CN(Cc2ccc(cc2)-c2cccn3nc(NC(=O)C4CC4)nc23)C1
O=C(Nc1nc2c(cccn2n1)-c1ccc(CN2CC(C2)S(=O)(=O)C2CC2)cc1)C1CC1
CCS(=O)(=O)C1CN(Cc2ccc(cc2)-c2cccn3nc(NC(=O)C4CC4)nc23)C1
CC(C)C(=O)Nc1nc2c(cccn2n1)-c1ccc(CN2CC(C2)S(C)(=O)=O)cc1
CC(C)C(=O)Nc1nc2c(cccn2n1)-c1ccc(CN2CC(C2)S(=O)(=O)C2CC2)cc1
CCS(=O)(=O)C1CN(Cc2ccc(cc2)-c2cccn3nc(NC(=O)C(C)C)nc23)C1
CS(=O)(=O)C1CN(Cc2ccc(cc2F)-c2cccn3nc(NC(=O)C4CC4)nc23)C1
CS(=O)(=O)C1CN(Cc2c(F)cc(cc2F)-c2cccn3nc(NC(=O)C4CC4)nc23)C1
CS(=O)(=O)C1CN(Cc2ccc(cc2)-c2cccn3nc(N)nc23)C1
CCS(=O)(=O)C1CN(Cc2ccc(cc2)-c2cccn3nc(N)nc23)C1
O=S1(=O)CCN(Cc2ccc(cc2)-c2ncnc3[nH]ccc23)CC1
CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(C)c(Nc3ccc4CCN(c4c3)S(=O)(=O)C(C)(C)C)n2)cc1F
CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C5CC5)c4)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F
CC(C)(C)S(=O)(=O)Nc1cccc(c1)-n1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
O=S(=O)(Nc1cccc(c1)-n1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc12)C1CC1
CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F
CC(C)(C)S(=O)(=O)Nc1cccc(c1)-n1ccc2cnc(Nc3ccc(cc3)C3CCNCC3)nc12
COc1cc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)ccc1N1CCN(C)CC1
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1C#N
CC(C)(C)S(=O)(=O)Nc1cccc(c1)-n1ccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c(F)c3)nc12
CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F
COc1cc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)ccc1N1CCNCC1
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F
CNCCNC(=O)Cc1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
CC(C)(C)S(=O)(=O)Nc1cccc(c1)-c1csc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc12
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3scc(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3scc(-c4ccc(F)c(NS(=O)(=O)C5(C)CC5)c4)c3n2)cc1F
CC(C)(C)S(=O)(=O)Nc1cc(ccc1F)-n1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc12
CC(C)(C)S(=O)(=O)Nc1cc(ccc1F)-n1ccc2cnc(Nc3cc4CC5CNCCN5c4c(F)c3)nc12
CNC1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F
CNC1CCN(CC1)c1ccc(Nc2ncc3scc(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F
CC(C)(C)S(=O)(=O)Nc1cccc(c1)-n1ccc2cnc(Nc3ccc(C(=O)N4CCNCC4)c(F)c3)nc12
CC(C)(C)S(=O)(=O)Nc1cccc(c1)-c1csc2cnc(Nc3ccc4C5CNCCN5CCc4c3)nc12
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCO)C1
CCN1CC(C1)N1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCC(C)C(C1)C(=O)OC
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-9.49,-2.64,;-8.13,-1.85,;-8.11,-.27,;-9.44,.46,;-9.44,2.04,;-10.82,2.74,;-8.13,2.77,;-8.11,4.29,;-6.8,2.01,;-6.8,.49,;-5.44,-.3,;-4.14,.43,;-2.78,-.3,;-2.81,-1.82,;-1.61,-2.85,;-2.27,-4.29,;-3.81,-4.13,;-4.09,-2.58,;-5.44,-1.82,;-.09,-2.55,;.81,-1.31,;2.28,-1.78,;3.61,-1.01,;4.94,-1.78,;6.28,-1.01,;7.61,-1.78,;8.94,-1.01,;10.28,-1.78,;10.52,-3.31,;12.04,-3.06,;11.8,-1.54,;13.29,-3.97,;14.73,-3.33,;4.94,-3.32,;3.61,-4.09,;2.28,-3.32,;.81,-3.8,)|
CN(C1CCN(CC1)C(=O)C=C)c1cc(cn2cncc12)-c1ccc(O)cc1
Cn1cc(Cc2ncc(C(N)=O)c(NCc3ccccc3)n2)cn1 |$;;;;N;;;;;;;;;;;;;;;;;;;$|
COc1ccccc1CNc1nc(Cc2cnn(C)c2)ncc1C(N)=O |$;;;;;;;;;;;;;N;;;;;;;;;;;;$|
COc1cccc(F)c1CNc1nc(Cc2cnn(C)c2)ncc1C(N)=O |$;;;;;;;;;;;;;;N;;;;;;;;;;;;$|
Cc1cccc(C)c1CNc1nc(Cc2cnn(C)c2)ncc1C(N)=O |$;;;;;;;;;;;;;N;;;;;;;;;;;;$|
Cn1cc(Cc2ncc(C(N)=O)c(NCc3c(Cl)cccc3Cl)n2)cn1 |$;;;;N;;;;;;;;;;;;;;;;;;;;;$|
COCCn1cc(Cc2ncc(C(N)=O)c(NCc3c(F)cccc3F)n2)cn1 |$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;$|
COCCn1cc(Cc2ncc(C(N)=O)c(NCc3c(F)cccc3OC)n2)cn1 |$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;$|
Cn1cc(Cc2ncc(C(N)=O)c(NCCCCCO)n2)cn1 |$;;;;N;;;;;;;;;;;;;;;;;;$|
CC(=O)N1CCC(CCNc2nc(Cc3cnn(C)c3)ncc2C(N)=O)CC1 |$;;;;;;;;;;;;;N;;;;;;;;;;;;;;$|
CCCCCNc1nc(Nc2cnn(CC)c2)ncc1C(N)=O
CCCCCCNc1nc(Nc2cnn(CC)c2)ncc1C(N)=O
CCn1cc(Nc2ncc(C(N)=O)c(NCC(C)C)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCC(C)(C)C)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCCC(C)C)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCCC(C)(C)C)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCCCC(C)C)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCC3CCC3)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCC3CCCC3)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCC3CCCCC3)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCCC3CC3)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCCC3CCCC3)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3cccc(F)c3)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3cccc(OC)c3)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccc3F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccc3C)n2)cn1
CCc1ccccc1CNc1nc(Nc2cnn(CC)c2)ncc1C(N)=O
CCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccc3C3CC3)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccc3Cl)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccc3C(F)(F)F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccc3C#N)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccc3OC(C)C)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccc3S(C)(=O)=O)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3cccc(Cl)c3F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3cc(F)ccc3F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3cc(Cl)ccc3F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3cc(ccc3F)C(F)(F)F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3cc(F)ccc3Cl)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3cccc(Cl)c3)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3cc(F)ccc3C#N)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3cc(Cl)ccc3OC)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3Cl)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3C(F)(F)F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3cc(F)cc(F)c3)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)ccc(F)c3F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)ccc(C)c3F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)ccc(F)c3Cl)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCCc3ccccc3)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCCc3ccccc3F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCCc3ccccc3C)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCCc3c(F)cccc3F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3ccncc3)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NC[C@@H](C)c3ccccc3)n2)cn1 |r|
COCCCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccc3)n2)cn1
CN(C)CCCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccc3)n2)cn1
Cn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3F)n2)cn1
CC(C)n1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3F)n2)cn1
NC(=O)c1cnc(Nc2cnn(c2)C2CCC2)nc1NCc1c(F)cccc1F
NC(=O)c1cnc(Nc2cnn(c2)C2CCOC2)nc1NCc1c(F)cccc1F
NC(=O)c1cnc(Nc2cnn(c2)C2CCOCC2)nc1NCc1c(F)cccc1F
NC(=O)c1cnc(Nc2cnn(CC3CCCO3)c2)nc1NCc1c(F)cccc1F
NC(=O)c1cnc(Nc2cnn(CC3CCOC3)c2)nc1NCc1c(F)cccc1F
NC(=O)c1cnc(Nc2cnn(CC3CCOCC3)c2)nc1NCc1c(F)cccc1F
NC(=O)c1cnc(Nc2cnn(CCO)c2)nc1NCc1c(F)cccc1F
CSCCCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3F)n2)cn1
CN(C)CCCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3F)n2)cn1
NC(=O)c1cnc(Nc2cnn(CCCN3CCOCC3)c2)nc1NCc1c(F)cccc1F
CC(C)(O)Cn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3F)n2)cn1
COCCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3F)n2)cn1
CN(C)CCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3F)n2)cn1
COc1cccc(F)c1-n1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3OC)n2)cn1
COc1cccc(F)c1CNc1nc(Nc2cnn(c2)C(C)C)ncc1C(N)=O
COc1cccc(F)c1CNc1nc(Nc2cnn(c2)C2CC2)ncc1C(N)=O
COc1cccc(F)c1CNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C(N)=O
COc1cccc(F)c1CNc1nc(Nc2cnn(CCO)c2)ncc1C(N)=O
COc1cccc(F)c1CNc1nc(Nc2cnn(CCSC)c2)ncc1C(N)=O
COc1cccc(F)c1CNc1nc(Nc2cnn(CCN(C)C)c2)ncc1C(N)=O
COc1cccc(F)c1CNc1nc(Nc2cnn(c2)C2CCN(C)CC2)ncc1C(N)=O
COc1cccc(F)c1CNc1nc(Nc2cnn(CCN3CCCC3)c2)ncc1C(N)=O
COc1cccc(F)c1CNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C(N)=O
COc1cccc(F)c1CNc1nc(Nc2cnn(CC(C)(C)O)c2)ncc1C(N)=O
NC(=O)c1cnc(Nc2cnn(CCO)c2)nc1NCc1c(F)cccc1C(F)(F)F
COCCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3C(F)(F)F)n2)cn1
COc1ccccc1CNc1nc(Nc2cnn(CCO)c2)ncc1C(N)=O
COc1cccc(Cl)c1CNc1nc(Nc2cnn(CCO)c2)ncc1C(N)=O
Cc1cccc(C)c1CNc1nc(Nc2cnn(CCO)c2)ncc1C(N)=O
Cc1cccc(Cl)c1CNc1nc(Nc2cnn(CCO)c2)ncc1C(N)=O
NC(=O)c1cnc(Nc2cnn(CCO)c2)nc1NCc1c(Cl)cccc1Cl
NC(=O)c1cnc(Nc2cnn(CCO)c2)nc1NCc1c(F)ccc(F)c1F
CC(C)CCNc1nc(Nc2cnn(CC(C)(C)C)c2)ncc1C(N)=O
CC(C)CCNc1nc(Nc2cnn(c2)C2CCNCC2)ncc1C(N)=O
CC(C)(C)Cn1cc(Nc2ncc(C(N)=O)c(NCOCCO)n2)cn1
NC(=O)c1cnc(Nc2cnn(c2)C2CCOCC2)nc1NCOCCO
CCc1ccccc1Nc1nc(Nc2cnn(CC)c2)ncc1C(N)=O
CCCn1cc(Nc2ncc(C(N)=O)c(Nc3ccccc3CC)n2)cn1
CCc1ccccc1Nc1nc(Nc2cnn(c2)C(C)C)ncc1C(N)=O
CCc1ccccc1Nc1nc(Nc2cnn(c2)C2CC2)ncc1C(N)=O
CCc1ccccc1Nc1nc(Nc2cnn(c2)C(C)(C)C)ncc1C(N)=O
CCc1ccccc1Nc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C(N)=O
CCCc1ccccc1Nc1nc(Nc2cnn(C)c2)ncc1C(N)=O
CC(C)c1ccccc1Nc1nc(Nc2cnn(C)c2)ncc1C(N)=O
Cn1cc(Nc2ncc(C(N)=O)c(Nc3ccccc3CC3CC3)n2)cn1
COc1ccccc1Nc1nc(Nc2cnn(c2)C(C)(C)C)ncc1C(N)=O
CC(C)(C)n1cc(Nc2ncc(C(N)=O)c(Nc3c(F)cccc3F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(Nc3c(F)cccc3Cl)n2)cn1
CCCn1cc(Nc2ncc(C(N)=O)c(Nc3c(C)cccc3Cl)n2)cn1
CC(C)n1cc(Nc2ncc(C(N)=O)c(Nc3c(F)cccc3Cl)n2)cn1
NC(=O)c1cnc(Nc2cnn(c2)C2CC2)nc1Nc1c(F)cccc1Cl
CC(C)(C)n1cc(Nc2ncc(C(N)=O)c(Nc3c(F)cccc3Cl)n2)cn1
NC(=O)c1cnc(Nc2cnn(c2)C2CCC2)nc1Nc1c(F)cccc1Cl
NC(=O)c1cnc(Nc2cnn(c2)C2CCCC2)nc1Nc1c(F)cccc1Cl
NC(=O)c1cnc(Nc2cnn(c2)C2CCCCC2)nc1Nc1c(F)cccc1Cl
NC(=O)c1cnc(Nc2cnn(c2)C2CCOCC2)nc1Nc1c(F)cccc1Cl
Cn1cc(Nc2ncc(C(N)=O)c(Nc3c(F)cccc3Cl)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(Nc3c(F)cccc3Br)n2)cn1
Cc1cccc(F)c1Nc1nc(Nc2cnn(C)c2)ncc1C(N)=O
CCn1cc(Nc2ncc(C(N)=O)c(Nc3c(C)cccc3F)n2)cn1
CCn1cc(Nc2ncc(C(N)=O)c(Nc3c(F)cccc3C(F)(F)F)n2)cn1
CC(C)(C)n1cc(Nc2ncc(C(N)=O)c(Nc3c(F)cccc3C(F)(F)F)n2)cn1
CCc1cccc(F)c1Nc1nc(Nc2cnn(C)c2)ncc1C(N)=O
CCc1cccc(F)c1Nc1nc(Nc2cnn(CC)c2)ncc1C(N)=O
CCc1cccc(F)c1Nc1nc(Nc2cnn(c2)C(C)(C)C)ncc1C(N)=O
COc1cccc(F)c1Nc1nc(Nc2cnn(c2)C(C)(C)C)ncc1C(N)=O
CCn1cc(Nc2ncc(C(N)=O)c(Nc3c(C)cccc3C)n2)cn1
CC(C)n1cc(Nc2ncc(C(N)=O)c(Nc3c(C)cccc3C)n2)cn1
Cc1cccc(C)c1Nc1nc(Nc2cnn(c2)C(C)(C)C)ncc1C(N)=O
Cc1cccc(C)c1Nc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C(N)=O
Cn1cc(Nc2ncc(C(N)=O)c(Nc3ccccc3C#C)n2)cn1
Cc1n[nH]c(C)c1Nc1nc(Nc2cnn(C)c2)ncc1C(N)=O
Cn1cc(Nc2ncc(C(N)=O)c(Nc3ccccc3C=C)n2)cn1
C\C=C\c1ccccc1Nc1nc(Nc2cnn(C)c2)ncc1C(N)=O
Cn1cc(Nc2ncc(C(N)=O)c(Nc3ccccc3CC=C)n2)cn1
[#6]\[#6](-[#6])=[#6]/[#6]-[#7]-c1nc(-[#7]-c2cnn(c2)C([#6])([#6])[#6])ncc1-[#6](-[#7])=O
CC(C)(C)n1cc(Nc2ncc(C(N)=O)c(NCCCC=C)n2)cn1
CC(=C)CNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C(N)=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#7]-c1nc(-[#7]-c2cnn(c2)-[#6]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)ncc1-[#6](-[#7])=O
NC(=O)c1cnc(Nc2cnn(c2)C2CCOCC2)nc1NCCC=C
NC(=O)c1cnc(Nc2cnn(c2)C2CCOCC2)nc1NCCCC=C
CC(C)(C)n1cc(Nc2ncc(C(N)=O)c(NCC3CC=CC3)n2)cn1 |c:20|
NC(=O)c1cnc(Nc2cnn(c2)C2CCOCC2)nc1NCC1CC=CC1 |c:28|
CC(C)(C)n1cc(Nc2ncc(C(N)=O)c(NCC=C)n2)cn1
CC\C=C/CNc1nc(Nc2cnn(c2)C(C)(C)C)ncc1C(N)=O
C\C=C\CCNc1nc(Nc2cnn(c2)C(C)(C)C)ncc1C(N)=O
CC(=C)CCNc1nc(Nc2cnn(c2)C(C)(C)C)ncc1C(N)=O
CC(=C)CCCNc1nc(Nc2cnn(c2)C(C)(C)C)ncc1C(N)=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#6]-[#7]-c1nc(-[#7]-c2cnn(c2)C([#6])([#6])[#6])ncc1-[#6](-[#7])=O
CC(C)C\C=C\CNc1nc(Nc2cnn(c2)C(C)(C)C)ncc1C(N)=O
C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)C1N=CC(=N1)c1c(C)n[nH]c1C)C(F)(F)F |r,c:23,25|
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c[nH]c2ncccc12
O=S1(=O)CCC(CC#N)(CC1)n1cc(cn1)-c1c[nH]c2ncccc12
O=S1(=O)CCC(CC#N)(CC1)n1cc(cn1)-c1ncnc2[nH]ccc12
O=S1(=O)CCC(CC#N)(CC1)n1cc(cn1)-c1ccnc2[nH]ccc12
CS(=O)(=O)N1CCC(CC#N)(CC1)n1cc(cn1)-c1c[nH]c2ncccc12
CCS(=O)(=O)N1CC(CC(N)=O)(C1)n1cc(cn1)-c1c[nH]c2ncccc12
CCS(=O)(=O)N1CC(CC(=O)NCC(F)(F)F)(C1)n1cc(cn1)-c1c[nH]c2ncccc12
CCS(=O)(=O)N1CC(CC(=O)NCC(F)(F)F)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC(=O)NCC(F)(F)F)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC(=O)NC)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC(N)=O)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CS(=O)(=O)N1CC(CC(=O)NCC(F)(F)F)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CNC(=O)CC1(CN(C1)S(C)(=O)=O)n1cc(cn1)-c1ncnc2[nH]ccc12
CS(=O)(=O)N1CC(CC(N)=O)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CS(=O)(=O)N1CC(CC(=O)NCC(F)(F)F)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
NC(=O)CC1(CCS(=O)(=O)CC1)n1cc(cn1)-c1c[nH]c2ncccc12
FC(F)(F)CNC(=O)CC1(CCS(=O)(=O)CC1)n1cc(cn1)-c1c[nH]c2ncccc12
FC(F)(F)CNC(=O)CC1(CCS(=O)(=O)CC1)n1cc(cn1)-c1ncnc2[nH]ccc12
FC(F)(F)CNC(=O)CC1(CCS(=O)(=O)CC1)n1cc(cn1)-c1ccnc2[nH]ccc12
CS(=O)(=O)N1CCC(CC(=O)NCC(F)(F)F)(CC1)n1cc(cn1)-c1c[nH]c2ncccc12
CS(=O)(=O)N1CCC(CC(=O)NCC(F)(F)F)(CC1)n1cc(cn1)-c1ncnc2[nH]ccc12
CS(=O)(=O)N1CCC(CC(=O)NCC(F)(F)F)(CC1)n1cc(cn1)-c1ccnc2[nH]ccc12
FC(F)(F)CNC(=O)CC1(CCCC1)n1cc(cn1)-c1c[nH]c2ncccc12
FC(F)(F)CNC(=O)CC1(CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
FC(F)(F)CNC(=O)CC1(CCCC1)n1cc(cn1)-c1ccnc2[nH]ccc12
CC(C)(CC(=O)NCC(F)(F)F)n1cc(cn1)-c1c[nH]c2ncccc12
CC(C)(CC(=O)NCC(F)(F)F)n1cc(cn1)-c1ncnc2[nH]ccc12
CS(=O)(=O)N1CC(C1)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F
CCS(=O)(=O)N1CC(C1)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F
FC(F)(F)CNC(=O)C1(CN(C1)S(=O)(=O)C1CC1)Nc1ccnc(n1)-c1c[nH]c2ncccc12
CS(=O)(=O)N1CC(C1)(Nc1nc(ncc1F)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F
Fc1cnc(nc1NC1(CN(C1)S(=O)(=O)C1CC1)C(=O)NCC(F)(F)F)-c1c[nH]c2ncccc12
CS(=O)(=O)N1CCC(CC1)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F
CCS(=O)(=O)N1CCC(CC1)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F
FC(F)(F)CNC(=O)C1(CCN(CC1)S(=O)(=O)C1CC1)Nc1ccnc(n1)-c1c[nH]c2ncccc12
Fc1cnc(nc1NC1(CCN(CC1)S(=O)(=O)C1CC1)C(=O)NCC(F)(F)F)-c1c[nH]c2ncccc12
Fc1cnc(nc1NC1(CCS(=O)(=O)CC1)C(=O)NCC(F)(F)F)-c1c[nH]c2ncccc12
CCS(=O)(=O)N1CC(C1)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C#N
CCS(=O)(=O)N1CC(C1)(Nc1ccnc(n1)-c1ncnc2[nH]ccc12)C#N
CCS(=O)(=O)N1CC(C1)(Nc1ccnc(n1)-c1ccnc2[nH]ccc12)C#N
CS(=O)(=O)N1CC(C1)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C#N
CS(=O)(=O)N1CC(C1)(Nc1ccnc(n1)-c1ncnc2[nH]ccc12)C#N
O=S1(=O)CCC(CC1)(Nc1ccnc(n1)-c1ncnc2[nH]ccc12)C#N
N#CC1(CCC1)Nc1ccnc(n1)-c1c[nH]c2ncccc12
N#CC1(CCC1)Nc1ccnc(n1)-c1ncnc2[nH]ccc12
N#CC1(CCC1)Nc1ccnc(n1)-c1ccnc2[nH]ccc12
N#CC1(CCCC1)Nc1ccnc(n1)-c1c[nH]c2ncccc12
N#CC1(CCCC1)Nc1ccnc(n1)-c1ncnc2[nH]ccc12
N#CC1(CCCC1)Nc1ccnc(n1)-c1ccnc2[nH]ccc12
CC[C@@](C)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C#N |r|
CC[C@@](C)(Nc1ccnc(n1)-c1ncnc2[nH]ccc12)C#N |r|
CC[C@@](C)(Nc1ccnc(n1)-c1ccnc2[nH]ccc12)C#N |r|
N#CCC(C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1cscn1 |r|
FC(F)n1ccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Cc1ncc(s1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1nccs1 |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ncco1 |r|
Cc1noc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1nnco1 |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1nncs1 |r|
C[C@@H]1C[C@@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ncco1 |r|
C[C@H]1C[C@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ncco1 |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1nnc[nH]1 |r|
O[C@H]1CC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ccccn1 |r|
O[C@H]1CC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ncco1 |r|
NC(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Cc1ccnc(c1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1cncs1 |r|
Cn1ccnc1-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ccn[nH]1 |r|
Cc1nc(no1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Cc1cccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ccccn1 |r|
Cc1ccc(nc1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ncccn1 |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ccncn1 |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)C#N |r|
Cc1cc([nH]n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
N#CCCN1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ncco1 |r|
C[C@H]1CC[C@H](CN1C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ncco1 |r|
NC(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@H]1CC[C@@H](O)C1 |r|
CNC(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CC[C@H](C)N(C1)C(=O)CC#N |r|
CNC(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1C[C@H](C)CN(C1)C(=O)CC#N |r|
CNC(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@H]1C[C@@H](C)CN(C1)C(=O)CC#N |r|
CNC(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CN(C)C(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CNC(=O)c1csc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Cc1cnc(o1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Cc1cnc(o1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(CCC#N)C1 |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ncon1 |r|
CNC(=O)c1cnc(o1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
C[C@H]1C[C@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ccn(n1)C(F)F |r|
O=C(CC#N)N1CCCC(C1)Nc1c(cnc2[nH]ccc12)-c1ccsn1
CCOC(=O)c1cnc(s1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
COc1nccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Nc1cccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CS(=O)c1cnc(s1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CS(=O)(=O)c1cnc(s1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CS(=O)(=O)c1cnc(s1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(CCC#N)C1 |r|
CS(=O)(=O)c1cnc(o1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CSc1nccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CN(C1CCN(C1)c1nccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N)C(=O)CC#N |r|
Nc1nccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
C[C@H]1C[C@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ccnc(C)n1 |r|
CNC(=O)c1cnc(s1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CN(C)S(=O)(=O)Nc1ccnc(c1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CS(=O)(=O)Nc1ccnc(c1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
C[C@@H]1C[C@@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ccncn1 |r|
CNCCOc1cccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CS(=O)(=O)c1cccc(c1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Cc1ccnc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CNC(=O)c1ccnc(c1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
OCCn1ccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
OCc1cccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
C[C@H]1C[C@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1cccc(CO)n1 |r|
C[C@H]1C[C@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ncc(s1)S(C)(=O)=O |r|
CC(=O)c1cnc(o1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
C[C@H]1C[C@H](CN(CC2CC2(F)F)C1)Nc1c(cnc2[nH]ccc12)-c1nccs1 |r|
C[C@H]1C[C@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1nncs1 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cccnc3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cnccn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cccnc3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3cc(cs3)C(=O)NCc3ncccn3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
Fc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C2C[C@H]2C(=O)Nc2ccc3cncc(Cl)c3c2)nc1 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1cccnc1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NC1CCNCC1 |r|
Fc1cnc(NS(=O)(=O)c2ccc(cc2)C2C[C@H]2C(=O)Nc2ccc3cncc(C#N)c3c2)nc1 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ncc(cn3)C3CCNCC3)cc12 |r|
CCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3nccs3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cccnn3)cc12 |r|
CCCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
NCc1ccnc(NS(=O)(=O)c2ccc(cc2)C2CC2C(=O)Nc2ccc3cncc(Cl)c3c2)c1
O=C(Nc1ccc2cncc(C3CC3)c2c1)[C@@H]1C[C@H]1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r|
Fc1ccc(NS(=O)(=O)c2ccc(cc2)[C@@H]2C[C@H]2C(=O)Nc2cc3c(Cl)cncc3s2)nc1 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3nccs3)cc12 |r|
CCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
FC1(F)CNCCC1NS(=O)(=O)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)Nc1ccc2cncc(Cl)c2c1 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NCC3CCCCN3)cc12 |r|
Cc1nccc2cc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)ccc12 |r|
CCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCNC3)cc12 |r|
O=C(Nc1ccc2cncc(CC#N)c2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |r|
FC(F)(F)Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
FC(F)(F)Oc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
CCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
CCc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ncc(cn3)C3CCNCC3)cc12 |r|
COc1nccc2cc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)ccc12 |r|
FC(F)(F)Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(c3)C(=O)NCc3ncccn3)cc12 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCNC3)cc12 |r|
O=C(Nc1ccc2cncc(C#N)c2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NC[C@@H]1CCCNC1 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3cncc(n3)C3CCNCC3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCNC3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCNC3)cc12 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1cccnn1 |r|
NC(=N)NS(=O)(=O)c1ccc(cc1)C1C[C@H]1C(=O)Nc1ccc2cnccc2c1 |r|
CCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3cncc(n3)C3=CCNCC3)cc12 |r,t:34|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ncc(cn3)C3CCNCC3)cc12 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
Fc1cc(ccc1S(=O)(=O)Nc1ccccn1)C1C[C@H]1C(=O)Nc1ccc2cnccc2c1 |r|
O=C(Nc1ccc2cncc(C#N)c2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccc(F)cn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)NC3CCNC3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)NC3CCCNC3)cc12 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
FC1(F)CC1C(=O)NC1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |c:12|
CC1(CC1(F)F)C(=O)NC1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |c:13|
FC1CC1C(=O)N[C@@H]1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,c:11|
FC1CC1C(=O)N[C@H]1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,c:11|
O=C(Nc1nc2cccc(C3=CCC(CC3)NC(=O)C3(CC3)C#N)n2n1)C1CC1 |t:10|
O=C(NC1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12)C1CC1 |c:6|
FC1(F)C[C@H]1C(=O)N[C@H]1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,c:12|
FC1(F)C[C@@H]1C(=O)N[C@H]1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,c:12|
FC1(F)C[C@H]1C(=O)N[C@@H]1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,c:12|
FC1(F)C[C@@H]1C(=O)N[C@@H]1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,c:12|
FC1(F)CC1C(=O)NC1CCC(CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |(7.3,7.21,;5.77,7.09,;6.26,5.63,;4.36,6.17,;4.36,7.71,;3.12,8.62,;3.28,10.15,;1.71,7.99,;1.71,6.45,;3.04,5.68,;3.04,4.14,;1.71,3.37,;.37,4.14,;.37,5.68,;1.71,1.83,;3.04,1.06,;3.04,-.48,;1.71,-1.25,;.37,-.48,;-1.09,-.95,;-2,.29,;-3.54,.29,;-4.31,-1.04,;-3.54,-2.38,;-5.85,-1.04,;-6.99,-.01,;-7.25,-1.67,;-1.09,1.54,;.37,1.06,)|
FC1(CC1)C(=O)NC1CCC(CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |(5.13,9.05,;4.36,7.71,;4.36,6.17,;5.77,7.09,;3.12,8.62,;3.28,10.15,;1.71,7.99,;1.71,6.45,;3.04,5.68,;3.04,4.14,;1.71,3.37,;.37,4.14,;.37,5.68,;1.71,1.83,;3.04,1.06,;3.04,-.48,;1.71,-1.25,;.37,-.48,;-1.09,-.95,;-2,.29,;-3.54,.29,;-4.31,-1.04,;-3.54,-2.38,;-5.85,-1.04,;-6.99,-.01,;-7.25,-1.67,;-1.09,1.54,;.37,1.06,)|
FC1(CC1)C(=O)NC1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |c:11|
FC1(F)CC1C(=O)N1CC=C(C1)c1cccc2nc(NC(=O)C3CC3)nn12 |c:10|
FC1(CC1)C(=O)N1CC=C(C1)c1cccc2nc(NC(=O)C3CC3)nn12 |c:9|
FC1CC1(F)C(=O)N1CC=C(C1)c1cccc2nc(NC(=O)C3CC3)nn12 |c:10|
FC1(F)C[C@H]1C(=O)N[C@H]1CCC(CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wU:4.5,8.8,(7.32,7.49,;5.78,7.37,;6.28,5.91,;4.38,6.45,;4.38,7.99,;3.04,8.76,;3.04,10.3,;1.71,7.99,;1.71,6.45,;3.04,5.68,;3.04,4.14,;1.71,3.37,;.37,4.14,;.37,5.68,;1.71,1.83,;3.04,1.06,;3.04,-.48,;1.71,-1.25,;.37,-.48,;-1.09,-.95,;-2,.29,;-3.54,.29,;-4.31,-1.04,;-3.54,-2.38,;-5.85,-1.04,;-6.99,-.01,;-7.25,-1.67,;-1.09,1.54,;.37,1.06,)|
FC1(F)C[C@@H]1C(=O)N[C@H]1CCC(CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wU:8.8,wD:4.5,(7.32,7.49,;5.78,7.37,;6.28,5.91,;4.38,6.45,;4.38,7.99,;3.04,8.76,;3.04,10.3,;1.71,7.99,;1.71,6.45,;3.04,5.68,;3.04,4.14,;1.71,3.37,;.37,4.14,;.37,5.68,;1.71,1.83,;3.04,1.06,;3.04,-.48,;1.71,-1.25,;.37,-.48,;-1.09,-.95,;-2,.29,;-3.54,.29,;-4.31,-1.04,;-3.54,-2.38,;-5.85,-1.04,;-6.99,-.01,;-7.25,-1.67,;-1.09,1.54,;.37,1.06,)|
FC1(F)C[C@H]1C(=O)N[C@H]1CCC(CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wU:4.5,wD:8.8,(7.32,7.49,;5.78,7.37,;6.28,5.91,;4.38,6.45,;4.38,7.99,;3.04,8.76,;3.04,10.3,;1.71,7.99,;1.71,6.45,;.37,5.68,;.37,4.14,;1.71,3.37,;3.04,4.14,;3.04,5.68,;1.71,1.83,;3.04,1.06,;3.04,-.48,;1.71,-1.25,;.37,-.48,;-1.09,-.95,;-2,.29,;-3.54,.29,;-4.31,-1.04,;-3.54,-2.38,;-5.85,-1.04,;-6.99,-.01,;-7.25,-1.67,;-1.09,1.54,;.37,1.06,)|
FC1(F)C[C@@H]1C(=O)N[C@H]1CCC(CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wD:4.5,8.8,(7.32,7.49,;5.78,7.37,;6.28,5.91,;4.38,6.45,;4.38,7.99,;3.04,8.76,;3.04,10.3,;1.71,7.99,;1.71,6.45,;.37,5.68,;.37,4.14,;1.71,3.37,;3.04,4.14,;3.04,5.68,;1.71,1.83,;3.04,1.06,;3.04,-.48,;1.71,-1.25,;.37,-.48,;-1.09,-.95,;-2,.29,;-3.54,.29,;-4.31,-1.04,;-3.54,-2.38,;-5.85,-1.04,;-6.99,-.01,;-7.25,-1.67,;-1.09,1.54,;.37,1.06,)|
FC1(CC1)C(=O)NC1CCC(CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |(5.07,9.36,;4.38,7.99,;4.38,6.45,;5.78,7.37,;3.04,8.76,;3.04,10.3,;1.71,7.99,;1.71,6.45,;3.04,5.68,;3.04,4.14,;1.71,3.37,;.37,4.14,;.37,5.68,;1.71,1.83,;3.04,1.06,;3.04,-.48,;1.71,-1.25,;.37,-.48,;-1.09,-.95,;-2,.29,;-3.54,.29,;-4.31,-1.04,;-3.54,-2.38,;-5.85,-1.04,;-6.99,-.01,;-7.25,-1.67,;-1.09,1.54,;.37,1.06,)|
FC1(F)CC1C(=O)N[C@H]1CCC(CC1)C1=CC=CC2=NC(NC(=O)C3CC3)SC12 |r,wD:8.8,c:18,t:16,20,(7.32,7.49,;5.78,7.37,;6.28,5.91,;4.38,6.45,;4.38,7.99,;3.04,8.76,;3.04,10.3,;1.71,7.99,;1.71,6.45,;.37,5.68,;.37,4.14,;1.71,3.37,;3.04,4.14,;3.04,5.68,;1.71,1.83,;3.04,1.06,;3.04,-.48,;1.71,-1.25,;.37,-.48,;-1.09,-.95,;-2,.29,;-3.54,.29,;-4.31,-1.04,;-3.54,-2.38,;-5.85,-1.04,;-6.99,-.01,;-7.25,-1.67,;-1.09,1.54,;.37,1.06,)|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(n1)C1CCOCC1 |r,TLB:2:5:7.8.9:12.13.11|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(n1)C1CCOC(C)(C)C1 |r,TLB:2:5:7.8.9:12.13.11|
COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(n1)C1CCOCC1 |r,TLB:2:4:6.7.8:11.12.10|
CN([C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)CC1CC1)c1nc(Nc2cc(C)[nH]n2)cc(n1)C1CCOCC1 |r,TLB:11:10:7.6.5:2.9.3|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(n1)C1CCOC1 |r,TLB:2:5:9.8.7:12.11.13|
COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(n1)C1CCOC1 |r,TLB:2:4:8.7.6:11.10.12|
CN([C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)CC1CC1)c1nc(Nc2cc(C)[nH]n2)cc(n1)C1CCOC1 |r,TLB:11:10:7.6.5:2.9.3|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(n1)C1CCCO1 |r,TLB:2:5:9.8.7:12.11.13|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(n1)[C@H]1CCCO1 |r,TLB:2:5:9.8.7:12.11.13|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(n1)[C@@H]1CCCO1 |r,TLB:2:5:9.8.7:12.11.13|
COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(n1)C1CCCO1 |r,TLB:2:4:8.7.6:11.10.12|
CN([C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)CC1CC1)c1nc(Nc2cc(C)[nH]n2)cc(n1)C1CCCO1 |r,TLB:11:10:7.6.5:2.9.3|
COCCOC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(n1)C1CCCO1 |r,TLB:5:7:11.10.9:14.13.15|
CN([C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)OC1CCOCC1)c1nc(Cl)cc(Nc2cc(C)[nH]n2)n1 |r,TLB:11:10:7.6.5:2.9.3|
CCNC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(n1)C1CCCO1 |r,$;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,TLB:5:6:10.9.8:13.12.14|
CN([C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)N1CCCC1)c1nc(Nc2cc(C)[nH]n2)cc(n1)C1CCCO1 |r,TLB:11:10:7.6.5:2.9.3|
CCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(O[C@@H]2CCOC2)n1 |r,TLB:2:4:8.7.6:11.10.12|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Cl)cc(O[C@@H]2CCOC2)n1 |r,TLB:2:5:9.8.7:12.11.13|
CN([C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)N1CCCC1)c1nc(Nc2cc(C)[nH]n2)cc(O[C@@H]2CCOC2)n1 |r,TLB:11:10:7.6.5:2.9.3|
CCNC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(O[C@@H]2CCOC2)n1 |r,TLB:5:6:10.9.8:13.12.14|
CN([C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)OC1CCOCC1)c1nc(Nc2cc(C)[nH]n2)cc(O[C@@H]2CCOC2)n1 |r,TLB:11:10:7.6.5:2.9.3|
COCCOC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(O[C@@H]2CCOC2)n1 |r,TLB:5:7:11.10.9:14.13.15|
COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(O[C@@H]2CCOC2)n1 |r,TLB:2:4:8.7.6:11.10.12|
CCOC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(O[C@@H]2CCOC2)n1 |r,TLB:3:5:9.8.7:12.11.13|
COCCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(O[C@@H]2CCOC2)n1 |r,TLB:4:6:10.9.8:13.12.14|
CN([C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)CC1CC1)c1nc(Nc2cc(C)[nH]n2)cc(O[C@@H]2CCOC2)n1 |r,TLB:11:10:7.6.5:2.9.3|
COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(O[C@H]2CCOC2)n1 |r,TLB:2:4:8.7.6:11.10.12|
CCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(O[C@H]2CCOC2)n1 |r,TLB:2:4:8.7.6:11.10.12|
COCCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(O[C@H]2CCOC2)n1 |r,TLB:4:6:10.9.8:13.12.14|
CN([C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)CC1CC1)c1nc(Nc2cc(C)[nH]n2)cc(O[C@H]2CCOC2)n1 |r,TLB:11:10:7.6.5:2.9.3|
CN([C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)N1CCCC1)c1nc(Nc2cc(C)[nH]n2)cc(O[C@H]2CCOC2)n1 |r,TLB:11:10:7.6.5:2.9.3|
CCNC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(O[C@H]2CCOC2)n1 |r,TLB:5:6:10.9.8:13.12.14|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(O[C@H]2CCOC2)n1 |r,TLB:2:5:9.8.7:12.11.13|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(NC2NNC(C)=C2)cc(OC2COC2)n1 |r,c:26,TLB:2:5:9.8.7:12.11.13|
CN([C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)CC1CC1)c1nc(Nc2cc(C)[nH]n2)cc(OC2COC2)n1 |r,TLB:11:10:7.6.5:2.9.3|
COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(OC2COC2)n1 |r,TLB:2:4:8.7.6:11.10.12|
CCNC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(OC2COC2)n1 |r,TLB:5:6:10.9.8:13.12.14|
CN([C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)N1CCCC1)c1nc(Nc2cc(C)[nH]n2)cc(OC2COC2)n1 |r,TLB:11:10:7.6.5:2.9.3|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(OCC2COC2)n1 |r,TLB:2:5:9.8.7:12.11.13|
CN([C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)CC1CC1)c1nc(Cl)cc(OCC2COC2)n1 |r,TLB:11:10:7.6.5:2.9.3|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(COS(C)(=O)=O)c(F)c(Nc2cc(C)[nH]n2)n1 |r,TLB:2:5:9.8.7:12.11.13|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(CO[C@H]2CCOC2)c(F)c(Nc2cc(C)[nH]n2)n1 |r,TLB:2:5:9.8.7:12.11.13|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(CO[C@@H]2CCOC2)c(F)c(Nc2cc(C)[nH]n2)n1 |r,TLB:2:5:9.8.7:12.11.13|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)c(F)c(n1)C1CCOC1 |r,TLB:2:5:9.8.7:12.11.13|
CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)c(F)c(n1)C1CCOCC1 |r,TLB:2:5:9.8.7:12.11.13|
CCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(C)[nH]n2)cc(OC2CCOC2)n1 |r,TLB:2:4:8.7.6:11.10.12|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(N(C)Cc2[nH]1)C(=O)N1CC(C1)N1CCCC1
CCN1Cc2[nH]c(nc2CC1C(=O)N1CC(C1)N1CCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
CCCN1Cc2[nH]c(nc2CC1C(=O)N1CC(C1)N1CCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N1CCCC1
CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N1CCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CC[C@H](Cn1ccc2cnc(Nc3cnn(CC(=O)O[C@@H]4C[C@H](N(C)C4)C(=O)OC)c3)nc12)C(C)C |r|
CCC(CC)Cn1ccc2cnc(Nc3cnn(CC(=O)O[C@@H]4C[C@H](N(C)C4)C(=O)OC)c3)nc12 |r|
CCOC(=O)[C@@H]1C[C@H](CN1C)OC(=O)Cn1cc(Nc2ncc3ccn(C[C@@H](CC)C(C)C)c3n2)cn1 |r|
CC[C@H](Cn1ccc2cnc(Nc3cnn(CC(=O)O[C@@H]4C[C@H](N(C)C4)C(=O)OC(C)C)c3)nc12)C(C)C |r|
CC[C@H](Cn1ccc2cnc(Nc3cnn(CC(=O)O[C@@H]4C[C@H](N(C)C4)C(O)=O)c3)nc12)C(C)C |r|
CNC(=O)c1cc(n[nH]1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)OC |r,wU:23.26,wD:28.34,(7.76,-5.97,;6.23,-6.13,;5.32,-4.88,;5.95,-3.48,;3.79,-5.04,;2.76,-3.9,;1.35,-4.53,;1.51,-6.06,;3.02,-6.38,;.02,-3.76,;-1.31,-4.53,;-2.65,-3.76,;-4.11,-4.23,;-5.02,-2.99,;-4.11,-1.74,;-2.65,-2.22,;-1.31,-1.45,;.02,-2.22,;-1.31,.09,;-.07,1,;-.54,2.46,;-2.08,2.46,;-2.56,1,;-2.99,3.71,;-1.45,3.71,;-.68,5.04,;.09,6.38,;-4.32,2.94,;-5.09,4.27,;-3.76,5.04,;-6.43,5.04,;-7.76,4.27,)|
CS(=N)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CCS(=N)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
N=S(=O)(N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccccc1
CC(C)S(=N)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
N=S(=O)(C1CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CN=S(C)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CC(N=S(C)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccccc1
CC(C)N=S(C)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CN=S(=O)(C1CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CCN=S(=O)(C1CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
O=S(=NC1CC1)(C1CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CCS(=O)(=NC1CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CCS(=O)(=NC)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(cc1F)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FCCCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)C3CCCCC3)cc2)c2cc[nH]c2n1)C1CC1
FCCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)C3CCS(=O)(=O)CC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(NS(=O)(=O)C3CCS(=O)(=O)C3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(NS(=O)(=O)C3CS(=O)(=O)C3)cc2)c2cc[nH]c2n1)C1CC1
Clc1ccc(cn1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cn1cncc1S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cn1cc(cn1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
NC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(=O)N1CCC(CC1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(NS(=O)(=O)c3ccc4OCCc4c3)cc2)c2cc[nH]c2n1)C1CC1
COc1ccc(cn1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)c2cc[nH]c2n1)C1CC1
Fc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CSc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(c(C)c1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(c(F)c1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1Br)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(Br)ccc1S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)c3ccc4OCOc4c3)cc2)c2cc[nH]c2n1)C1CC1
CCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2C)nc2[nH]ccc12
Fc1ccc(CS(=O)(=O)Nc2ccc(cc2)-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)cc1
CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)c3ccc4OCCOc4c3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(NS(=O)(=O)c3ccc(cc3)-n3cnnn3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(NS(=O)(=O)c3ccc(nc3)C#N)cc2)c2cc[nH]c2n1)C1CC1
CC(C)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCC(CC)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)CS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)(C)CS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)CCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)CC3CC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(NS(=O)(=O)CC3CCCCC3)cc2)c2cc[nH]c2n1)C1CC1
C=CCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)CS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)CCCC#N)cc2)c2cc[nH]c2n1)C1CC1
CCOCCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)CC3CCOC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(NS(=O)(=O)CC3CCOCC3)cc2)c2cc[nH]c2n1)C1CC1
CS(=O)(=O)CCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)C3CC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(NS(=O)(=O)C3CCC3)cc2)c2cc[nH]c2n1)C1CC1
CCS(=O)(=O)Nc1ccc(cc1C#N)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)C2CC2)nc2n(C)ccc12
CCCn1ccc2c(cc(NC(=O)C3CC3)nc12)-c1ccc(NS(=O)(=O)CC)c(F)c1
CCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)C2CC2)nc2n(CC#N)ccc12
CCCS(=O)(=O)Nc1ccc(cc1Cl)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1C)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1ccc(cc1C)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)C1CCCCC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)C1CC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)CC1CCCCC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)CC=C)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)CC1CCOC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)CC1CCOCC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]c(C)cc12
CC(C)CS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FCCCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)CCCC#N)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)C1CCC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)(C)CS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)CC1CC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1c(F)cc(cc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1c(F)cc(cc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1cc(F)c(cc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1cc(F)c(cc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)CC1(CC1)C#N)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)CC1(CC#N)CC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)(CCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C#N
O=C(Nc1cc(-c2ccc(NS(=O)(=O)CC3(CC3)C#N)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(NS(=O)(=O)CC3(CC#N)CC3)cc2)c2cc[nH]c2n1)C1CC1
Cc1cc(NS(=O)(=O)C2CC2)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cc1cc(NS(=O)(=O)C2CCC2)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cc1cc(NS(=O)(=O)CC2CC2)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]cc(C)c12
CCCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]cc(C)c12
CCCS(=O)(=O)Nc1ccc(c(C)c1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cc1cc(NS(=O)(=O)CCCC#N)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)C2CC2)[n+]([O-])c2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1C(F)(F)F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCc1cc(NS(=O)(=O)CC)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1ccc(c(C)c1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(c(C)c1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cc1cc(NS(=O)(=O)CC2(CC2)C#N)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cc1cc(NS(=O)(=O)CC2(CC#N)CC2)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(c(F)cc1NS(=O)(=O)CCCC#N)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(c(F)cc1NS(=O)(=O)CC1(CC1)C#N)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(c(F)cc1NS(=O)(=O)CC1(CC#N)CC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(cc(F)c1NS(=O)(=O)CC1(CC1)C#N)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(cc(F)c1NS(=O)(=O)CC1(CC#N)CC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCc1cc(NS(=O)(=O)CC2(CC2)C#N)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCc1cc(NS(=O)(=O)CC2(CC#N)CC2)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCc1cc(NS(=O)(=O)CCCC#N)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCc1cc(NS(=O)(=O)C2CCCCC2)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCc1cc(NS(=O)(=O)C2CC2)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCc1cc(NS(=O)(=O)C2CCC2)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1ccc(c(CC)c1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCCS(=O)(=O)Nc1ccc(c(CC)c1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cc1cc(NS(=O)(=O)CCCC(F)(F)F)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)(F)c1cc(NS(=O)(=O)C2CC2)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1ccc(-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)c(c1)C(F)(F)F
FC(F)(F)c1cc(NS(=O)(=O)C2CCC2)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(cc1F)S(=O)(=O)Nc1ccc(-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)c(c1)C(F)(F)F
Fc1cccc(c1)S(=O)(=O)Nc1ccc(-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)c(c1)C(F)(F)F
CCc1cc(ccc1NS(=O)(=O)CC1(CC1)C#N)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCc1cc(ccc1NS(=O)(=O)CC)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCc1cc(ccc1NS(=O)(=O)C1CC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1ccc(cc1CC)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCCS(=O)(=O)Nc1ccc(cc1CC)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCc1cc(ccc1NS(=O)(=O)C1CCC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CS(=O)(=O)Nc1ccc(cc1-c1ccccc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)C3CC3)c(c2)-c2ccccc2)c2cc[nH]c2n1)C1CC1
CCS(=O)(=O)Nc1ccc(c(C)c1C)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1ccc(c(C)c1C)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cc1c(NS(=O)(=O)C2CC2)ccc(c1C)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(c(C)c1)-c1cc(NC(=O)C2CC2)[n+]([O-])c2[nH]ccc12
CCc1cc(ccc1NS(=O)(=O)CC)-c1cc(NC(=O)C2CC2)[n+]([O-])c2[nH]ccc12
Cc1c(C)c(ccc1NS(=O)(=O)C1CC1)-c1cc(NC(=O)C2CC2)[n+]([O-])c2[nH]ccc12
CCc1cc(NS(=O)(=O)CC2(CC2)C#N)ccc1-c1cc(NC(=O)C2CC2)[n+]([O-])c2[nH]ccc12
CCc1cc(cc(CC)c1NS(=O)(=O)CC1(CC1)C#N)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCc1cc(cc(CC)c1NS(=O)(=O)c1ccc(F)c(F)c1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(c(c1)C(=O)OC)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1ccc(c(c1)C(=O)OC)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
COC(=O)c1cc(NS(=O)(=O)CC2(CC2)C#N)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
OC(=O)c1cc(NS(=O)(=O)CC2(CC2)C#N)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(c(c1)C#N)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1ccc(c(c1)C#N)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(cc1F)S(=O)(=O)Nc1ccc(c(c1)C#N)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)CC3(CC3)C#N)cc2C#N)c2cc[nH]c2n1)C1CC1
CCS(=O)(=O)Nc1ccc(cn1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(nc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1ccc(nc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:9|
CCCS(=O)(=O)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
FC(F)(F)S(=O)(=O)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:11|
O=C(Nc1cc(C2=CCC(CC2)NS(=O)(=O)C2CC2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCC(CC2)NS(=O)(=O)CCC#N)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCC(CC2)NS(=O)(=O)CC2(CC#N)CC2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCC(CC2)NS(=O)(=O)CC2(CC2)C#N)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCC(CC2)NS(=O)(=O)CCCC#N)c2cc[nH]c2n1)C1CC1 |t:6|
FCCCS(=O)(=O)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:11|
C=CCS(=O)(=O)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
O=C(Nc1cc(C2=CCC(CC2)NS(=O)(=O)CC2CC2)c2cc[nH]c2n1)C1CC1 |t:6|
Fc1ccc(cc1F)S(=O)(=O)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:16|
Fc1cccc(c1)S(=O)(=O)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:15|
O=C(Nc1cc(C2=CCC(CC2)NS(=O)(=O)c2ccc(cc2)C#N)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCC(CC2)NS(=O)(=O)C2CCC2)c2cc[nH]c2n1)C1CC1 |t:6|
CCS(=O)(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:8|
FCCCS(=O)(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
O=C(Nc1cc(C2=CCN(CC2)S(=O)(=O)C2CC2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCN(CC2)S(=O)(=O)CC2CCOCC2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCN(CC2)S(=O)(=O)CCCC#N)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCN(CC2)S(=O)(=O)CC2(CC#N)CC2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCN(CC2)S(=O)(=O)CC2(CC2)C#N)c2cc[nH]c2n1)C1CC1 |t:6|
Fc1ccc(cc1F)S(=O)(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:15|
CCS(=O)(=O)N1C2CCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:11|
FCCCS(=O)(=O)N1C2CCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:13|
CCCS(=O)(=O)N1C2CCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:12|
O=C(Nc1cc(C2=CC3CCC(C2)N3S(=O)(=O)C2CC2)c2cc[nH]c2n1)C1CC1 |t:6|
Fc1ccc(cc1F)S(=O)(=O)N1C2CCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:18|
CCS(=O)(=O)N1CC=C(c2cc(NC(=O)C3CC3)nc3[nH]ccc23)C(C)(C)C1 |t:7|
CC1(C)CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)S(=O)(=O)CCCC#N |c:6|
Fc1ccc(cc1F)S(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1nc(-c2ccc(NS(=O)(=O)C3CCCCC3)cc2)c2cc[nH]c2n1)C1CC1
FC(F)(F)CCCS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
FCCCS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1nc(-c2ccc(NS(=O)(=O)CCCC#N)cc2)c2cc[nH]c2n1)C1CC1
Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CCCCS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CN(c1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12)S(=O)(=O)c1ccc(F)c(F)c1
FC(F)(F)CCS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1nc(-c2ccc(NS(=O)(=O)C3CCS(=O)(=O)CC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1nc(-c2ccc(NS(=O)(=O)C3CCS(=O)(=O)C3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1nc(-c2ccc(NS(=O)(=O)c3ccc(nc3)C#N)cc2)c2cc[nH]c2n1)C1CC1
Cn1cncc1S(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
Cn1cc(cn1)S(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
NC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CS(=O)(=O)Nc1ccc(cc1F)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1F)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
FCCCS(=O)(=O)Nc1ccc(cc1F)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)CCCC#N)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(cc1F)S(=O)(=O)Nc1ccc(cc1F)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Nc1ccc(cc1F)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]cnc12
Fc1ccc(cc1F)S(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]cnc12
CCS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]cnc12
O=C(Nc1nc(-c2ccc(NS(=O)(=O)CCCC#N)cc2)c2nc[nH]c2n1)C1CC1
FC(F)(F)CCCS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]cnc12
CCCS(=O)(=O)N1CC=C(C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:8|
O=C(Nc1cc(C2=CCN(C2)S(=O)(=O)CC2(CC2)C#N)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(-c2ccc(NS(=O)(=O)N3CCOCC3)cc2)c2cc[nH]c2n1)C1CC1
CCN(C)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCN(CC)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CN(C1CC1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)N3CCCC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(NS(=O)(=O)N3CCCCC3)cc2)c2cc[nH]c2n1)C1CC1
CC1CN(CC(C)O1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)N3CC(C3)C#N)cc2)c2cc[nH]c2n1)C1CC1
CC(C)N(C)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
COCCN(C)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)N1CCCCC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)N1CCCC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1NS(=O)(=O)N1CCOCC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cc1cc(NS(=O)(=O)NCC(F)(F)F)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CN(CC(F)(F)F)S(=O)(=O)Nc1ccc(c(C)c1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NS(=O)(=O)N3CCS(=O)(=O)CC3)cc2)c2cc[nH]c2n1)C1CC1
CS(=O)(=O)N1CCN(CC1)S(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(C2=CCC(CC2)NS(=O)(=O)N2CCOCC2)c2cc[nH]c2n1)C1CC1 |t:6|
FC(F)(F)CNS(=O)(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:12|
CN(CC(F)(F)F)S(=O)(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:13|
O=C(Nc1cc(C2=CCN(CC2)S(=O)(=O)N2CCOCC2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1nc(-c2ccc(NS(=O)(=O)N3CCOCC3)cc2)c2cc[nH]c2n1)C1CC1
CN(C)S(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CC1CN(CC(C)O1)S(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1nc(-c2ccc(NS(=O)(=O)N3CCOCC3)cc2)c2nc[nH]c2n1)C1CC1
O=C(CC#N)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cc1cc(NC(=O)CC#N)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CC1(CC1)C#N)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCC(=O)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:8|
O=C(Nc1cc(C2=CCC(CC2)NC(=O)c2ccccc2)c2cc[nH]c2n1)C1CC1 |t:6|
CC1CC1C(=O)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:11|
O=C(Nc1cc(C2=CCC(CC2)NC(=O)C2CCCC2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C1CC1 |c:6|
O=C(CC#N)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:9|
FC(F)(F)CCC(=O)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:12|
O=C(Nc1cc(C2=CCN(CC2)C(=O)C2CCS(=O)(=O)CC2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(CC#N)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:8|
O=C(CN1CCS(=O)(=O)CC1)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:15|
O=C(CCC#N)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:9|
FC(F)(F)CC(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
FC(F)(F)CCC(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:11|
O=C(CCC#N)N1C2CCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:12|
O=C(Nc1cc(C2=CC3CCC(C2)N3C(=O)C2CC2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(CC#N)N1C2CCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:11|
FC(F)(F)CCC(=O)N1C2CCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:14|
O=C(Nc1cc(C2=CCN(CC2)C(=O)C2(CC2)C#N)c2cc[nH]c2n1)C1CC1 |t:6|
FC1(F)CC(C1)C(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:12|
FC(F)(F)CC(=O)N1C2CCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:13|
FC1(F)CC1C(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:11|
O=C(Nc1cc(C2=CCN(CC2)C(=O)C2CC2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(CCCC#N)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
C=CC(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:7|
O=C(Nc1cc(C2=CCN(CC2)C(=O)[C@@H]2C[C@@H]2C#N)c2cc[nH]c2n1)C1CC1 |r,t:6|
O=C(CC1(CC1)C#N)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:12|
CC(C#N)C(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:9|
C=CCC(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:8|
CCC(C#N)C(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
FC(F)(F)C(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:9|
CC1CC1C(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
FC1CC1C(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
[O-][n+]1c(NC(=O)C2CC2)cc(C2=CCN(CC2)C(=O)CC#N)c2cc[nH]c12 |t:12|
Fc1ccc(CC(=O)N2CCC(=CC2)c2cc(NC(=O)C3CC3)nc3[nH]ccc23)cc1F |c:11|
O=C(Nc1cc(C2=CCN(CC2)C(=O)c2ccncc2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCN(CC2)C(=O)c2ccoc2)c2cc[nH]c2n1)C1CC1 |t:6|
Fc1ccc(cc1)C(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:13|
CN1CCC(C1)C(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:12|
CN(C)CC(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:9|
FC(F)(F)C1CC1C(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:13|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CC#N |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CCC#N |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CCCC#N |c:5|
O=C(Nc1cc(C2=CCN(CC2)C(=O)c2cnon2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCN(CC2)C(=O)c2cnoc2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCN(CC2)C(=O)c2ccno2)c2cc[nH]c2n1)C1CC1 |t:6|
Cc1c(NC(=O)C2CC2)nc2[nH]ccc2c1C1=CCN(CC1)C(=O)CC#N |t:19|
Cc1c(NC(=O)C2CC2)nc2[nH]ccc2c1C1=CCN(CC1)C(=O)CC(F)(F)F |t:19|
O=C(Nc1cc(C2=CCN(CC2)C(=O)c2cscn2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCN(CC2)C(=O)c2cnsc2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCN(CC2)C(=O)c2ccc(cc2)C#N)c2cc[nH]c2n1)C1CC1 |t:6|
CCC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CC#N |c:6|
CCC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CCC#N |c:6|
CC1=C(CCN(C1)C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |t:1|
BrCC(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:7|
ClCC(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:7|
CC1(C)CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CC#N |c:6|
CC1(C)CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CCC#N |c:6|
O=C(CC#N)N1CCC(=CC1)c1cc(NC(=O)c2ccco2)nc2[nH]ccc12 |c:8|
O=C(CCC#N)N1CC=C(c2cc(NC(=O)C3CC3)nc3[nH]ccc23)C2(CC2)C1 |t:8|
O=C(CC#N)N1CC=C(c2cc(NC(=O)C3CC3)nc3[nH]ccc23)C2(CC2)C1 |t:7|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CC#N |r,c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cnc(C)s1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1sc(C)nc1C |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1scnc1C |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccnc(F)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccnc(Cl)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc(F)c(F)c1 |c:5|
COc1ccc(cc1F)C(=O)N1CC=C(C(C)C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:14|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc[nH]1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccncc1F |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cccc(CCN2C(=O)COCC2=O)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cccc(Nc2ccccc2)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc([nH]c1=O)-c1ccc(F)cc1F |c:5|
COC(=O)C1(CCC1)C(=O)N1CC=C(C(C)C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:13|
COC(=O)C1(CC1)C(=O)N1CC=C(C(C)C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:12|
COC(=O)C(C)C(=O)N1CC=C(C(C)C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc([nH]c1=O)C(C)(C)C |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc([nH]c1=O)-c1ccc(F)cc1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc(NCCN2CCOCC2)c(F)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cncc(Br)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc2OCCOc2c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc2OCOc2c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc2cc[nH]c2c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccnc2[nH]ccc12 |c:5|
COc1ccc(cc1OC)C(=O)N1CC=C(C(C)C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:15|
COc1cccc(c1)C(=O)N1CC=C(C(C)C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:13|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc(cc1)[N+]([O-])=O |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cccc(c1)C(C)=O |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc(Cl)cc1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cccc(Br)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc(Cl)nc1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccncc1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cccc(Br)n1 |c:5|
CC(Br)CC(=O)N1CC=C(C(C)C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:8|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)\C=C\CCBr |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CC1CCCC1 |c:5|
COc1ccc(CC(=O)N2CC=C(C(C)C2)c2cc(NC(=O)C3CC3)nc3[nH]ccc23)cc1 |c:11|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1sccc1C |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cnccn1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cnc(C)cn1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)Cc1cccs1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)Cc1cccc(F)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)Cc1cccc(Br)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CCl |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cccnc1Cl |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc(O)cc1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cc(Cl)cc(Cl)c1O |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cc2ccccc2o1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc(Cl)c(Cl)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc(cc1)S(C)(=O)=O |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc(F)cc1Cl |c:5|
COc1ccc(C(=O)N2CC=C(C(C)C2)c2cc(NC(=O)C3CC3)nc3[nH]ccc23)c(OC)c1 |c:10|
CSc1ccccc1C(=O)N1CC=C(C(C)C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:13|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cc(F)cc(F)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)C(Cc1ccc(F)cc1)C#N |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)C(Cc1ccccc1)C#N |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)C1(CCCC1)C#N |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CC(=O)N1CCOCC1 |c:5|
CC1CC(=CCN1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:3|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)Cc1ccccc1 |c:5|
Fc1cc(ccn1)C(=O)N1C2CCCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:17,TLB:7:9:16.15.17:11.13.12|
Clc1cc(ccn1)C(=O)N1C2CCCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:17,TLB:7:9:16.15.17:11.13.12|
Clc1ccc(cn1)C(=O)N1C2CCCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:17,TLB:7:9:16.15.17:13.11.12|
Fc1cnccc1C(=O)N1C2CCCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:17,TLB:7:9:16.15.17:13.11.12|
[O-][N+](=O)c1ccc(cc1)C(=O)N1C2CCCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:19,TLB:9:11:18.17.19:15.13.14|
Brc1cccc(c1)C(=O)N1C2CCCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:17,TLB:7:9:16.15.17:13.11.12|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cc(Cl)nc(Cl)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cc(Cl)ncc1Cl |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1c(Cl)cncc1Cl |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cc(C)nc(Cl)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccncc1Cl |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccncc1O |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cccc(F)c1F |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccnc(C)c1 |c:5|
COc1ccc(cn1)C(=O)N1CC=C(C(C)C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:13|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccnc(N)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccnc(Br)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccnc(O)c1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccnc(c1)C(F)(F)F |c:5|
CC1(C)CC(=CCN1C(=O)c1ccnc(F)c1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:4|
CC1(C)CC(=CCN1C(=O)c1ccnc(Cl)c1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:4|
CC1(C)CC(=CCN1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:4|
C[C@@H]1C=C(CCN1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r,c:2|
C[C@@H]1CC(=CCN1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r,c:3|
C[C@H]1C=C(CCN1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r,c:2|
C[C@H]1CC(=CCN1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r,c:3|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccnc(c1)C#N |c:5|
FC(F)(F)C1CC(=CCN1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:6|
O=C(CC#N)N1C2CCCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:12,TLB:1:5:12.11.13:7.9.8|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccnc(F)c1 |r,c:5|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccnc(F)c1F |r,c:5|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cccc(Br)c1 |r,c:5|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc(cc1)[N+]([O-])=O |r,c:5|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccnc(Cl)c1 |r,c:5|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccc(Cl)nc1 |r,c:5|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CCl |r,c:5|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1ccncc1F |r,c:5|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)C(=Cc1cccs1)C#N |r,w:25.29,c:5|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)C(CC#N)=Cc1ccccc1 |r,w:28.32,c:5|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)c1cccn(C)c1=O |r,c:5|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CC1(CCCCC1)C#N |r,c:5|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)C1(CCOCC1)C#N |r,c:5|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)C(C#N)=C(C)C |r,wU:1.0,c:5,(-3.66,-1.17,;-2.33,-1.94,;-2.33,-3.48,;-.99,-4.25,;.34,-3.48,;.34,-1.94,;-.99,-1.17,;-.99,.37,;.34,1.14,;.34,2.68,;1.68,3.45,;1.68,4.99,;.34,5.76,;3.01,5.76,;3.78,7.1,;4.55,5.76,;-.99,3.45,;-2.33,2.68,;-3.79,3.16,;-4.7,1.91,;-3.79,.67,;-2.33,1.14,;-.99,-5.79,;.34,-6.56,;-2.33,-6.56,;-3.66,-5.79,;-4.99,-5.02,;-2.33,-8.1,;-.99,-8.87,;-3.66,-8.87,)|
CCC1CC(=CC(CC)N1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:4|
CC(C)C1CC(=CCN1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:5|
CCCC1C=C(CCN1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:4|
CC(C)(C)C1C=C(CCN1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:5|
CCC1CC(=CCN1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:4|
O=C(CC#N)N1CC=C(CC11CCC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:7|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)CC1(CC1)C#N |r,c:5|
CC[C@@H]1C=C(CCN1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r,c:3|
CC[C@H]1CC(=CCN1C(=O)CC#N)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r,c:4|
O=C(CCC#N)N1CCCC(=C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
O=C(CC#N)N1CCCC(=C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:9|
O=C(CC#N)N1CCC=C(C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:8|
O=C(CCC#N)N1CCC=C(C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:9|
O=C(CC#N)N1CCCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:9|
Fc1cc(ccn1)C(=O)N1CCCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:14|
Fc1nccc(C(=O)N2CCCC(=CC2)c2cc(NC(=O)C3CC3)nc3[nH]ccc23)c1F |c:12|
O=C(CC#N)N1CCC(=CC1)c1nc(NC(=O)C2CC2)nc2[nH]ccc12 |c:8|
O=C(CC#N)N1CC=C(C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:7|
O=C(CCC#N)N1CC=C(C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:8|
FC(F)(F)CC(=O)N1CC=C(C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:9|
FC(F)(F)CCC(=O)N1CC=C(C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
O=C(Nc1cc(C2=CCN(C2)C(=O)C2(CC2)C#N)c2cc[nH]c2n1)C1CC1 |t:6|
CCNC(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(NC(=O)N3CCOCC3)cc2)c2cc[nH]c2n1)C1CC1
CCCCNC(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)cc1
FC(F)(F)CNC(=O)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cc1cc(NC(=O)NCC(F)(F)F)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(NC1CC1)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CCNC(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CCCCNC(=O)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(NC(=O)C3CC3)nc3[nH]ccc23)cc1F
Fc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(NC(=O)C3CC3)nc3[nH]ccc23)cc1
FC(F)(F)CNC(=O)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:12|
FC(F)(F)CNC(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:11|
CCCCNC(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
O=C(Nc1cc(C2=CCN(CC2)C(=O)N2CCS(=O)(=O)CC2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCN(CC2)C(=O)N2CCOCC2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCN(CC2)C(=O)NCC#N)c2cc[nH]c2n1)C1CC1 |t:6|
FC(F)(F)CNC(=O)N1C2CCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:14|
CCCCNC(=O)N1C2CCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:13|
FC(F)(F)C(NC(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C1CC1 |c:11|
O=C(Nc1cc(C2=CCN(CC2)C(=O)n2ccnc2)c2cc[nH]c2n1)C1CC1 |t:6|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)n1ccnc1 |c:5|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)NCC(F)(F)F |c:5|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
O=C(Nc1cc(C2=CCN(CC2)C(=O)OCC#N)c2cc[nH]c2n1)C1CC1 |t:6|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)OC(C)(C)C |c:5|
Cc1c(NC(=O)C2CC2)nc2[nH]ccc2c1C1=CCN(CC1)C(=O)OC(C)(C)C |t:19|
CCC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)OC(C)(C)C |c:6|
CC(C)(C)OC(=O)N1CCCC(=C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:11|
CC(C)(C)OC(=O)N1CCC=C(C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
CC(C)(C)OC(=O)N1CC=C(C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:9|
CCNC(=S)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCCNC(=S)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1nc(-c2ccc(NC(=S)NC3CCCCC3)cc2)c2cc[nH]c2n1)C1CC1
CCCCNC(=S)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CCNC(=S)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CCCNC(=S)Nc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CCNC(=S)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:8|
CCNC(=S)N1C2CCC1C=C(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:11|
O=C(Nc1cc(-c2ccc(NCC3CC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(NCC3CCCCC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(NCc3ccccc3)cc2)c2cc[nH]c2n1)C1CC1
Fc1ccc(CNc2ccc(cc2)-c2nc(NC(=O)C3CC3)nc3[nH]ccc23)cc1
Fc1cccc(CNc2ccc(cc2)-c2nc(NC(=O)C3CC3)nc3[nH]ccc23)c1
Clc1ccc(CNc2ccc(cc2)-c2nc(NC(=O)C3CC3)nc3[nH]ccc23)cc1
OCCCNc1ccc(cc1)-c1nc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2cnn(CCC#N)c2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2cnn(CC3CC3)c2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2cnn(Cc3ccccc3)c2)c2cc[nH]c2n1)C1CC1
Cc1nn(CCC#N)c(C)c1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |(-.28,-3.69,;.81,-2.6,;2.27,-3.08,;3.18,-1.83,;4.67,-1.43,;5.76,-2.52,;7.24,-2.12,;8.73,-1.72,;2.27,-.58,;2.67,.9,;.81,-1.06,;-.52,-.29,;-1.86,-1.06,;-3.19,-.29,;-4.52,-1.06,;-5.86,-.29,;-5.86,1.25,;-7.19,-1.06,;-8.73,-1.06,;-7.96,-2.39,;-3.19,1.25,;-1.86,2.02,;-1.54,3.53,;-.01,3.69,;.62,2.28,;-.52,1.25,)|
O=C(Nc1cc(-c2cn(Cc3ccccc3)nn2)c2cc[nH]c2n1)C1CC1
O=C(Nc1nc(-c2cnn(Cc3ccc(nc3)C#N)c2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccn(CCC#N)c2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(C2=CCN(CCN3CCOCC3)C2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCN(CCC#N)C2)c2cc[nH]c2n1)C1CC1 |t:6|
O=C(Nc1cc(C2=CCN(CCC#N)CC2)c2cc[nH]c2n1)C1CC1 |t:6|
CC1(CN2CCC(=CC2)c2cc(NC(=O)C3CC3)nc3[nH]ccc23)COC1 |c:6|
O=C(Nc1cc(C2=CCN(Cc3ccns3)CC2)c2cc[nH]c2n1)C1CC1 |t:6|
FC1(F)CC1CN1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:10|
O=C(Nc1cc(C2=CCN(CC2)C2CC(C2)C#N)c2cc[nH]c2n1)C1CC1 |t:6,(7.74,.41,;6.97,1.75,;5.43,1.75,;4.66,.41,;3.12,.41,;2.35,-.92,;.81,-.92,;.04,-2.25,;-1.5,-2.25,;-2.27,-.92,;-1.5,.41,;.04,.41,;-3.81,-.92,;-4.9,.17,;-5.99,-.92,;-4.9,-2.01,;-7.53,-.92,;-9.07,-.92,;3.12,-2.25,;2.64,-3.72,;3.89,-4.62,;5.13,-3.72,;4.66,-2.25,;5.43,-.92,;7.74,3.08,;9.07,3.85,;7.74,4.62,)|
Fc1cc(F)cc(c1)C(=O)N1CCC(CC1)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:22|
O=C(Nc1cc(C2=CCC(CC2)NC2CCN(CC2)C(=O)C2CCCCC2)c2cc[nH]c2n1)C1CC1 |t:6|
Fc1cc(ccn1)C(=O)N1CCC(CC1)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:21|
[O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:23|
Fc1cc(F)cc(c1)C(=O)N1CC(C1)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:20|
Fc1cc(ccn1)C(=O)N1CC(C1)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:19|
COc1cc(ccn1)C(=O)N1CC(C1)NC1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:20|
Fc1cc(ccc1NC1CCN(CC1)C(=O)Nc1ccccc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(F)cc(c1)C(=O)N1CCC(CC1)Nc1ccc(cc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccn1)C(=O)N1CCC(CC1)Nc1ccc(cc1F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(NC(=O)N2CCC(CC2)Nc2ccc(cc2F)-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)c(F)c1
C[C@H]1CC(CCN1C(=O)c1cc(F)cc(F)c1)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
C[C@H]1CC(CCN1C(=O)c1ccnc(F)c1)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
C[C@H]1CC(CCN1C(=O)NCC(F)(F)F)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
Fc1cc(ccc1NC1CCN(CC1)C(=O)NCC(F)(F)F)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
C[C@H]1CC(CCN1C(=O)Nc1ccc(F)cc1F)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
O=C(Nc1cc(-c2ccc(NC3CCN(CC3)C(=O)c3ccncc3)cc2)c2cc[nH]c2n1)C1CC1
Fc1cc(F)cc(c1)C(=O)N1CCC(CC1)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccn1)C(=O)N1CCC(CC1)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(F)cc(c1)C(=O)N1CC(C1)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(NC(=O)N2CCC(CC2)Nc2ccc(cc2)-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)c(F)c1
FC(F)(F)CNC(=O)N1CCC(CC1)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(NC(=O)N2CC(C2)Nc2ccc(cc2)-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)c(F)c1
FC(F)(F)CNC(=O)N1CC(C1)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CC#N)N1CC(C1)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CC#N)N1CCC(CC1)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)(F)CC(=O)N1CC(C1)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)(F)CC(=O)N1CCC(CC1)Nc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CC#N)c1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(cc2)C(=O)N2CCS(=O)(=O)CC2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(cc2)C(=O)N2CCSCC2)c2cc[nH]c2n1)C1CC1
Cc1cc(ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)N1CCOCC1
O=C(Nc1cc(-c2ccc(cc2)C(=O)NCC#N)c2cc[nH]c2n1)C1CC1
FC(F)(F)CNC(=O)c1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cc1cc(ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)NCC(F)(F)F
Cc1cc(ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C(=O)NCC#N
CN(CC#N)C(=O)c1ccc(c(C)c1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(ccc1C(=O)NCC#N)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(cc(F)c1C(=O)NCC#N)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(C2=CCC(CC2)C(=O)NCC#N)c2cc[nH]c2n1)C1CC1 |t:6|
FC(F)(F)CNC(=O)C1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:11|
O=C(Nc1cc(C2=CCC(CC2)C(=O)NCCC#N)c2cc[nH]c2n1)C1CC1 |t:6|
CNS(=O)(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCS(=O)(=O)CC1
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCOCC1
FC(F)(F)CNC(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)NC1CCS(=O)(=O)C1
CNC(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CN(C)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCNC(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CS(=O)(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)Nc1ccon1
Cc1cc(CC(=O)N2CCS(=O)(=O)CC2)ccc1-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCC1
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCCC1
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCC(CC1)C#N
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCC(=O)CC1
CN1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)N1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)NCCC#N
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)(C)OC(=O)N1CCCC(C1)NC(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Cn1ccc(NC(=O)Cc2ccc(cc2)-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)n1
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCCCC1
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCNCC1
Fc1cc(ccc1CC(=O)N1CCS(=O)(=O)CC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCSCC1
FC1(F)CCN(CC1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)(F)S(=O)(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCOC(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)(F)CNS(=O)(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCC(C1)C#N
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CC(C1)C#N
FC1(F)CCN(C1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)(F)C1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)(C(=O)N1CCS(=O)(=O)CC1)c1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)(C(=O)N1CCOCC1)c1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CN(CC#N)C(=O)Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCS(=O)CC1
FC(F)(C(=O)N1CCC(CC1)C#N)c1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCOCC1C#N
O=C(Nc1cc(-c2ccc(cc2)C2(CC2)C(=O)N2CCS(=O)(=O)CC2)c2cc[nH]c2n1)C1CC1
O=C(CN1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCS(=O)(=O)CC1 |c:6|
O=C(Nc1cc(-c2ccc(CNC(=O)N3CCOCC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(CNC(=O)N3CCS(=O)(=O)CC3)cc2)c2cc[nH]c2n1)C1CC1
FC(F)(F)CNC(=O)NCc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(cc1F)S(=O)(=O)NCc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)NCc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(CN3CCC(=O)CC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(CN3CC(C3)C#N)cc2)c2cc[nH]c2n1)C1CC1
CS(=O)(=O)N1CCN(Cc2ccc(cc2)-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)CC1
CC1CC1C(=O)Nc1cc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)c2cc[nH]c2n1
CC(N1CCS(=O)(=O)CC1)c1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1cc(cc(F)c1CN1CCOCC1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(CCN3CCS(=O)(=O)CC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1nc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)c2nc[nH]c2n1)C1CC1
Cc1nnn(Cc2ccc(cc2)-c2cc(NC(=O)C3CC3)nc3[nH]cnc23)n1
Cc1nnnn1Cc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]cnc12
O=C(Nc1cc(-c2ccc(CNC3CCS(=O)(=O)C3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(CNC3CCS(=O)(=O)CC3)cc2)c2cc[nH]c2n1)C1CC1
Fc1ccc(NCc2ccc(cc2)-c2nc(NC(=O)C3CC3)nc3[nH]cnc23)cc1
Fc1cccc(NCc2ccc(cc2)-c2nc(NC(=O)C3CC3)nc3[nH]cnc23)c1
FC(F)(F)S(=O)(=O)N1CC(C1)n1cc(cn1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2cnn(c2)C2CNC2)c2cc[nH]c2n1)C1CC1
CCS(=O)(=O)N1CC(C1)n1cc(cn1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCCS(=O)(=O)N1CC(C1)n1cc(cn1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CS(=O)(=O)N1CC(C1)n1cc(cn1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2cnn(c2)C2CN(C2)S(=O)(=O)c2ccccc2)c2cc[nH]c2n1)C1CC1
Fc1ccc(cc1F)S(=O)(=O)N1CC(C1)n1cc(cn1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2cnn(c2)C2CN(C2)S(=O)(=O)C2CCCCC2)c2cc[nH]c2n1)C1CC1
CS(=O)(=O)N1CCC(CC1)n1cc(cn1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)N1CCC(CC1)n1cc(cn1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)(F)S(=O)(=O)N1CCC(CC1)n1cc(cn1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CC#N)N1CC(C1)n1cc(cn1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2cnn(c2)C2CCN(CC#N)CC2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(C2=CCN(CC2)C2(CC#N)COC2)c2cc[nH]c2n1)C1CC1 |t:6|
CC1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C1(CC#N)COC1 |c:5|
CC(C)(C)OC(=O)N1CC(CC#N)(C1)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:18|
O=C(Nc1cc(C2=CCN(CC2)C2(CC#N)CNC2)c2cc[nH]c2n1)C1CC1 |t:6|
CCS(=O)(=O)N1CC(CC#N)(C1)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:16|
CC(C)S(=O)(=O)N1CC(CC#N)(C1)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:17|
O=C(Nc1cc(C2=CCN(CC2)C2(CC#N)CN(C2)S(=O)(=O)CCCC#N)c2cc[nH]c2n1)C1CC1 |t:6|
FC(F)(F)S(=O)(=O)N1CC(CC#N)(C1)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:18|
O=C(Nc1cc(C2=CCN(CC2)C2(CC#N)CN(C2)C2CCNCC2)c2cc[nH]c2n1)C1CC1 |t:6|
FC(F)(F)c1csc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:30|
O=C(CC#N)N1CCC(CC1)N1CC(CC#N)(C1)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:23|
Fc1ccc(cc1)S(=O)(=O)N1CC(CC#N)(C1)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:22|
FC(F)(F)CNC(=O)N1CC(CC#N)(C1)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:19|
FC(F)(F)CC(=O)N1CC(CC#N)(C1)N1CCC(=CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:18|
CCS(=O)(=O)N1CC(CC#N)(C1)N1CC=C(C(C)C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |c:15|
CCS(=O)(=O)N1CC(CC#N)(C1)N1CC=C([C@H](C)C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r,c:15|
C[C@@H]1CN(CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12)C1(CC#N)CN(C1)S(=O)(=O)C(F)(F)F |r,c:5|
CCS(=O)(=O)Oc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)Oc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCCS(=O)(=O)Oc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)S(=O)(=O)Oc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(OS(=O)(=O)C3CCCCC3)cc2)c2cc[nH]c2n1)C1CC1
FCCCS(=O)(=O)Oc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
C=CCS(=O)(=O)Oc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(-c2ccc(OS(=O)(=O)CC3CCCCC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(OS(=O)(=O)CC3CCOC3)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(OS(=O)(=O)CCCC#N)cc2)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(-c2ccc(OS(=O)(=O)CCCC#N)cc2)c2ccn(CCCC#N)c2n1)C1CC1
Fc1ccc(COc2ccc(cc2)-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)cc1
O=C(Nc1cc(-c2ccc(OCCN3CCOCC3)cc2)c2cc[nH]c2n1)C1CC1
CCCCOc1ccc(cc1)-c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1nc(-c2ccc(OCc3ccc(nc3)C#N)cc2)c2nc[nH]c2n1)C1CC1
CCS(=O)(=O)NC1CCC(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |(8.37,-.41,;7.6,.92,;6.06,.92,;6.06,2.46,;6.06,-.62,;4.52,.92,;2.98,.92,;2.21,-.41,;.67,-.41,;-.1,.92,;.67,2.25,;2.21,2.25,;-1.64,.92,;-2.41,-.41,;-3.95,-.41,;-4.72,-1.75,;-6.26,-1.75,;-7.03,-.41,;-7.03,-3.08,;-8.37,-3.85,;-7.03,-4.62,;-4.72,.92,;-3.95,2.25,;-4.43,3.72,;-3.18,4.62,;-1.94,3.72,;-2.41,2.25,)|
CCS(=O)(=O)N1C2CCC1CC(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(C2CC3CCC(C2)N3S(=O)(=O)C2CC2)c2cc[nH]c2n1)C1CC1
FCCCS(=O)(=O)N1C2CCC1CC(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
Fc1ccc(cc1F)S(=O)(=O)N1C2CCC1CC(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(C2CC3CCC(C2)N3C(=O)C2CC2)c2cc[nH]c2n1)C1CC1
CCCCC(=O)N1C2CCC1CC(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CC#N)N1CCC(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCCNC(=O)N1CCC(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)(F)CNC(=O)N1CCC(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)(C)OC(=O)N1CCC(C(O)C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)(C)OC(=O)N1CCC(C(F)C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCNC(=S)N1C2CCC1CC(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCNC(=S)N1CCC(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCCCNC(=S)N1CCC(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CS(=O)(=O)N1CCN(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CS(=O)(=O)N1C2CCC1CN(C2)c1cc(NC(=O)C2CC2)nc2N=CCc12 |c:26|
O=C(Nc1cc(N2CCN(CC2)S(=O)(=O)CC2(CC2)C#N)c2cc[nH]c2n1)C1CC1
FCCCS(=O)(=O)N1CCN(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(N2CC3CCC(C2)N3S(=O)(=O)CCCC#N)c2cc[nH]c2n1)C1CC1
O=C(Nc1cc(N2CC3CCC(C2)N3S(=O)(=O)CC2(CC#N)CC2)c2cc[nH]c2n1)C1CC1
FC(F)(F)CCCS(=O)(=O)N1C2CCC1CN(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(N2CC3CCC(C2)N3S(=O)(=O)CC2(CC2)C#N)c2cc[nH]c2n1)C1CC1
CCCS(=O)(=O)N1CCN(CC1)c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)N1C2CCC1CN(C2)c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CCCS(=O)(=O)N[C@H]1CCN(C1)c1nc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
C=CCS(=O)(=O)N[C@H]1CCN(C1)c1nc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
CCS(=O)(=O)N(C)[C@H]1CCN(C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
O=C(Nc1cc(N2CCN(CC2)S(=O)(=O)N2CCOCC2)c2cc[nH]c2n1)C1CC1
CN(C)S(=O)(=O)N1CCN(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CC#N)NC1CCN(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CC#N)N1CCN(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CC#N)N1C2CCC1CN(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CC#N)N1CC2CCC(C1)N2c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CC#N)N1C[C@@H]2C[C@H]1CN2c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
O=C(CCC#N)N1C[C@@H]2C[C@H]1CN2c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
O=C(CC#N)N1C[C@H]2C[C@@H]1CN2c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
O=C(CCC#N)N1C[C@H]2C[C@@H]1CN2c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
O=C(CC1(CC1)C#N)N1CCN(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CCC#N)N1CCN(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CC#N)N1C2CC1CN(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(Nc1cc(N2CC3CCC(C2)N3C(=O)c2cccc(c2)C#N)c2cc[nH]c2n1)C1CC1
O=C(CC#N)N1CCN(CC1)c1nc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CC1(CC1)C#N)N1C2CCC1CN(C2)c1nc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)(F)CNC(=O)N1CCN(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
FC(F)(F)CNC(=O)N1C2CCC1CN(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)(C)OC(=O)N1CCN(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)(C)OC(=O)N1C2CCC1CN(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)(C)OC(=O)N1C2CCC1CN(C2)c1nc(NC(=O)C2CC2)nc2[nH]ccc12
CC(C)(C)OC(=O)N[C@H]1CCN(C1)c1nc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
CC(C)(C)OC(=O)N[C@H]1CCN(C1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
O=C(Nc1cc(N2CCN(Cc3ccns3)CC2)c2cc[nH]c2n1)C1CC1
FC1(F)C[C@H]1CN1CCN(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12 |r|
CCS(=O)(=O)N1CC(CC#N)(C1)N1CCN(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)N1CC(CC#N)(C1)N1C2CCC1CN(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12
O=C(CN1CCN(CC1)c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCS(=O)(=O)CC1
O=C(CN1C2CCC1CN(C2)c1cc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCC[C@@H]1C#N |r|
O=C(CN1C2CCC1CN(C2)c1nc(NC(=O)C2CC2)nc2[nH]ccc12)N1CCS(=O)(=O)CC1
C[C@@H]1CN(CC=C1c1cc(N)nc2[nH]ccc12)C(=O)CC#N |r,c:5|
CCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)C2CCCC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)C2CCCCC2)nc2[nH]ccc12
CCC(=O)Nc1cc(-c2ccc(NS(=O)(=O)CC)c(F)c2)c2cc[nH]c2n1
CCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)Cc2ccccc2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(C)=O)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NC(=O)C(C)C)nc2[nH]ccc12
CCCC(=O)Nc1cc(-c2ccc(NS(=O)(=O)CC)c(F)c2)c2cc[nH]c2n1
CCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NCC2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1)-c1cc(N\C(=N/C)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1)-c1cc(NC(=S)C2CC2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1F)-c1cc(NS(=O)(=O)C2CC2)nc2[nH]ccc12
O=C(NC1CC1)Nc1cc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)c2cc[nH]c2n1
CN(C)c1nc(-c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c2cc[nH]c2n1
CCS(=O)(=O)Nc1ccc(cc1F)-c1nc(Nc2ccccc2)nc2[nH]ccc12
CCS(=O)(=O)Nc1ccc(cc1)-c1nc(Nc2ccccc2)nc2[nH]ccc12
O=C(CC#N)N1C2CCC1CN(C2)c1nc(Nc2ccccc2)nc2[nH]ccc12
Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2cc(cn2)-c2nccc3[nH]ccc23)CC1)C#N
CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1nccc2[nH]ccc12
C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1nccc2[nH]ccc12)C(F)(F)F |r|
Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C
Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)N4CCN(CC4)C
Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(c(c3)F)N4CCN(CC4)C
Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(cc3)N4CCN(CC4)C
Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C
COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2cn(C)nc12
COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2cn[nH]c12
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2scnc12
Nc1nc2c(cncc2s1)C(=O)Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2cn[nH]c12
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1snc2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2[nH]ccc2n1
Nc1nn2cccnc2c1C(=O)Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2ccoc12
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1coc2cccnc12
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cc(F)cnc12
Cc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3OC(F)F)c2n1
COc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3OC(F)F)c2n1
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2[nH]cnc12
CCCn1cc(Nc2nccc(n2)N2CC3CCC(C2)N3C(=O)[C@@H]2CC2(F)F)cn1
C[C@@H](O)Cn1cc(Nc2nccc(n2)N2CC3CCC(C2)N3C(=O)[C@@H]2CC2(F)F)cn1
C[C@H](O)Cn1cc(Nc2nccc(n2)N2CC3CCC(C2)N3C(=O)[C@@H]2CC2(F)F)cn1
OCCCn1cc(Nc2nccc(n2)N2CC3CCC(C2)N3C(=O)[C@@H]2CC2(F)F)cn1
CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)C[C@H]1C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](NCc2[nH]1)C(=O)N1CCN(CC1)C(C)C |r|
CCCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC[C@@H](C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
NC(=O)c1nc(oc1Nc1ccc(cc1)C(=O)NC1CCNC1)-c1c(F)cccc1F
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
CSCCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2cnco2)cc1
CN(C)C(=O)N1CCN(Cc2cccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)c2)CC1
O=C(Nc1ccccc1)Nc1ccc(cc1)C1CCNC1
Clc1ccc(NC(=O)Nc2ccc(cc2)C2CCNC2)c(Cl)c1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
O=C(NCc1ccccc1)Nc1ccc(cc1)C1CCNC1
C[C@@H]1CN(CCN1c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1)C(C)=O |r|
CN(C)C\C=C\C(=O)N1CC(CCn2c3cc(Nc4ccc(N)cn4)ncc3ccc2=O)C1
CC[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(C)c3)ncc2ccc1=O)C(=O)C=C |r|
CC(C)(C)OC(=O)N1CC(CCn2c3nc(Nc4ccc(N)cc4)ncc3ccc2=O)C1
CN1CCN(CC1)c1ccc(Nc2cc3n(CCC4CN(C4)C(=O)C=C)c(=O)ccc3cn2)nc1
Cn1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
Cn1cc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cn1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1Cl
C=CC(=O)N1CC(CCn2c3nc(Nc4ccccc4)ncc3ccc2=O)C1
COc1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
FC(F)Cn1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
COCCn1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
CN(C)CCn1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
Fc1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)ccc1N1CCOCC1
CC(C)OCCn1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
FC(F)OCCn1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)N4CCSCC4)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(CN5CCOCC5)c4)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(c4)N4CCOCC4)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cn4)N4CCOCC4)ncc3ccc2=O)C1
C[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(C)c3)ncc2ccc1=O)C(=O)C=C |r|
CN1CCN(CC1)c1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
Cn1cc(Nc2ncc3ccc(=O)n(CCN4CCN(C(=O)C=C)C5(CC5)C4)c3n2)cn1
Cn1cc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4(C)C)C(=O)C=C)c3n2)cn1
C=CC(=O)N1CC(CCn2c3nc(Nc4cnn(c4)-c4ccccc4)ncc3ccc2=O)C1
OCCn1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
FC(F)n1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cn1
C=CC(=O)N1CCN(CCn2c3nc(Nc4ccc(cc4)N4CCSCC4)ncc3ccc2=O)CC1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1F
C=CC(=O)N1CCN(CCn2c3nc(Nc4ccccc4)ncc3ccc2=O)CC1
Fc1cc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)ccc1N1CCOCC1
CC(C)OCCn1cc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cn1
CN1CCC(CC1)n1cc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cn1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(CN5CCOCC5)cc4)ncc3ccc2=O)C1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CN1CCN(Cc2ccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)cc2)CC1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)N4CCOCC4=O)ncc3ccc2=O)C1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1F
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1C
C=CC(=O)N1CCN(CCn2c3nc(Nc4ccc(cc4)N4CCN(CC4)C4CC4)ncc3ccc2=O)CC1
CN1CCC(CC1)n1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
CN1CCN(Cc2cccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)c2)CC1
Fc1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)ccc1N1CCSCC1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(nc4)N4CCSCC4)ncc3ccc2=O)C1
CCN(CC)CCn1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
CCOCCn1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
CC(C)(O)Cn1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
COCC(C)(C)n1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc5[nH]c(=O)oc5c4)ncc3ccc2=O)C1
Cn1c2ccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)cc2oc1=O
C=CC(=O)N1CC(CCn2c3nc(Nc4cnn(CCN5CCOCC5)c4)ncc3ccc2=O)C1
CC(C)(C)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
FCCn1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(c4)C(=O)N4CCCCC4)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(c4)C(=O)N4CCOCC4)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)-n4cccn4)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)-n4ccnn4)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(c4)N4CCCCC4)ncc3ccc2=O)C1
CS(=O)(=O)Nc1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
COC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)N4CCN(CC4)C(=O)CC#N)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)-n4ccnc4)ncc3ccc2=O)C1
CN1CCC(=CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |c:4|
CC(C)C(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
COCCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CN1CCC(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CC(=O)N1CCN(CC1)c1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
C=CC(=O)N1CCN(CCn2c3nc(Nc4ccc(CN5CCOCC5)cc4)ncc3ccc2=O)CC1
C=CC(=O)N1CC(CCn2c3nc(Nc4cnn(c4)C4CCOCC4)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc5[nH]ncc5c4)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc5cn[nH]c5c4)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc5[nH]cnc5c4)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(CN5CCSCC5)c4)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(CN5CCSCC5)cc4)ncc3ccc2=O)C1
CN1CCC(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
CCN(CC)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CN(C)CCc1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CN(C)Cc1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
CN(C)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CN(C)C(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CNC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CN(C)C(=S)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CNS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CC(C)(C)SC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
COCCOC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CC(C)OC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)N4CCN(CC4)S(=O)(=O)CC#N)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)N4CCN(CC4)S(=O)(=O)C4COC4)ncc3ccc2=O)C1
CC(C)CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CC(C)(C)C(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
C[C@@H](O)C(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
C[C@H](O)C(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
CSCC(=O)N1CCN(CC1)c1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
COCC(=O)N1CCN(CC1)c1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
FC(F)(F)C(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CSCCC(=O)N1CCN(Cc2cccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)c2)CC1
COC(=O)N1CCN(Cc2cccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)c2)CC1
COCC(=O)N1CCN(Cc2cccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)c2)CC1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)N4CCN(CCN5CCCCC5)CC4)ncc3ccc2=O)C1
CCN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CCC(C)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)N4CCN(CCC5CCCCC5)CC4)ncc3ccc2=O)C1
CCOCCN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)N4CCN(CC4)C4CC4)ncc3ccc2=O)C1
FC(F)(F)CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
C[C@H]1CN([C@@H](C)CN1CCn1c2nc(Nc3cnn(C)c3)ncc2ccc1=O)C(=O)C=C |r|
COCCS(=O)(=O)N1CCN(CC1)c1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
COC(=O)N1CCN(CC1)c1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
CN(C)C(=O)N1CCN(CC1)c1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(CN5CCN(CC5)S(=O)(=O)CC#N)c4)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(CN5CCN(CC5)S(=O)(=O)C5COC5)c4)ncc3ccc2=O)C1
CS(=O)(=O)N1CCN(CC1)c1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(c4)N4CCN(CC4)S(=O)(=O)CC#N)ncc3ccc2=O)C1
C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(c4)N4CCN(CC4)S(=O)(=O)C4COC4)ncc3ccc2=O)C1
CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
Cn1cc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4CO)C(=O)C=C)c3n2)cn1 |r|
COCCS(=O)(=O)N1CCN(Cc2cccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)c2)CC1
CC(=O)N1CCN(Cc2cccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)c2)CC1
CSCC(=O)N1CCN(Cc2cccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)c2)CC1
COc1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)ccc1N1CCN(C)CC1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1O
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)nc1
CC(C)(O)C(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CS(=O)CCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CS(=O)(=O)CCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c(F)c1
CC1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)N4CCCCC4)ncc3ccc2=O)C1
COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
COC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
CN(C)C(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
COCCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
C=CC(=O)N1CCN(CCn2c3nc(Nc4ccc(cc4)N4CCN(CC4)S(=O)(=O)C4COC4)ncc3ccc2=O)CC1
Cn1cc(Nc2ncc3ccc(=O)n(CCN4CCN(CC44CC4)C(=O)C=C)c3n2)cn1
CSCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
CS(=O)(=O)CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1F
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1Cl
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1Cl
C[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)ncc2ccc1=O)C(=O)C=C |r|
CC(Cn1c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)ncc2ccc1=O)C1CN(C1)C(=O)C=C
FC1(F)CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CCC[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(C)c3)ncc2ccc1=O)C(=O)C=C |r|
CCC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2ccc1=O)C(=O)C=C |r|
C[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2ccc1=O)C(=O)C=C |r|
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4(C)CN(C4)C(=O)C=C)c3n2)cc1
C[C@@H]1CN(CCN1C)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
C[C@H]1CN(C)CCN1c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CC(C)(C)N4CCN(CC4)C(=O)C=C)c3n2)cc1
C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1C
C[C@H]1CN(CCN1C(C)=O)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1)C(C)=O |r|
C[C@@H]1CN(CCN1C(C)=O)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
COCCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4C)C(=O)C=C)c3n2)cc1 |r|
CSCCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4C)C(=O)C=C)c3n2)cc1 |r|
COC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4C)C(=O)C=C)c3n2)cc1 |r|
CSCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4C)C(=O)C=C)c3n2)cc1 |r|
C[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)C(=O)N(C)C)ncc2ccc1=O)C(=O)C=C |r|
COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4C)C(=O)C=C)c3n2)cc1 |r|
C[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O)C(=O)C=C |r|
FC(F)(F)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
CC(=O)N1CCN(CC1(C)C)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CCC1(CCn2c3nc(Nc4ccc(cc4)N4CCN(CC4)C(C)=O)ncc3ccc2=O)CN(C1)C(=O)C=C
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1F
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1Cl
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CC(C)(C)C4CN(C4)C(=O)C=C)c3n2)cc1
CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)ncc2ccc1=O)C(=O)C=C |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)C(=O)COC)ncc2ccc1=O)C(=O)C=C |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)C(=O)N(C)C)ncc2ccc1=O)C(=O)C=C |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CSC)ncc2ccc1=O)C(=O)C=C |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O)C(=O)C=C |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)C(=O)OC)ncc2ccc1=O)C(=O)C=C |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)S(=O)(=O)CCOC)ncc2ccc1=O)C(=O)C=C |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CCSC)ncc2ccc1=O)C(=O)C=C |r|
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4CO)C(=O)C=C)c3n2)cc1 |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(Cc4ccccc4)c3)ncc2ccc1=O)C(=O)C=C |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(c3)-c3ccccc3)ncc2ccc1=O)C(=O)C=C |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(c3)C3CCN(C)CC3)ncc2ccc1=O)C(=O)C=C |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(c3)C3CCOCC3)ncc2ccc1=O)C(=O)C=C |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CS(=O)CC)ncc2ccc1=O)C(=O)C=C |r|
C[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3C[C@@H](C)N(C)[C@H](C)C3)ncc2ccc1=O)C(=O)C=C |r|
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CC(C)(C)N4CCN(CC4)C(=O)C=C)c3n2)cc1
CC(Cn1c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)ncc2ccc1=O)N1CCN(CC1)C(=O)C=C
CC[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(CCF)c3)ncc2ccc1=O)C(=O)C=C |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(c3)C(C)(C)COC)ncc2ccc1=O)C(=O)C=C |r|
CCN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
CCC(C)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
COCCCN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
COCCN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
CC[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(CC(F)F)c3)ncc2ccc1=O)C(=O)C=C |r|
CSCC(=O)N1CCC(CC1)n1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
CC(C)CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
CC(C)C(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
CN(C)C(=S)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
CC(N1CCN(CC1)C(=O)N(C)C)c1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
CC(N1CCN(CC1)C(C)=O)c1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
CCC1(CCn2c3nc(Nc4ccc(cc4)N4CCN(C)CC4)ncc3ccc2=O)CN(C1)C(=O)C=C
CC(Cn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2ccc1=O)N1CCN(CC1)C(=O)C=C
CC(C)(C)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
CC[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(CCOC(C)C)c3)ncc2ccc1=O)C(=O)C=C |r|
CCOCCn1cc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4CC)C(=O)C=C)c3n2)cn1 |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3C[C@H](C)N(C)[C@H](C)C3)ncc2ccc1=O)C(=O)C=C |r|
OCCOc1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CN(CCO)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CN(Cc1ccccc1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
Cn1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)n1
C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)\C=C\CN(C)C)c3n2)cc1 |r|
C[C@@H]1CN(CCN1C)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)\C=C\CN(C)C)c3n2)cc1 |r|
CCOCCn1cc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4C)C(=O)C=C)c3n2)cn1 |r|
CC(C)OCCn1cc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4C)C(=O)C=C)c3n2)cn1 |r|
C[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(c3)C3CCN(C)CC3)ncc2ccc1=O)C(=O)C=C |r|
C[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(CC(F)F)c3)ncc2ccc1=O)C(=O)C=C |r|
COCC(C)(C)n1cc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4C)C(=O)C=C)c3n2)cn1 |r|
CC(Cn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2ccc1=O)C1CN(C1)C(=O)C=C
C[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(c3)-c3ccccc3)ncc2ccc1=O)C(=O)C=C |r|
C[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(CCF)c3)ncc2ccc1=O)C(=O)C=C |r|
C[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(Cc4ccccc4)c3)ncc2ccc1=O)C(=O)C=C |r|
C[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(CCOC(F)F)c3)ncc2ccc1=O)C(=O)C=C |r|
C=CC(=O)N1CC(CCn2c3nc(Nc4cnn(Cc5ccccc5)c4)ncc3ccc2=O)C1
CN1CCN(CC1(C)C)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
CCn1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
CC[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(CC)c3)ncc2ccc1=O)C(=O)C=C |r|
CCn1cc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4C)C(=O)C=C)c3n2)cn1 |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(CCN4CCOCC4)c3)ncc2ccc1=O)C(=O)C=C |r|
C[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(CCN4CCOCC4)c3)ncc2ccc1=O)C(=O)C=C |r|
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CC(C)(C)C4CN(C4)C(=O)C=C)c3n2)cc1
C[C@H]1CN(C[C@@H](C)N1C)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
C[C@H]1CN(C[C@@H](C)N1C)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1 |r|
C[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3C[C@H](C)N(C)[C@H](C)C3)ncc2ccc1=O)C(=O)C=C |r|
C[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(c3)C3CCOCC3)ncc2ccc1=O)C(=O)C=C |r|
C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4C)C(=O)C=C)c3n2)cc1 |r|
C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4C)C(=O)C=C)c3n2)cn1 |r|
C[C@@H]1CN([C@@H](C)CN1C)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
CCn1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)n1
CCn1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4C)C(=O)C=C)c3n2)n1 |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccn(CC)n3)ncc2ccc1=O)C(=O)C=C |r|
CC(C)n1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)n1
CC(C)n1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4C)C(=O)C=C)c3n2)n1 |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccn(n3)C(C)C)ncc2ccc1=O)C(=O)C=C |r|
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4(C)CN(C4)C(=O)C=C)c3n2)cc1
Cn1cc(Nc2ncc3ccc(=O)n(CCN4CCN(C[C@@H]4CC#N)C(=O)C=C)c3n2)cn1 |r|
CN(C)C[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(C)c3)ncc2ccc1=O)C(=O)C=C |r|
CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3C[C@@H](C)N(C)[C@H](C)C3)ncc2ccc1=O)C(=O)C=C |r|
C[C@@H]1CN(C[C@@H](C)N1C)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCC(F)(F)F |r,wU:20.25,(4.5,13.32,;3.01,13.72,;2.62,15.21,;1.92,12.63,;2.4,11.17,;1.15,10.26,;-.09,11.17,;.38,12.63,;-.7,13.72,;-2.24,13.72,;-3.01,12.39,;-3.01,15.05,;-3.41,16.54,;-4.5,15.45,;1.15,8.72,;-.11,9.6,;-1.5,8.95,;-2.9,8.3,;.07,7.63,;.46,6.14,;1.95,5.75,;3.04,6.83,;2.64,8.32,;1.95,4.21,;2.72,2.87,;1.63,1.78,;.15,2.18,;2.03,.3,;.54,.69,)|
CNC(=O)Nc1cn(nc1C(N)=O)C1(CC#N)CCN(CC(F)(F)F)CC1
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(CC(F)(F)F)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)[C@]1(CC#N)CCC2(COC2)CC1 |r|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)[C@]1(CC#N)CC[C@@H](CC1)N1CC(C1)C(F)(F)F |r,wD:14.15,20.25,(2.86,15.39,;1.33,15.55,;.7,16.96,;.42,14.3,;.9,12.84,;-.35,11.93,;-1.59,12.84,;-1.12,14.3,;-2.02,15.55,;-3.56,15.39,;-4.18,13.98,;-4.46,16.63,;-4.62,18.16,;-5.87,17.26,;-.35,10.4,;-1.84,10.8,;-2.92,9.71,;-4.01,8.62,;1.18,10.62,;2.13,9.41,;1.56,7.98,;.03,7.76,;-.92,8.97,;2.51,6.77,;2.33,5.24,;3.86,5.06,;4.04,6.59,;4.81,3.85,;3.8,2.8,;5.87,4.98,;5.78,2.66,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)[C@@]1(CC#N)CC[C@@H](CC1)N1CC(C1)C(F)(F)F |r,wU:20.25,wD:14.15,(2.86,15.35,;1.33,15.52,;.7,16.92,;.42,14.27,;.9,12.8,;-.35,11.9,;-1.59,12.8,;-1.12,14.27,;-2.02,15.52,;-3.56,15.35,;-4.18,13.95,;-4.46,16.6,;-4.62,18.13,;-5.87,17.23,;-.35,10.36,;-1.84,10.76,;-2.92,9.67,;-4.01,8.59,;-.92,8.93,;.03,7.72,;1.56,7.95,;2.13,9.38,;1.18,10.59,;2.51,6.74,;2.33,5.21,;3.86,5.03,;4.04,6.56,;4.81,3.82,;3.8,2.76,;5.87,4.95,;5.78,2.62,)|
CCOC1(CN(C1)[C@H]1CC[C@](CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1)C(F)(F)F |r,wD:10.17,7.7,(5.38,7.46,;5.98,6.17,;5.17,5.01,;3.74,5.11,;2.21,5.29,;2.4,6.82,;3.92,6.64,;1.44,8.03,;2.01,9.46,;1.06,10.67,;-.47,10.45,;-1.95,10.85,;-3.04,9.76,;-4.13,8.67,;-1.04,9.02,;-.08,7.81,;-.47,11.99,;.78,12.89,;.3,14.36,;1.21,15.6,;2.74,15.44,;.58,17.01,;-1.24,14.36,;-2.14,15.6,;-3.67,15.44,;-4.3,14.03,;-4.58,16.69,;-4.74,18.22,;-5.98,17.31,;-1.71,12.89,;3.56,3.58,;2.03,3.76,;5.09,3.4,;3.45,2.05,)|
CCOC1(CN(C1)[C@H]1CC[C@@](CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1)C(F)(F)F |r,wU:7.7,wD:10.17,(5.38,7.43,;5.98,6.14,;5.17,4.98,;3.74,5.08,;2.21,5.26,;2.4,6.79,;3.92,6.61,;1.44,8,;-.08,7.78,;-1.04,8.99,;-.47,10.42,;-1.95,10.82,;-3.04,9.73,;-4.13,8.64,;1.06,10.64,;2.01,9.43,;-.47,11.96,;.78,12.86,;.3,14.32,;1.21,15.57,;2.74,15.41,;.58,16.98,;-1.24,14.32,;-2.14,15.57,;-3.67,15.41,;-4.3,14,;-4.58,16.66,;-4.74,18.19,;-5.98,17.28,;-1.71,12.86,;3.56,3.55,;2.03,3.73,;5.09,3.37,;3.45,2.02,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(c(O)c2)-c2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)[C@@]1(CC#N)CCN(Cc2ccc(cc2)-c2ccccc2)C[C@@H]1F |r|
NC(=O)c1cn(nc1NC(=O)C1CC1)[C@]1(CC#N)CCN(Cc2ccc(cc2)-c2ccccc2)C[C@@H]1F |r|
NC(=O)c1cn(nc1NC(=O)C1CC1)[C@@]1(CC#N)CCN(Cc2ccc(cc2)-c2ccccc2)C[C@H]1F |r|
NC(=O)c1cn(nc1NC(=O)C1CC1)[C@]1(CC#N)CCN(Cc2ccc(cc2)-c2ccccc2)C[C@H]1F |r|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(nc2)-c2csc(Cl)c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CC1)C(=O)OCC1CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CC1)C(=O)Cc1ccccc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CC1)[C@@H](CO)c1ccccc1 |r|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CC1)[C@H](CO)c1ccccc1 |r|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CC1)C(=O)NC1CC(F)(F)C1
CC(N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1)c1ccccc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CC(F)(F)F)CC1
CC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(CC(F)(F)F)CC1
NC(=O)c1cn(nc1NC(=O)C1CC11CC1)C1(CC#N)CCN(CC(F)(F)F)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1(F)F)C1(CC#N)CCN(CC(F)(F)F)CC1
NC(=O)c1cn(nc1NC(=O)[C@H]1C[C@@H]1C(F)(F)F)C1(CC#N)CCN(CC(F)(F)F)CC1 |r|
NC(=O)c1cn(nc1NC(=O)[C@@H]1C[C@@H]1F)C1(CC#N)CCN(CC(F)(F)F)CC1 |r|
NC(=O)c1cn(nc1NC(=O)[C@H]1C[C@H]1F)C1(CC#N)CCN(CC(F)(F)F)CC1 |r|
NC(=O)c1cn(nc1NC(=O)[C@@H]1C[C@H]1F)C1(CC#N)CCN(CC(F)(F)F)CC1 |r|
NC(=O)c1cn(nc1NC(=O)[C@H]1CC11CCC1)C1(CC#N)CCN(CC(F)(F)F)CC1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(CC(F)(F)F)CC1 |r|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCCCC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCC2(CC1)Oc1ccccc1O2
CC(C)(C)OC(=O)N[C@H]1CC[C@@](CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1 |r,wU:8.7,wD:11.17,(6.55,-5.61,;5.46,-4.52,;5.86,-3.03,;6.95,-4.12,;3.97,-4.91,;2.88,-3.83,;3.28,-2.34,;1.4,-4.22,;.31,-3.14,;-1.18,-3.53,;-2.27,-2.44,;-1.87,-.96,;-3.4,-.82,;-4.05,.57,;-4.71,1.97,;-.38,-.56,;.71,-1.65,;-1.87,.58,;-.62,1.49,;-1.1,2.95,;-.19,4.2,;1.34,4.04,;-.82,5.61,;-2.64,2.95,;-3.54,4.2,;-5.08,4.04,;-5.98,5.28,;-5.7,2.63,;-6.95,1.73,;-5.54,1.1,;-3.12,1.49,)|
CC(C)(C)OC(=O)N[C@H]1CC[C@](CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1 |r,wD:11.17,8.7,(6.55,-5.61,;5.46,-4.52,;5.86,-3.03,;6.95,-4.12,;3.97,-4.91,;2.88,-3.83,;3.28,-2.34,;1.4,-4.22,;.31,-3.14,;.71,-1.65,;-.38,-.56,;-1.87,-.96,;-3.4,-.82,;-4.05,.57,;-4.71,1.97,;-2.27,-2.44,;-1.18,-3.53,;-1.87,.58,;-.62,1.49,;-1.1,2.95,;-.19,4.2,;1.34,4.04,;-.82,5.61,;-2.64,2.95,;-3.54,4.2,;-5.08,4.04,;-5.98,5.28,;-5.7,2.63,;-6.95,1.73,;-5.54,1.1,;-3.12,1.49,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cccc(c2)-c2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccccc2-c2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)N2CCCCC2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccccc2)CC1
COc1ccccc1CN1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1
COc1cccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)c1
COc1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
CS(=O)(=O)Nc1ccccc1CN1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1
CS(=O)(=O)Nc1cccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)c1
CS(=O)(=O)Nc1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccccc2OC(F)(F)F)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cccc(OC(F)(F)F)c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccccc2Br)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cccc(Br)c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(Br)cc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccccc2I)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cccc(I)c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(I)cc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cccc(F)c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(F)cc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccccc2Cl)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cccc(Cl)c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(Cl)cc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccccc2C(F)(F)F)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cccc(c2)C(F)(F)F)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)C(F)(F)F)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccccc2C#N)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cccc(c2)C#N)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)C#N)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cccc(SC(F)(F)F)c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(SC(F)(F)F)cc2)CC1
CS(=O)(=O)c1ccccc1CN1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1
CS(=O)(=O)c1cccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)c1
CS(=O)(=O)c1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc3cc[nH]c3c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc3nc[nH]c3c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cccc(NS(=O)(=O)c3ccccc3)c2)CC1
CCS(=O)(=O)Nc1cccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)c1
CC(=O)Nc1cccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)c1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(Br)c(F)c2)CC1
CS(=O)(=O)Nc1cccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)c1F
CS(=O)(=O)Nc1cc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)ccc1F
CS(=O)(=O)Nc1cc(F)cc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)c1
CC(=O)Nc1cc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)ccc1Cl
Cn1ccc(n1)-c1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccn(n2)C(F)(F)F)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)N2CCCC2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-n2ccnc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-n2cncn2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-n2cccn2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-n2cnc3ccccc23)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-n2nccn2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cnn(c2)-c2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc3CSCc3c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cccc(OC(F)F)c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cccc(NS(=O)(=O)C(F)(F)F)c2)CC1
CC(C)S(=O)(=O)Nc1cccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)c1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc3c(c2)[nH]c2ccccc32)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CCC(F)(F)F)CC1
NCc1cccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)c1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CC1)C1CCN(CC1)C(=O)c1ccnc(c1F)C(F)(F)F
CN[C@H]1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1 |r,wU:2.1,(3.36,-6.63,;2.03,-5.86,;2.03,-4.32,;.54,-3.92,;.14,-2.43,;1.23,-1.35,;-.03,-.46,;-1.43,-1.11,;-2.82,-1.76,;2.72,-1.74,;3.12,-3.23,;1.23,.19,;2.48,1.1,;2,2.56,;2.91,3.81,;4.24,3.04,;2.28,5.22,;.46,2.56,;-.44,3.81,;-1.98,3.81,;-2.75,2.48,;-2.75,5.14,;-3.15,6.63,;-4.24,5.54,;-.01,1.1,)|
CN[C@H]1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1 |r,wD:2.1,(3.36,-6.63,;2.03,-5.86,;2.03,-4.32,;3.12,-3.23,;2.72,-1.74,;1.23,-1.35,;-.03,-.46,;-1.43,-1.11,;-2.82,-1.76,;.14,-2.43,;.54,-3.92,;1.23,.19,;2.48,1.1,;2,2.56,;2.91,3.81,;4.24,3.04,;2.28,5.22,;.46,2.56,;-.44,3.81,;-1.98,3.81,;-2.75,2.48,;-2.75,5.14,;-3.15,6.63,;-4.24,5.54,;-.01,1.1,)|
COC1CN(C1)[C@H]1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1 |r,wU:6.6,(.7,-8.49,;2.03,-7.72,;2.03,-6.18,;.94,-5.09,;2.03,-4,;3.12,-5.09,;2.03,-2.46,;.54,-2.06,;.14,-.58,;1.23,.51,;-.03,1.4,;-1.43,.75,;-2.82,.09,;2.72,.11,;3.12,-1.37,;1.23,2.05,;2.48,2.96,;2,4.42,;2.91,5.67,;4.24,4.9,;2.28,7.08,;.46,4.42,;-.44,5.67,;-1.98,5.67,;-2.75,4.33,;-2.75,7,;-3.15,8.49,;-4.24,7.4,;-.01,2.96,)|
COC1CN(C1)[C@H]1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1 |r,wD:6.6,(.7,-8.49,;2.03,-7.72,;2.03,-6.18,;.94,-5.09,;2.03,-4,;3.12,-5.09,;2.03,-2.46,;3.12,-1.37,;2.72,.11,;1.23,.51,;-.03,1.4,;-1.43,.75,;-2.82,.09,;.14,-.58,;.54,-2.06,;1.23,2.05,;2.48,2.96,;2,4.42,;2.91,5.67,;4.24,4.9,;2.28,7.08,;.46,4.42,;-.44,5.67,;-1.98,5.67,;-2.75,4.33,;-2.75,7,;-3.15,8.49,;-4.24,7.4,;-.01,2.96,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NC1CCOCC1 |r,wU:20.25,(4.24,4.19,;2.91,4.96,;2.28,6.37,;2,3.72,;2.48,2.25,;1.23,1.35,;-.01,2.25,;.46,3.72,;-.44,4.96,;-1.98,4.96,;-2.75,3.63,;-2.75,6.3,;-3.15,7.79,;-4.24,6.7,;1.23,-.19,;-.03,.69,;-1.43,.04,;-2.82,-.61,;.14,-1.28,;.54,-2.77,;2.03,-3.17,;3.12,-2.08,;2.72,-.59,;2.03,-4.71,;.7,-5.48,;-.64,-4.71,;-1.97,-5.48,;-1.97,-7.02,;-.64,-7.79,;.7,-7.02,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NC1CCOCC1 |r,wD:20.25,(4.24,4.19,;2.91,4.96,;2.28,6.37,;2,3.72,;2.48,2.25,;1.23,1.35,;-.01,2.25,;.46,3.72,;-.44,4.96,;-1.98,4.96,;-2.75,3.63,;-2.75,6.3,;-3.15,7.79,;-4.24,6.7,;1.23,-.19,;-.03,.69,;-1.43,.04,;-2.82,-.61,;2.72,-.59,;3.12,-2.08,;2.03,-3.17,;.54,-2.77,;.14,-1.28,;2.03,-4.71,;.7,-5.48,;-.64,-4.71,;-1.97,-5.48,;-1.97,-7.02,;-.64,-7.79,;.7,-7.02,)|
CC1(C)CN(C1)[C@H]1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1 |r,wU:6.6,(.94,-7.88,;2.03,-6.79,;3.12,-7.88,;.94,-5.7,;2.03,-4.61,;3.12,-5.7,;2.03,-3.07,;.54,-2.67,;.14,-1.19,;1.23,-.1,;-.03,.79,;-1.43,.14,;-2.82,-.52,;2.72,-.5,;3.12,-1.98,;1.23,1.44,;2.48,2.35,;2,3.81,;2.91,5.06,;4.24,4.29,;2.28,6.47,;.46,3.81,;-.44,5.06,;-1.98,5.06,;-2.75,3.72,;-2.75,6.39,;-3.15,7.88,;-4.24,6.79,;-.01,2.35,)|
CC1(C)CN(C1)[C@H]1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1 |r,wD:6.6,(.94,-7.88,;2.03,-6.79,;3.12,-7.88,;.94,-5.7,;2.03,-4.61,;3.12,-5.7,;2.03,-3.07,;3.12,-1.98,;2.72,-.5,;1.23,-.1,;-.03,.79,;-1.43,.14,;-2.82,-.52,;.14,-1.19,;.54,-2.67,;1.23,1.44,;2.48,2.35,;2,3.81,;2.91,5.06,;4.24,4.29,;2.28,6.47,;.46,3.81,;-.44,5.06,;-1.98,5.06,;-2.75,3.72,;-2.75,6.39,;-3.15,7.88,;-4.24,6.79,;-.01,2.35,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)N1CC2(CCC2)C1 |r,wU:20.25,(4.24,4.8,;2.91,5.57,;2.28,6.97,;2,4.32,;2.48,2.86,;1.23,1.95,;-.01,2.86,;.46,4.32,;-.44,5.57,;-1.98,5.57,;-2.75,4.23,;-2.75,6.9,;-3.15,8.39,;-4.24,7.3,;1.23,.41,;-.03,1.29,;-1.43,.64,;-2.82,-.01,;.14,-.68,;.54,-2.17,;2.03,-2.57,;3.12,-1.48,;2.72,.01,;2.03,-4.11,;.94,-5.19,;2.03,-6.28,;1.26,-7.62,;2.59,-8.39,;3.36,-7.05,;3.12,-5.19,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)N1CC2(CCC2)C1 |r,wD:20.25,(4.24,4.8,;2.91,5.57,;2.28,6.97,;2,4.32,;2.48,2.86,;1.23,1.95,;-.01,2.86,;.46,4.32,;-.44,5.57,;-1.98,5.57,;-2.75,4.23,;-2.75,6.9,;-3.15,8.39,;-4.24,7.3,;1.23,.41,;-.03,1.29,;-1.43,.64,;-2.82,-.01,;2.72,.01,;3.12,-1.48,;2.03,-2.57,;.54,-2.17,;.14,-.68,;2.03,-4.11,;.94,-5.19,;2.03,-6.28,;1.26,-7.62,;2.59,-8.39,;3.36,-7.05,;3.12,-5.19,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccccc1 |r,wU:20.25,(4.24,3.54,;2.91,4.31,;2.28,5.72,;2,3.07,;2.48,1.6,;1.23,.7,;-.01,1.6,;.46,3.07,;-.44,4.31,;-1.98,4.31,;-2.75,2.98,;-2.75,5.65,;-3.15,7.14,;-4.24,6.05,;1.23,-.84,;-.03,.04,;-1.43,-.61,;-2.82,-1.26,;.14,-1.93,;.54,-3.42,;2.03,-3.82,;3.12,-2.73,;2.72,-1.24,;2.03,-5.36,;.94,-6.45,;-.55,-6.05,;-.95,-4.56,;-2.43,-4.16,;-3.52,-5.25,;-3.12,-6.74,;-1.64,-7.14,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccccc1 |r,wD:20.25,(4.24,3.54,;2.91,4.31,;2.28,5.72,;2,3.07,;2.48,1.6,;1.23,.7,;-.01,1.6,;.46,3.07,;-.44,4.31,;-1.98,4.31,;-2.75,2.98,;-2.75,5.65,;-3.15,7.14,;-4.24,6.05,;1.23,-.84,;-.03,.04,;-1.43,-.61,;-2.82,-1.26,;2.72,-1.24,;3.12,-2.73,;2.03,-3.82,;.54,-3.42,;.14,-1.93,;2.03,-5.36,;.94,-6.45,;-.55,-6.05,;-.95,-4.56,;-2.43,-4.16,;-3.52,-5.25,;-3.12,-6.74,;-1.64,-7.14,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccccc1F |r,wU:20.25,(4.24,4.29,;2.91,5.06,;2.28,6.47,;2,3.81,;2.48,2.35,;1.23,1.44,;-.01,2.35,;.46,3.81,;-.44,5.06,;-1.98,5.06,;-2.75,3.72,;-2.75,6.39,;-3.15,7.88,;-4.24,6.79,;1.23,-.1,;-.03,.79,;-1.43,.14,;-2.82,-.52,;.14,-1.19,;.54,-2.67,;2.03,-3.07,;3.12,-1.98,;2.72,-.5,;2.03,-4.61,;.94,-5.7,;-.55,-5.3,;-.95,-3.82,;-2.43,-3.42,;-3.52,-4.51,;-3.12,-5.99,;-1.64,-6.39,;-1.24,-7.88,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccccc1F |r,wD:20.25,(4.24,4.29,;2.91,5.06,;2.28,6.47,;2,3.81,;2.48,2.35,;1.23,1.44,;-.01,2.35,;.46,3.81,;-.44,5.06,;-1.98,5.06,;-2.75,3.72,;-2.75,6.39,;-3.15,7.88,;-4.24,6.79,;1.23,-.1,;-.03,.79,;-1.43,.14,;-2.82,-.52,;2.72,-.5,;3.12,-1.98,;2.03,-3.07,;.54,-2.67,;.14,-1.19,;2.03,-4.61,;.94,-5.7,;-.55,-5.3,;-.95,-3.82,;-2.43,-3.42,;-3.52,-4.51,;-3.12,-5.99,;-1.64,-6.39,;-1.24,-7.88,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1cccc(F)c1 |r,wU:20.25,(4.24,3.89,;2.91,4.66,;2.28,6.07,;2,3.41,;2.48,1.95,;1.23,1.04,;-.01,1.95,;.46,3.41,;-.44,4.66,;-1.98,4.66,;-2.75,3.33,;-2.75,5.99,;-3.15,7.48,;-4.24,6.39,;1.23,-.5,;-.03,.39,;-1.43,-.26,;-2.82,-.91,;.14,-1.58,;.54,-3.07,;2.03,-3.47,;3.12,-2.38,;2.72,-.89,;2.03,-5.01,;.94,-6.1,;-.55,-5.7,;-.95,-4.21,;-2.43,-3.82,;-3.52,-4.9,;-3.12,-6.39,;-4.21,-7.48,;-1.64,-6.79,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1cccc(F)c1 |r,wD:20.25,(4.24,3.89,;2.91,4.66,;2.28,6.07,;2,3.41,;2.48,1.95,;1.23,1.04,;-.01,1.95,;.46,3.41,;-.44,4.66,;-1.98,4.66,;-2.75,3.33,;-2.75,5.99,;-3.15,7.48,;-4.24,6.39,;1.23,-.5,;-.03,.39,;-1.43,-.26,;-2.82,-.91,;2.72,-.89,;3.12,-2.38,;2.03,-3.47,;.54,-3.07,;.14,-1.58,;2.03,-5.01,;.94,-6.1,;-.55,-5.7,;-.95,-4.21,;-2.43,-3.82,;-3.52,-4.9,;-3.12,-6.39,;-4.21,-7.48,;-1.64,-6.79,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccc(F)cc1 |r,wU:20.25,(4.63,3.54,;3.29,4.31,;2.67,5.72,;2.39,3.07,;2.86,1.6,;1.62,.7,;.37,1.6,;.85,3.07,;-.06,4.31,;-1.6,4.31,;-2.37,2.98,;-2.37,5.65,;-2.77,7.14,;-3.86,6.05,;1.62,-.84,;.36,.04,;-1.04,-.61,;-2.44,-1.26,;.53,-1.93,;.93,-3.42,;2.41,-3.82,;3.5,-2.73,;3.1,-1.24,;2.41,-5.36,;1.32,-6.45,;-.16,-6.05,;-.56,-4.56,;-2.05,-4.16,;-3.14,-5.25,;-4.63,-4.85,;-2.74,-6.74,;-1.25,-7.14,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccc(F)cc1 |r,wD:20.25,(4.63,3.54,;3.29,4.31,;2.67,5.72,;2.39,3.07,;2.86,1.6,;1.62,.7,;.37,1.6,;.85,3.07,;-.06,4.31,;-1.6,4.31,;-2.37,2.98,;-2.37,5.65,;-2.77,7.14,;-3.86,6.05,;1.62,-.84,;.36,.04,;-1.04,-.61,;-2.44,-1.26,;3.1,-1.24,;3.5,-2.73,;2.41,-3.82,;.93,-3.42,;.53,-1.93,;2.41,-5.36,;1.32,-6.45,;-.16,-6.05,;-.56,-4.56,;-2.05,-4.16,;-3.14,-5.25,;-4.63,-4.85,;-2.74,-6.74,;-1.25,-7.14,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccccc1Cl |r,wU:20.25,(4.24,4.29,;2.91,5.06,;2.28,6.47,;2,3.81,;2.48,2.35,;1.23,1.44,;-.01,2.35,;.46,3.81,;-.44,5.06,;-1.98,5.06,;-2.75,3.72,;-2.75,6.39,;-3.15,7.88,;-4.24,6.79,;1.23,-.1,;-.03,.79,;-1.43,.14,;-2.82,-.52,;.14,-1.19,;.54,-2.67,;2.03,-3.07,;3.12,-1.98,;2.72,-.5,;2.03,-4.61,;.94,-5.7,;-.55,-5.3,;-.95,-3.82,;-2.43,-3.42,;-3.52,-4.51,;-3.12,-5.99,;-1.64,-6.39,;-1.24,-7.88,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccccc1Cl |r,wD:20.25,(4.24,4.29,;2.91,5.06,;2.28,6.47,;2,3.81,;2.48,2.35,;1.23,1.44,;-.01,2.35,;.46,3.81,;-.44,5.06,;-1.98,5.06,;-2.75,3.72,;-2.75,6.39,;-3.15,7.88,;-4.24,6.79,;1.23,-.1,;-.03,.79,;-1.43,.14,;-2.82,-.52,;2.72,-.5,;3.12,-1.98,;2.03,-3.07,;.54,-2.67,;.14,-1.19,;2.03,-4.61,;.94,-5.7,;-.55,-5.3,;-.95,-3.82,;-2.43,-3.42,;-3.52,-4.51,;-3.12,-5.99,;-1.64,-6.39,;-1.24,-7.88,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccc(Cl)cc1 |r,wU:20.25,(4.63,3.54,;3.29,4.31,;2.67,5.72,;2.39,3.07,;2.86,1.6,;1.62,.7,;.37,1.6,;.85,3.07,;-.06,4.31,;-1.6,4.31,;-2.37,2.98,;-2.37,5.65,;-2.77,7.14,;-3.86,6.05,;1.62,-.84,;.36,.04,;-1.04,-.61,;-2.44,-1.26,;.53,-1.93,;.93,-3.42,;2.41,-3.82,;3.5,-2.73,;3.1,-1.24,;2.41,-5.36,;1.32,-6.45,;-.16,-6.05,;-.56,-4.56,;-2.05,-4.16,;-3.14,-5.25,;-4.63,-4.85,;-2.74,-6.74,;-1.25,-7.14,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccc(Cl)cc1 |r,wD:20.25,(4.63,3.54,;3.29,4.31,;2.67,5.72,;2.39,3.07,;2.86,1.6,;1.62,.7,;.37,1.6,;.85,3.07,;-.06,4.31,;-1.6,4.31,;-2.37,2.98,;-2.37,5.65,;-2.77,7.14,;-3.86,6.05,;1.62,-.84,;.36,.04,;-1.04,-.61,;-2.44,-1.26,;3.1,-1.24,;3.5,-2.73,;2.41,-3.82,;.93,-3.42,;.53,-1.93,;2.41,-5.36,;1.32,-6.45,;-.16,-6.05,;-.56,-4.56,;-2.05,-4.16,;-3.14,-5.25,;-4.63,-4.85,;-2.74,-6.74,;-1.25,-7.14,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccc(cc1)C#N |r,wU:20.25,(5.37,3.54,;4.04,4.31,;3.41,5.72,;3.13,3.07,;3.61,1.6,;2.36,.7,;1.11,1.6,;1.59,3.07,;.69,4.31,;-.85,4.31,;-1.62,2.98,;-1.62,5.65,;-2.02,7.14,;-3.11,6.05,;2.36,-.84,;1.1,.04,;-.3,-.61,;-1.69,-1.26,;1.27,-1.93,;1.67,-3.42,;3.16,-3.82,;4.25,-2.73,;3.85,-1.24,;3.16,-5.36,;2.07,-6.45,;.58,-6.05,;.18,-4.56,;-1.31,-4.16,;-2.48,-5.19,;-2,-6.74,;-.51,-7.14,;-3.96,-4.77,;-5.44,-4.36,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccc(cc1)C#N |r,wD:20.25,(5.37,3.54,;4.04,4.31,;3.41,5.72,;3.13,3.07,;3.61,1.6,;2.36,.7,;1.11,1.6,;1.59,3.07,;.69,4.31,;-.85,4.31,;-1.62,2.98,;-1.62,5.65,;-2.02,7.14,;-3.11,6.05,;2.36,-.84,;1.1,.04,;-.3,-.61,;-1.69,-1.26,;3.85,-1.24,;4.25,-2.73,;3.16,-3.82,;1.67,-3.42,;1.27,-1.93,;3.16,-5.36,;2.07,-6.45,;.58,-6.05,;.18,-4.56,;-1.31,-4.16,;-2.48,-5.19,;-2,-6.74,;-.51,-7.14,;-3.96,-4.77,;-5.44,-4.36,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1cccc(c1)C#N |r,wU:20.25,(4.77,4.43,;3.44,5.2,;2.81,6.61,;2.53,3.96,;3.01,2.49,;1.76,1.59,;.52,2.49,;.99,3.96,;.09,5.2,;-1.45,5.2,;-2.22,3.87,;-2.22,6.54,;-2.62,8.03,;-3.71,6.94,;1.76,.05,;.5,.93,;-.89,.28,;-2.29,-.37,;.67,-1.04,;1.07,-2.53,;2.56,-2.93,;3.65,-1.84,;3.25,-.35,;2.56,-4.47,;1.47,-5.56,;-.02,-5.16,;-.42,-3.67,;-1.9,-3.27,;-2.99,-4.36,;-2.63,-5.94,;-1.11,-6.25,;-3.7,-7.04,;-4.78,-8.15,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1cccc(c1)C#N |r,wD:20.25,(4.77,4.43,;3.44,5.2,;2.81,6.61,;2.53,3.96,;3.01,2.49,;1.76,1.59,;.52,2.49,;.99,3.96,;.09,5.2,;-1.45,5.2,;-2.22,3.87,;-2.22,6.54,;-2.62,8.03,;-3.71,6.94,;1.76,.05,;.5,.93,;-.89,.28,;-2.29,-.37,;3.25,-.35,;3.65,-1.84,;2.56,-2.93,;1.07,-2.53,;.67,-1.04,;2.56,-4.47,;1.47,-5.56,;-.02,-5.16,;-.42,-3.67,;-1.9,-3.27,;-2.99,-4.36,;-2.63,-5.94,;-1.11,-6.25,;-3.7,-7.04,;-4.78,-8.15,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCCC(F)(F)F |r,wU:20.25,(4.24,3.2,;2.91,3.97,;2.28,5.38,;2,2.72,;2.48,1.26,;1.23,.35,;-.01,1.26,;.46,2.72,;-.44,3.97,;-1.98,3.97,;-2.75,2.64,;-2.75,5.3,;-3.15,6.79,;-4.24,5.7,;1.23,-1.19,;-.03,-.3,;-1.43,-.95,;-2.82,-1.6,;.14,-2.28,;.54,-3.76,;2.03,-4.16,;3.12,-3.07,;2.72,-1.58,;2.03,-5.7,;.94,-6.79,;-.55,-6.39,;-.95,-4.9,;.14,-3.82,;-2.43,-4.51,;-1.34,-3.42,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCCC(F)(F)F |r,wD:20.25,(4.24,3.2,;2.91,3.97,;2.28,5.38,;2,2.72,;2.48,1.26,;1.23,.35,;-.01,1.26,;.46,2.72,;-.44,3.97,;-1.98,3.97,;-2.75,2.64,;-2.75,5.3,;-3.15,6.79,;-4.24,5.7,;1.23,-1.19,;-.03,-.3,;-1.43,-.95,;-2.82,-1.6,;2.72,-1.58,;3.12,-3.07,;2.03,-4.16,;.54,-3.76,;.14,-2.28,;2.03,-5.7,;.94,-6.79,;-.55,-6.39,;-.95,-4.9,;.14,-3.82,;-2.43,-4.51,;-1.34,-3.42,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccc(cc1)-c1ccccc1 |r,wU:20.25,(6.11,3.54,;4.78,4.31,;4.15,5.72,;3.87,3.07,;4.35,1.6,;3.1,.7,;1.86,1.6,;2.33,3.07,;1.43,4.31,;-.11,4.31,;-.88,2.98,;-.88,5.65,;-1.28,7.14,;-2.37,6.05,;3.1,-.84,;1.84,.04,;.45,-.61,;-.95,-1.26,;2.02,-1.93,;2.41,-3.42,;3.9,-3.82,;4.99,-2.73,;4.59,-1.24,;3.9,-5.36,;2.81,-6.45,;1.32,-6.05,;.93,-4.56,;-.56,-4.16,;-1.65,-5.25,;-1.25,-6.74,;.24,-7.14,;-3.14,-4.85,;-3.54,-3.36,;-5.02,-2.96,;-6.11,-4.05,;-5.71,-5.54,;-4.23,-5.94,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NCc1ccc(cc1)-c1ccccc1 |r,wD:20.25,(6.11,3.54,;4.78,4.31,;4.15,5.72,;3.87,3.07,;4.35,1.6,;3.1,.7,;1.86,1.6,;2.33,3.07,;1.43,4.31,;-.11,4.31,;-.88,2.98,;-.88,5.65,;-1.28,7.14,;-2.37,6.05,;3.1,-.84,;1.84,.04,;.45,-.61,;-.95,-1.26,;4.59,-1.24,;4.99,-2.73,;3.9,-3.82,;2.41,-3.42,;2.02,-1.93,;3.9,-5.36,;2.81,-6.45,;1.32,-6.05,;.93,-4.56,;-.56,-4.16,;-1.65,-5.25,;-1.25,-6.74,;.24,-7.14,;-3.14,-4.85,;-3.54,-3.36,;-5.02,-2.96,;-6.11,-4.05,;-5.71,-5.54,;-4.23,-5.94,)|
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NC(=O)c1cn(nc1NC(=O)C1CC1)[C@]1(CC#N)CC[C@@H](CC1)N1CC(C1)(OCc1ccccc1)C(F)(F)F |r,wD:14.15,20.25,(-.01,4.88,;-1.5,5.28,;-2.12,6.68,;-2.4,4.03,;-1.93,2.57,;-3.17,1.66,;-4.42,2.57,;-3.94,4.03,;-4.85,5.28,;-6.38,5.12,;-7.01,3.71,;-7.29,6.36,;-7.45,7.89,;-8.69,6.99,;-3.17,.12,;-4.66,.52,;-5.75,-.57,;-6.84,-1.66,;-1.69,.52,;-.6,-.57,;-1,-2.06,;-2.48,-2.45,;-3.57,-1.37,;.09,-3.14,;-.06,-4.68,;1.47,-4.83,;1.63,-3.3,;3.01,-4.98,;4.09,-3.89,;5.63,-4.05,;6.26,-5.45,;7.79,-5.6,;8.69,-4.35,;8.06,-2.95,;6.53,-2.8,;1.32,-6.36,;-.21,-6.21,;2.85,-6.51,;1.17,-7.89,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)[C@@]1(CC#N)CC[C@@H](CC1)N1CC(C1)(OCc1ccccc1)C(F)(F)F |r,wU:20.25,wD:14.15,(-.01,4.88,;-1.5,5.28,;-2.12,6.68,;-2.4,4.03,;-1.93,2.57,;-3.17,1.66,;-4.42,2.57,;-3.94,4.03,;-4.85,5.28,;-6.38,5.12,;-7.01,3.71,;-7.29,6.36,;-7.45,7.89,;-8.69,6.99,;-3.17,.12,;-4.66,.52,;-5.75,-.57,;-6.84,-1.66,;-3.57,-1.37,;-2.48,-2.45,;-1,-2.06,;-.6,-.57,;-1.69,.52,;.09,-3.14,;-.06,-4.68,;1.47,-4.83,;1.63,-3.3,;3.01,-4.98,;4.09,-3.89,;5.63,-4.05,;6.26,-5.45,;7.79,-5.6,;8.69,-4.35,;8.06,-2.95,;6.53,-2.8,;1.32,-6.36,;-.21,-6.21,;2.85,-6.51,;1.17,-7.89,)|
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CC(C)OC1(CN(C1)[C@H]1CC[C@@](CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1)C(F)(F)F |r,wU:8.8,wD:11.18,(7.16,-4.05,;5.63,-3.89,;5.11,-2.44,;4.54,-4.98,;3.01,-4.83,;1.47,-4.68,;1.63,-3.14,;3.16,-3.3,;.54,-2.06,;-.95,-2.45,;-2.04,-1.37,;-1.64,.12,;-3.13,.52,;-4.22,-.57,;-5.31,-1.66,;-.15,.52,;.94,-.57,;-1.64,1.66,;-.39,2.57,;-.87,4.03,;.03,5.28,;1.52,4.88,;-.59,6.68,;-2.41,4.03,;-3.32,5.28,;-4.85,5.12,;-5.47,3.71,;-5.75,6.36,;-5.91,7.89,;-7.16,6.99,;-2.89,2.57,;2.85,-6.36,;1.32,-6.21,;4.39,-6.51,;2.7,-7.89,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)[C@]1(CC#N)CC[C@@H](CC1)N1CC(O)(C1)C(F)(F)F |r,wD:14.15,20.25,(2.83,4.88,;1.35,5.28,;.72,6.68,;.44,4.03,;.92,2.57,;-.33,1.66,;-1.58,2.57,;-1.1,4.03,;-2.01,5.28,;-3.54,5.12,;-4.16,3.71,;-4.44,6.36,;-4.6,7.89,;-5.85,6.99,;-.33,.12,;-1.82,.52,;-2.91,-.57,;-4,-1.66,;1.16,.52,;2.25,-.57,;1.85,-2.06,;.36,-2.45,;-.73,-1.37,;2.94,-3.14,;2.78,-4.68,;4.32,-4.83,;5.85,-4.98,;4.47,-3.3,;4.16,-6.36,;2.63,-6.21,;5.7,-6.51,;4.01,-7.89,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)[C@@]1(CC#N)CC[C@@H](CC1)N1CC(O)(C1)C(F)(F)F |r,wU:20.25,wD:14.15,(2.83,4.88,;1.35,5.28,;.72,6.68,;.44,4.03,;.92,2.57,;-.33,1.66,;-1.58,2.57,;-1.1,4.03,;-2.01,5.28,;-3.54,5.12,;-4.16,3.71,;-4.44,6.36,;-4.6,7.89,;-5.85,6.99,;-.33,.12,;-1.82,.52,;-2.91,-.57,;-4,-1.66,;-.73,-1.37,;.36,-2.45,;1.85,-2.06,;2.25,-.57,;1.16,.52,;2.94,-3.14,;2.78,-4.68,;4.32,-4.83,;5.85,-4.98,;4.47,-3.3,;4.16,-6.36,;2.63,-6.21,;5.7,-6.51,;4.01,-7.89,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(c(O)c2)-c2cccc(F)c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(c(F)c2)-c2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(-c3csc(Cl)c3)c(F)c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccccc2F)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2cccc(F)c2)CC1
CN(C)C(=O)c1ccccc1-c1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
CN(C)C(=O)c1cccc(c1)-c1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2cccc(Cl)c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccc(Cl)cc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccc(Cl)s2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2csc(Cl)c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2cccc(c2)C(F)(F)F)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)CC1
COc1cccc(c1)-c1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
COc1ccc(cc1)-c1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
CCc1cccc(c1)-c1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
CCc1ccc(cc1)-c1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2cccc(CO)c2)CC1
COCc1cccc(c1)-c1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2cccnc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccncc2)CC1
Cc1cc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)ccc1-c1ccccc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)c(c2)C#N)CC1
COc1cc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)ccc1-c1ccccc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(c(Cl)c2)-c2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)[C@@]1(CC#N)CCN(Cc2ccccc2)C[C@@H]1F |r|
NC(=O)c1cn(nc1NC(=O)C1CC1)[C@@]1(CC#N)CCN(Cc2ccccc2)C[C@H]1F |r|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(nc2)-c2ccc(cc2)C(F)(F)F)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CC1)C(=O)C1CC(F)(F)C1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CC1)C(=O)CCC(F)(F)F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CC1)C(=O)CC(F)(F)F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CC1)C(=O)C(F)(F)F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NC1CC(F)(F)C1 |r,wU:20.25,(4.24,3.97,;2.91,4.74,;2.59,6.25,;2,3.49,;2.48,2.03,;1.23,1.12,;-.01,2.03,;.46,3.49,;-.44,4.74,;-1.98,4.74,;-2.75,3.41,;-2.75,6.07,;-3.15,7.56,;-4.24,6.47,;1.23,-.42,;-.03,.47,;-1.43,-.18,;-2.82,-.83,;.14,-1.51,;.54,-2.99,;2.03,-3.39,;3.12,-2.3,;2.72,-.81,;2.03,-4.93,;.7,-5.7,;-.79,-5.3,;-1.19,-6.79,;-2.52,-7.56,;-2.28,-5.7,;.3,-7.19,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NC1CC(F)(F)C1 |r,wD:20.25,(4.24,3.97,;2.91,4.74,;2.59,6.25,;2,3.49,;2.48,2.03,;1.23,1.12,;-.01,2.03,;.46,3.49,;-.44,4.74,;-1.98,4.74,;-2.75,3.41,;-2.75,6.07,;-3.15,7.56,;-4.24,6.47,;1.23,-.42,;-.03,.47,;-1.43,-.18,;-2.82,-.83,;2.72,-.81,;3.12,-2.3,;2.03,-3.39,;.54,-2.99,;.14,-1.51,;2.03,-4.93,;.7,-5.7,;-.79,-5.3,;-1.19,-6.79,;-2.52,-7.56,;-2.28,-5.7,;.3,-7.19,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NC1CCC(F)(F)CC1 |r,wU:20.25,(4.24,3.98,;2.91,4.75,;2.59,6.26,;2,3.51,;2.48,2.04,;1.23,1.14,;-.01,2.04,;.46,3.51,;-.44,4.75,;-1.98,4.75,;-2.75,3.42,;-2.75,6.09,;-3.15,7.57,;-4.24,6.49,;1.23,-.4,;-.03,.48,;-1.43,-.17,;-2.82,-.82,;.14,-1.49,;.54,-2.98,;2.03,-3.38,;3.12,-2.29,;2.72,-.8,;2.03,-4.92,;.7,-5.69,;-.39,-4.6,;-1.88,-5,;-2.28,-6.49,;-3.61,-7.26,;-3.37,-5.4,;-1.19,-7.57,;.3,-7.18,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)NC1CCC(F)(F)CC1 |r,wD:20.25,(4.24,3.98,;2.91,4.75,;2.59,6.26,;2,3.51,;2.48,2.04,;1.23,1.14,;-.01,2.04,;.46,3.51,;-.44,4.75,;-1.98,4.75,;-2.75,3.42,;-2.75,6.09,;-3.15,7.57,;-4.24,6.49,;1.23,-.4,;-.03,.48,;-1.43,-.17,;-2.82,-.82,;2.72,-.8,;3.12,-2.29,;2.03,-3.38,;.54,-2.98,;.14,-1.49,;2.03,-4.92,;.7,-5.69,;-.39,-4.6,;-1.88,-5,;-2.28,-6.49,;-3.61,-7.26,;-3.37,-5.4,;-1.19,-7.57,;.3,-7.18,)|
NC(=O)c1cn(nc1NC(=O)[C@H]1C[C@H]1C1CC1)C1(CC#N)CCN(CC(F)(F)F)CC1 |r|
NC(=O)c1cn(nc1NC(=O)[C@H]1C[C@@H]1C1CC1)C1(CC#N)CCN(CC(F)(F)F)CC1 |r|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)N1CC(F)(F)C1 |r,wD:20.25,(4.32,4.89,;2.83,5.28,;2.51,6.79,;1.93,4.04,;2.4,2.57,;1.16,1.67,;-.09,2.57,;.39,4.04,;-.52,5.28,;-2.06,5.28,;-2.83,3.95,;-2.83,6.62,;-3.23,8.1,;-4.32,7.02,;1.16,.13,;1.81,1.52,;3.34,1.66,;4.87,1.79,;2.64,-.27,;3.04,-1.76,;1.95,-2.85,;.46,-2.45,;.07,-.96,;1.95,-4.39,;.86,-5.48,;1.95,-6.56,;1.95,-8.1,;.62,-7.33,;3.04,-5.48,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)N1CC(F)(F)C1 |r,wU:20.25,(4.32,4.89,;2.83,5.28,;2.51,6.79,;1.93,4.04,;2.4,2.57,;1.16,1.67,;-.09,2.57,;.39,4.04,;-.52,5.28,;-2.06,5.28,;-2.83,3.95,;-2.83,6.62,;-3.23,8.1,;-4.32,7.02,;1.16,.13,;1.81,1.52,;3.34,1.66,;4.87,1.79,;.07,-.96,;.46,-2.45,;1.95,-2.85,;3.04,-1.76,;2.64,-.27,;1.95,-4.39,;.86,-5.48,;1.95,-6.56,;1.95,-8.1,;.62,-7.33,;3.04,-5.48,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CC[C@@H](CC1)N1CC(F)C1 |r,wD:20.25,(4.24,4.51,;2.91,5.28,;2.59,6.79,;2,4.04,;2.48,2.57,;1.23,1.67,;-.01,2.57,;.46,4.04,;-.44,5.28,;-1.98,5.28,;-2.75,3.95,;-2.75,6.62,;-3.15,8.1,;-4.24,7.02,;1.23,.13,;-.03,1.01,;-1.43,.36,;-2.82,-.29,;2.72,-.27,;3.12,-1.76,;2.03,-2.85,;.54,-2.45,;.14,-.96,;2.03,-4.39,;.94,-5.48,;2.03,-6.56,;2.03,-8.1,;3.12,-5.48,)|
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CC(OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1)C1CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CCc2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccccc2F)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccccn2)CC1
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(c(O)c2)-c2ccccc2)CC1
CCOC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(c(O)c2)-c2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(nc2F)-c2ccccc2)CC1
CCc1ccc(cc1)-c1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1O
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(-c3ccn(CC(F)(F)F)n3)c(F)c2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cc(O)c(cc2F)-c2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1C#N)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccccc2)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(nc2)-c2ccccc2)CC1F
Cc1c(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)ccc(c1O)-c1ccccc1
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(c(O)c2)-c2ccccc2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(nc2)-c2ccccc2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2)-n2nccn2)CC1
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(nc2F)-c2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-n2nccn2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2)-n2nccn2)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(nc2F)-c2ccccc2)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cnc(cc2F)-c2ccccc2)CC1
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(nc2F)-c2ccccc2)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2O)-c2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCC(CC1)N1CC(F)(C1)c1ccccc1 |(.65,6.48,;-.83,6.04,;-1.95,7.1,;-1.19,4.55,;-.19,3.37,;-.99,2.06,;-2.49,2.42,;-2.61,3.96,;-3.7,5.05,;-5.19,4.65,;-5.59,3.16,;-6.28,5.74,;-6.68,7.22,;-7.77,6.13,;-.41,.64,;-1.89,.24,;-2.29,-1.25,;-2.69,-2.74,;-.41,-.9,;.93,-1.67,;2.26,-.9,;2.26,.64,;.93,1.41,;3.6,-1.67,;3.99,-3.16,;5.48,-2.76,;6.97,-2.36,;5.08,-1.27,;5.88,-4.25,;4.79,-5.34,;5.19,-6.82,;6.68,-7.22,;7.77,-6.13,;7.37,-4.65,)|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2cc(O)c(cc2F)-c2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2cc(O)c(cc2F)-c2ccccc2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2cc(O)c(cc2F)-c2ccccc2)CC1F
NC(=O)c1cn(nc1NC(=O)OC1CC1)C1(CC#N)CCN(Cc2ccc(c(O)c2)-c2ccccc2)CC1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCC(CC1)Oc1ccc(cc1)-c1ccccc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCC(CC1)Oc1ccc(cc1)-c1ccccc1
CCc1ccc(cc1)-c1ccc(CN2CCC(CC#N)(C(F)C2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1O
Cc1c(CN2CCC(CC#N)(C(F)C2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)ccc(c1O)-c1ccccc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccoc2)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccco2)CC1F
CCn1ccc(n1)-c1ccc(CN2CCC(CC#N)(C(F)C2)n2cc(C(N)=O)c(NC(=O)OC)n2)cc1
CCn1ccc(n1)-c1ccc(CN2CCC(CC#N)(C(F)C2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
NC(=O)c1cn(nc1NC(=O)C1CC1C#N)C1(CC#N)CCN(Cc2ccc(cc2F)-c2ccccc2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccco2)CC1F
CCc1ccc(cc1)-c1ccc(CN2CCC(CC#N)(C(F)C2)n2cc(C(N)=O)c(NC(=O)C3CC3C#N)n2)cc1O
Cc1ccc(o1)-c1ccc(CN2CCC(CC#N)(C(F)C2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(-c3ccco3)c(O)c2)CC1F
CCOC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2)-n2nccn2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(nc2F)-c2ccco2)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1C#N)C1(CC#N)CCN(Cc2ccc(nc2F)-c2ccccc2)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1C#N)C1(CC#N)CCN(CC2CCC(CC2)c2ccccc2)CC1F |(-.56,5.37,;-1.89,4.6,;-3.22,5.37,;-1.89,3.06,;-.64,2.16,;-1.12,.69,;-2.66,.69,;-3.14,2.16,;-4.6,2.63,;-5.74,1.6,;-5.42,.1,;-7.21,2.08,;-8.24,3.22,;-8.72,1.76,;-10.2,2.16,;-11.69,2.55,;-.21,-.55,;-1.7,-.95,;-2.1,-2.44,;-2.5,-3.92,;-.84,-1.96,;.06,-3.2,;1.6,-3.04,;2.5,-4.29,;4.03,-4.13,;4.66,-2.72,;6.19,-2.56,;7.1,-3.81,;6.47,-5.21,;4.94,-5.37,;8.63,-3.65,;9.53,-4.89,;11.06,-4.73,;11.69,-3.32,;10.79,-2.08,;9.25,-2.24,;2.22,-1.64,;1.32,-.39,;1.94,1.02,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)C2=CCCCC2)CC1F |t:31|
NC(=O)c1cn(nc1NC(=O)C1CC1C#N)C1(CC#N)CCN(CC2CCC(CC2)c2ccccc2)CC1F |(-.71,5.37,;-2.04,4.6,;-3.38,5.37,;-2.04,3.06,;-.8,2.16,;-1.27,.69,;-2.81,.69,;-3.29,2.16,;-4.75,2.63,;-5.9,1.6,;-5.58,.1,;-7.36,2.08,;-8.39,3.22,;-8.87,1.76,;-10.2,2.53,;-11.54,3.3,;-.37,-.55,;-1.86,-.95,;-2.25,-2.44,;-2.65,-3.93,;-.99,-1.96,;-.09,-3.2,;1.44,-3.04,;2.35,-4.29,;3.88,-4.13,;4.78,-5.37,;6.32,-5.21,;6.94,-3.81,;6.04,-2.56,;4.51,-2.72,;8.47,-3.65,;9.38,-4.89,;10.91,-4.73,;11.54,-3.32,;10.63,-2.08,;9.1,-2.24,;2.07,-1.64,;1.16,-.39,;1.79,1.02,)|
CCc1ccc(o1)-c1ccc(CN2CCC(CC#N)(C(F)C2)n2cc(C(N)=O)c(NC(=O)OC)n2)cc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(CC2CCC(CC2)c2ccccc2)CC1F |(-2.04,5.37,;-3.38,4.6,;-4.71,5.37,;-3.38,3.06,;-2.13,2.16,;-2.61,.69,;-4.15,.69,;-4.62,2.16,;-6.09,2.63,;-7.23,1.6,;-6.91,.1,;-8.7,2.08,;-9.73,3.22,;-10.2,1.76,;-1.7,-.55,;-3.19,-.95,;-3.59,-2.44,;-3.99,-3.93,;-2.33,-1.96,;-1.42,-3.2,;.11,-3.04,;1.01,-4.29,;2.55,-4.13,;3.45,-5.37,;4.98,-5.21,;5.61,-3.81,;4.7,-2.56,;3.17,-2.72,;7.14,-3.65,;8.05,-4.89,;9.58,-4.73,;10.2,-3.32,;9.3,-2.08,;7.77,-2.24,;.73,-1.64,;-.17,-.39,;.46,1.02,)|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(CC2CCC(CC2)c2ccccc2)CC1F |(-10.02,1.05,;-8.88,2.08,;-7.41,1.6,;-7.09,.1,;-6.27,2.63,;-4.8,2.16,;-4.33,.69,;-2.79,.69,;-2.31,2.16,;-3.56,3.06,;-3.56,4.6,;-2.22,5.37,;-4.89,5.37,;-1.88,-.55,;-3.37,-.95,;-3.77,-2.44,;-4.17,-3.93,;-2.51,-1.96,;-1.6,-3.2,;-.07,-3.04,;.83,-4.29,;2.36,-4.13,;3.27,-5.37,;4.8,-5.21,;5.43,-3.81,;4.52,-2.56,;2.99,-2.72,;6.96,-3.65,;7.86,-4.89,;9.4,-4.73,;10.02,-3.32,;9.12,-2.08,;7.59,-2.24,;.55,-1.64,;-.35,-.39,;.28,1.02,)|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2cc(O)c(cc2F)-c2ccoc2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2cc(O)c(cc2F)-c2ccco2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(nc2F)-c2ccoc2)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1C#N)C1(CC#N)CCN(Cc2cc(O)c(cc2F)-c2ccccc2)CC1F
CCn1ccc(n1)-c1ccc(CN2CCC(CC#N)(C(F)C2)n2cc(C(N)=O)c(NC(=O)OC)n2)c(F)c1
CCn1ccc(n1)-c1ccc(CN2CCC(CC#N)(C(F)C2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)c(F)c1
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCC(CC1)N1CC(F)(C1)c1ccccc1 |(-5.87,7.75,;-4.35,7.51,;-3.8,6.07,;-4.77,4.88,;-2.28,5.83,;-1.72,4.4,;-2.56,3.1,;-1.59,1.91,;-.16,2.46,;-.24,4,;.96,4.97,;2.4,4.41,;.72,6.49,;-1.99,.42,;-3.48,.82,;-4.57,-.27,;-5.66,-1.36,;-2.76,-.91,;-1.99,-2.25,;-.45,-2.25,;.32,-.91,;-.45,.42,;.32,-3.58,;-.08,-5.07,;1.41,-5.47,;1.01,-6.96,;1.81,-3.98,;2.89,-5.87,;3.29,-7.35,;4.78,-7.75,;5.87,-6.66,;5.47,-5.18,;3.98,-4.78,)|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(-c3ccoc3)c(O)c2)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCC(CC1)Nc1ccc(cc1)-c1ccccc1 |(.33,3.38,;-1.16,3.78,;-1.56,5.27,;-2.25,2.69,;-1.77,1.23,;-3.02,.32,;-4.26,1.23,;-3.79,2.69,;-4.69,3.94,;-6.22,3.78,;-6.85,2.37,;-7.13,5.02,;-7.29,6.55,;-8.53,5.65,;-3.02,-1.22,;-4.35,-.45,;-5.68,-1.22,;-7.02,-1.99,;-3.79,-2.55,;-3.02,-3.89,;-1.48,-3.89,;-.71,-2.55,;-1.48,-1.22,;-.71,-5.22,;.83,-5.22,;1.6,-3.89,;3.14,-3.89,;3.91,-5.22,;3.14,-6.55,;1.6,-6.55,;5.45,-5.22,;6.22,-6.55,;7.76,-6.55,;8.53,-5.22,;7.76,-3.89,;6.22,-3.89,)|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccc(C)o2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(-c3ccc(C)o3)c(O)c2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2c(F)cc(c(O)c2F)-c2ccccc2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2)-c2csc(C)n2)CC1F
Cc1c(CN2CCC(CC#N)(C(F)C2)n2cc(C(N)=O)c(NC(=O)C3CC3C#N)n2)ccc(c1O)-c1ccccc1
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2cnc(cc2F)-c2ccccc2)CC1F
CCc1nc(cs1)-c1ccc(CN2CCC(CC#N)(C(F)C2)n2cc(C(N)=O)c(NC(=O)OC)n2)cc1
Cc1cnn(n1)-c1ccc(CN2CCC(CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
NC(=O)c1cn(nc1NC(=O)C1CC1C#C)C1(CC#N)CCN(Cc2ccc(cc2)-c2ccccc2)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)-c2ncco2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2cc(O)c(cc2F)-c2ccc(C)o2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2)C2=CCCCC2)CC1F |t:29|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(C3=CCCCC3)c(O)c2)CC1F |t:26|
CC(=C)c1ccc(CN2CCC(CC#N)(C(F)C2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)C#C)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)C2=CCCC2)CC1F |t:31|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCC(CC1)Nc1ccc(cc1)-c1ccccc1 |(-10.29,2.06,;-8.92,2.76,;-7.63,1.91,;-7.72,.38,;-6.25,2.61,;-4.96,1.76,;-4.89,.22,;-3.4,-.18,;-2.56,1.11,;-3.53,2.31,;-3.12,3.79,;-1.63,4.19,;-4.2,4.89,;-2.63,-1.51,;-4.12,-1.91,;-4.52,-3.4,;-4.92,-4.89,;-2.63,-3.05,;-1.3,-3.82,;.03,-3.05,;.03,-1.51,;-1.3,-.74,;1.37,-3.82,;2.85,-3.43,;3.94,-4.51,;5.43,-4.12,;5.83,-2.63,;4.74,-1.54,;3.25,-1.94,;7.32,-2.23,;8.41,-3.32,;9.89,-2.92,;10.29,-1.43,;9.2,-.34,;7.71,-.74,)|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(c(O)c2F)-c2ccccc2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(nc2F)C2=CCCCC2)CC1F |t:30|
CCc1ccc(cc1)C1(F)CN(C1)C1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1 |(8.32,-8.09,;6.83,-7.69,;6.43,-6.21,;4.94,-5.81,;4.54,-4.32,;5.63,-3.23,;7.12,-3.63,;7.52,-5.12,;5.23,-1.74,;6.72,-1.34,;3.75,-2.14,;3.35,-.65,;4.84,-.26,;2.01,.12,;.68,-.65,;-.65,.12,;-.65,1.66,;-2.14,1.26,;-2.54,-.23,;-2.94,-1.72,;.68,2.43,;2.01,1.66,;-1.42,2.99,;-.52,4.24,;-1.42,5.48,;-.94,6.95,;.56,7.26,;-1.97,8.09,;-2.89,5.01,;-4.13,5.91,;-5.54,5.29,;-5.7,3.76,;-6.78,6.19,;-7.41,7.6,;-8.32,6.36,;-2.89,3.47,)|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCC(CC1)Nc1ccc(cc1)-c1ccco1 |(-10.05,2.06,;-8.67,2.76,;-7.38,1.91,;-7.47,.38,;-6.01,2.61,;-4.72,1.76,;-4.65,.22,;-3.16,-.18,;-2.32,1.11,;-3.28,2.31,;-2.88,3.79,;-1.39,4.19,;-3.96,4.89,;-2.39,-1.51,;-3.88,-1.91,;-4.28,-3.4,;-4.68,-4.89,;-2.39,-3.05,;-1.06,-3.82,;.28,-3.05,;.28,-1.51,;-1.06,-.74,;1.61,-3.82,;3.1,-3.43,;4.19,-4.51,;5.67,-4.12,;6.07,-2.63,;4.98,-1.54,;3.5,-1.94,;7.56,-2.23,;8.11,-.79,;9.65,-.87,;10.05,-2.36,;8.76,-3.2,)|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2)-n2ncc(C)n2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2)C2=CCCC2)CC1F |t:29|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(C3=CCCC3)c(O)c2)CC1F |t:26|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2)C#C)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)C2CCCCC2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(nc2F)C2=CCCC2)CC1F |t:30|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2cc(O)ccc2Cl)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2cc(O)c(cc2F)C(C)=C)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCC(CC1)Nc1ccc(cc1)C1=CCCC1 |t:34,(.69,3.38,;-.8,3.78,;-1.2,5.27,;-1.89,2.69,;-1.41,1.23,;-2.66,.32,;-3.91,1.23,;-3.43,2.69,;-4.34,3.94,;-5.87,3.78,;-6.49,2.37,;-6.77,5.02,;-6.93,6.55,;-8.18,5.65,;-2.66,-1.22,;-3.99,-.45,;-5.33,-1.22,;-6.66,-1.99,;-3.43,-2.55,;-2.66,-3.89,;-1.12,-3.89,;-.35,-2.55,;-1.12,-1.22,;-.35,-5.22,;1.19,-5.22,;1.96,-3.89,;3.5,-3.89,;4.27,-5.22,;3.5,-6.55,;1.96,-6.55,;5.81,-5.22,;6.71,-3.97,;8.18,-4.45,;8.18,-5.99,;6.71,-6.47,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCC(CC1)Nc1ccc(cc1)-c1ccco1 |(-1.31,4.19,;-2.79,3.79,;-3.88,4.89,;-3.2,2.31,;-2.23,1.11,;-3.08,-.18,;-4.56,.22,;-4.64,1.76,;-5.93,2.61,;-7.3,1.91,;-7.39,.38,;-8.59,2.76,;-9.36,4.09,;-10.13,2.76,;-2.31,-1.51,;-3.8,-1.91,;-4.2,-3.4,;-4.59,-4.89,;-2.31,-3.05,;-.98,-3.82,;.36,-3.05,;.36,-1.51,;-.98,-.74,;1.69,-3.82,;3.18,-3.43,;4.27,-4.51,;5.76,-4.12,;6.15,-2.63,;5.07,-1.54,;3.58,-1.94,;7.64,-2.23,;8.19,-.79,;9.73,-.87,;10.13,-2.36,;8.84,-3.2,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(c(O)c2)-n2nccn2)CC1
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2)-c2ncco2)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCC(CC1)Nc1ccc(cc1)C#C |(1.1,3.38,;-.39,3.78,;-.79,5.27,;-1.48,2.69,;-1,1.23,;-2.25,.32,;-3.49,1.23,;-3.02,2.69,;-3.92,3.94,;-5.45,3.78,;-6.08,2.37,;-6.36,5.02,;-6.52,6.55,;-7.76,5.65,;-2.25,-1.22,;-3.58,-.45,;-4.91,-1.22,;-6.25,-1.99,;-3.02,-2.55,;-2.25,-3.89,;-.71,-3.89,;.06,-2.55,;-.71,-1.22,;.06,-5.22,;1.6,-5.22,;2.37,-3.89,;3.91,-3.89,;4.68,-5.22,;3.91,-6.55,;2.37,-6.55,;6.22,-5.22,;7.76,-5.22,)|
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2Cl)C#C)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2)C2CC2)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCC(CC1)Nc1ccccc1 |(.71,4.19,;-.78,3.79,;-1.87,4.89,;-1.19,2.31,;-.22,1.11,;-1.07,-.18,;-2.55,.22,;-2.63,1.76,;-3.96,2.53,;-5.29,1.76,;-5.29,.22,;-6.63,2.53,;-7.4,3.87,;-8.17,2.53,;-.3,-1.51,;-1.78,-1.91,;-2.18,-3.4,;-2.58,-4.89,;-.3,-3.05,;1.04,-3.82,;2.37,-3.05,;2.37,-1.51,;1.04,-.74,;3.7,-3.82,;5.19,-3.43,;6.28,-4.51,;7.77,-4.12,;8.17,-2.63,;7.08,-1.54,;5.59,-1.94,)|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2cc(ccc2F)C(F)F)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(C=C)c(O)c2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2cc(O)c(C=C)cc2F)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(c(O)c2)-n2nccn2)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(c(O)c2)-n2nccn2)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCC(CC1)Nc1ccc(cc1)-n1nccn1 |(-1.73,5.37,;-3.06,4.6,;-4.4,5.37,;-3.06,3.06,;-1.82,2.16,;-2.29,.69,;-3.83,.69,;-4.31,2.16,;-5.77,2.63,;-6.92,1.6,;-6.6,.1,;-8.38,2.08,;-9.41,3.22,;-9.89,1.76,;-1.39,-.55,;-2.88,-.95,;-3.28,-2.44,;-3.67,-3.93,;-2.02,-1.96,;-1.11,-3.2,;.42,-3.04,;1.05,-1.64,;.14,-.39,;1.33,-4.29,;2.86,-4.13,;3.48,-2.72,;5.02,-2.56,;5.92,-3.81,;5.29,-5.21,;3.76,-5.37,;7.45,-3.65,;8.48,-4.79,;9.89,-4.16,;9.73,-2.63,;8.22,-2.31,)|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2Cl)C#C)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCC(CC1)Nc1ccccc1Cl
CC1(CN(C1)C1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1)Oc1ccc(OC(F)F)cc1 |(1.64,-6.46,;2.04,-4.97,;.52,-4.73,;.76,-3.21,;2.28,-3.45,;-.15,-1.96,;-1.68,-2.12,;-2.58,-.88,;-1.96,.53,;-3.44,.13,;-3.84,-1.36,;-4.24,-2.84,;-.43,.69,;.48,-.55,;-2.86,1.78,;-2.39,3.24,;-3.63,4.15,;-3.63,5.69,;-2.3,6.46,;-4.97,6.46,;-4.88,3.24,;-6.34,3.72,;-7.49,2.69,;-7.17,1.18,;-8.95,3.16,;-9.98,4.31,;-10.46,2.84,;-4.4,1.78,;3.53,-5.37,;4.61,-4.28,;6.1,-4.68,;7.19,-3.59,;6.79,-2.1,;7.88,-1.01,;9.37,-1.41,;9.77,-2.9,;10.46,-.32,;5.31,-1.7,;4.22,-2.79,)|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2cc(O)c(C)cc2F)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2cc(O)cc(F)c2)CC1F
CC1(CN(C1)C1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1)Oc1ccc(cc1)C#C |(2.38,-6.46,;2.78,-4.97,;1.26,-4.73,;1.5,-3.21,;3.02,-3.45,;.6,-1.96,;-.93,-2.12,;-1.84,-.88,;-1.21,.53,;-2.7,.13,;-3.1,-1.36,;-3.5,-2.84,;.32,.69,;1.22,-.55,;-2.12,1.78,;-1.64,3.24,;-2.89,4.15,;-2.89,5.69,;-1.55,6.46,;-4.22,6.46,;-4.13,3.24,;-5.6,3.72,;-6.74,2.69,;-6.42,1.18,;-8.21,3.16,;-9.24,4.31,;-9.71,2.84,;-3.66,1.78,;4.27,-5.37,;5.36,-4.28,;6.85,-4.68,;7.94,-3.59,;7.54,-2.1,;6.05,-1.7,;4.96,-2.79,;8.63,-1.01,;9.71,.08,)|
CC1(CN(C1)C1CCC(CC#N)(CC1)n1cc(C(N)=O)c(NC(=O)C2CC2)n1)Oc1ccc(cc1)C(F)(F)F |(2.18,-6.46,;2.58,-4.97,;1.06,-4.73,;1.3,-3.21,;2.82,-3.45,;.4,-1.96,;-1.13,-2.12,;-2.04,-.88,;-1.41,.53,;-2.9,.13,;-3.3,-1.36,;-3.7,-2.84,;.12,.69,;1.02,-.55,;-2.32,1.78,;-1.84,3.24,;-3.09,4.15,;-3.09,5.69,;-1.75,6.46,;-4.42,6.46,;-4.33,3.24,;-5.8,3.72,;-6.94,2.69,;-6.62,1.18,;-8.41,3.16,;-9.44,4.31,;-9.91,2.84,;-3.86,1.78,;4.07,-5.37,;5.16,-4.28,;6.65,-4.68,;7.74,-3.59,;7.34,-2.1,;5.85,-1.7,;4.76,-2.79,;8.43,-1.01,;9.91,-1.41,;8.03,.48,;9.52,.08,)|
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2cc(O)c(Br)cc2Cl)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2F)C#C)CC1F
COC(=O)Nc1nn(cc1C(N)=O)C1(CC#N)CCN(Cc2ccc(cc2)C#CC)CC1F
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCN(Cc2ccc(cc2)C#CC2CC2)CC1
Cc1ccc(OC2(C)CN(C2)[C@H]2CC[C@@](CC#N)(CC2)n2cc(C(N)=O)c(NC(=O)C3CC3)n2)cc1 |r,wU:11.11,wD:14.21,(9.17,-1.01,;8.08,-2.1,;8.48,-3.59,;7.39,-4.68,;5.9,-4.28,;4.81,-5.37,;3.33,-4.97,;2.93,-6.46,;1.81,-4.73,;2.05,-3.21,;3.57,-3.45,;1.14,-1.96,;-.39,-2.12,;-1.3,-.88,;-.67,.53,;-2.16,.13,;-2.56,-1.36,;-2.95,-2.84,;.86,.69,;1.77,-.55,;-1.57,1.78,;-1.1,3.24,;-2.34,4.15,;-2.34,5.69,;-1.01,6.46,;-3.68,6.46,;-3.59,3.24,;-5.05,3.72,;-6.2,2.69,;-5.88,1.18,;-7.66,3.16,;-8.69,4.31,;-9.17,2.84,;-3.11,1.78,;5.5,-2.79,;6.59,-1.7,)|
CCC1(CCN(Cc2cc(O)ccc2F)CC1)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)F)n1
CC[C@@]1(CC[C@@H](CC1)N1CC(C1)C(F)(F)F)n1cc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1 |r,wU:5.8,wD:2.17,(.04,-.81,;.44,.68,;1.93,1.08,;1.3,-.33,;2.21,-1.58,;3.74,-1.42,;4.36,-.01,;3.46,1.24,;4.64,-2.66,;4.4,-4.18,;5.92,-4.42,;6.16,-2.9,;7.01,-5.51,;6.61,-7,;8.5,-5.11,;7.41,-4.03,;1.02,2.32,;1.5,3.79,;.25,4.69,;.25,6.23,;1.59,7,;-1.08,7,;-.99,3.79,;-2.46,4.26,;-3.6,3.23,;-5.07,3.71,;-6.21,2.68,;-5.89,1.17,;-4.43,.69,;-3.28,1.72,;-7.04,.14,;-8.5,.62,;-7.81,-1.19,;-5.95,-.95,;-.52,2.32,)|
CCOP(=O)(OCC)c1ccc(Nc2nn(cc2C(N)=O)[C@@]2(CC#N)CC[C@@H](CC2)N2CC(C2)C(F)(F)F)cc1 |r,wU:27.31,wD:21.21,(-9.32,2.64,;-7.86,2.16,;-7.54,.65,;-6.07,.18,;-4.98,-.91,;-6.84,-1.16,;-8.38,-1.16,;-9.15,-2.49,;-4.93,1.21,;-5.25,2.71,;-4.1,3.75,;-2.64,3.27,;-1.5,4.3,;-.03,3.82,;.45,2.36,;1.99,2.36,;2.46,3.82,;1.22,4.73,;1.22,6.27,;2.55,7.04,;-.12,7.04,;2.89,1.11,;1.4,.71,;1,-.77,;.61,-2.26,;2.26,-.29,;3.17,-1.54,;4.7,-1.38,;5.33,.03,;4.42,1.27,;5.61,-2.62,;5.36,-4.15,;6.89,-4.39,;7.13,-2.87,;7.79,-5.63,;7.16,-7.04,;9.32,-5.47,;8.42,-4.23,;-2.32,1.76,;-3.46,.73,)|
CCC1(CCN(CC1)C(=O)CC#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)F)n1
CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C(N)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C(O)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C(=O)NC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C(=O)N(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(ccn2)C(O)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(ccn2)C(N)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(ccn2)C(=O)NC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(ccn2)C(=O)N(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cccc(n2)C(O)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cccc(n2)C(N)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cccc(n2)C(=O)NC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cccc(n2)C(=O)N(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(ncn2)C(N)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(ncn2)C(=O)NC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(ncn2)C(=O)N(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN(C)C)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CNC)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN(C)C)cn2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN(C)C)cn2)cc1Nc1cc(F)cc(-c2ncn(C)n2)c1OC
COc1c(Nc2cc(Nc3ccc(CN(C)C)cn3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1
CCC(=O)c1cnc(Nc2ccc(cn2)C(C)N)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C(C)NC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C(C)N(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)[C@@H](C)N(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)[C@H](C)N(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C(C)(C)N)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C(C)(C)NC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C(C)(C)N(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C2(N)CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C2(CC2)NC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C2(CC2)N(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN(C)C3CC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN(C)C(C)C)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCN(C)Cc1ccc(Nc2cc(Nc3cccc(-c4ncn(C)n4)c3OC)c(cn2)C(=O)CC)nc1
CCC(=O)c1cnc(Nc2ccc(cn2)C(N(C)C)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN(C)CC(F)(F)F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN(C)CC(F)F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C(C)NCC(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C(C)NCC(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN(C)CC#N)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)C(N)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CC(C3)OC)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CC(F)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CC(C3)C#N)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)[C@H](C)N2CC(O)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)[C@@H](C)N2CC(O)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CCCC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CC[C@@H](F)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CC[C@H](F)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)[C@H](C)N2CC[C@H](O)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)[C@@H](C)N2CC[C@H](O)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)[C@H](C)N2CC[C@@H](O)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)[C@@H](C)N2CC[C@@H](O)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)[C@H](C)N2C[C@@H](O)[C@H](O)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)[C@@H](C)N2C[C@@H](O)[C@H](O)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CCCCC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CCOCC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3[C@@H](C)COC[C@H]3C)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC |r|
CCC(=O)c1cnc(Nc2ccc(CN3C[C@H](C)O[C@H](C)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC |r|
CCC(=O)c1cnc(Nc2ccc(CN3CCS(=O)(=O)CC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CCS(=N)(=O)CC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3C4CC3COC4)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CC4(COC4)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CC4(CCO4)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)[C@H](C)N2CC3(COC3)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)[C@@H](C)N2CC3(COC3)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CC4(C3)CCOC4)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN(C)C3COC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN(C)C3CC(F)(F)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CNC)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN(C)C)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(nn2)C(C)N)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(nn2)C(C)NC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(nn2)C(C)N(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(nn2)C(C)(C)N)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(nn2)C(C)(C)NC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(nn2)C(C)(C)N(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CCCC3)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN3CCN(C)CC3)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(CN)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(CNC)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(CN(C)C)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(cn2)C(N)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(cn2)C(NC)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(cn2)C(N(C)C)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(CN(C)CC(F)(F)F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(cn2)C2(N)CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(cn2)C2(CC2)NC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(CN3CCCC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(CN3CCN(C)CC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ncc(CN3CCCC3)cc2F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ncc(CN(C)C)cc2F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ncc(CNC)cc2F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cccc(CN3CCCC3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cccc(CN3CCCCC3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cccc(CN3CCOCC3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(CN3CCCC3)ccn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(CN3CCCCC3)ccn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(CN3CCOCC3)ccn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(CN)ncn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(CNC)ncn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(CN3CCCC3)ncn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(ncn2)C(C)N)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(ncn2)C(C)NC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(ncn2)C(C)N(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CN(C)C)c(n2)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(c(CN(C)C)cn2)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2nccc(CN(C)C)c2F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2nc(CN(C)C)ccc2F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(CN(C)CC(F)F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OCCN3CCCC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CCN(C)C)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CCNC)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CCN3CCCC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CCN(C)C)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CCN3CCCC3)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(CCN(C)C)ncn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(CCN3CCCC3)ncn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(CCNC)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(CCN(C)C)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(CCN3CCCC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(C)(=O)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CS(C)(=O)=O)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(N)(=O)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(=O)(=O)NC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(=O)(=O)N(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(=O)(=O)N2CCOCC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CS(C)(=N)=O)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(=O)(=O)CC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(=O)(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(C)(=O)=O)cc1Nc1nccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(=O)(=O)CC)cc1Nc1nccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(=O)(=O)C2CC2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(C)(=N)=O)cc1Nc1nccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(CS(C)(=O)=O)cn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cccc(CS(C)(=O)=O)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
COc1c(Nc2cc(Nc3ccc(CS(C)(=O)=O)cn3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1
CCC(=O)c1cnc(Nc2ccc(cn2)S(C)(=O)=O)cc1Nc1cccc(CO)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(C)(=O)=O)cc1Nc1cccc(C(C)O)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(C)(=O)=O)cc1Nc1cccc(COC)c1OC
CCC(=O)c1cnc(Nc2ccc(CS(C)(=O)=O)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(CS(C)(=O)=O)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(nn2)C2(CC2)S(C)(=O)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(C)(=O)=O)cc1Nc1ccc(cc1OC)C(=O)N1CCCC1
CCC(=O)c1cnc(Nc2ccc(cn2)S(C)(=O)=O)cc1Nc1ccc(CO)cc1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(C)(=O)=O)cc1Nc1cccc(c1OC)C(C)(C)O
CCC(=O)c1cnc(Nc2ncc(cc2F)S(C)(=O)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ncc(CS(C)(=O)=O)cc2F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)S(C)(=N)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-n2ccccc2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-c2cn(C)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-c2ncn(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-c2cnn(C)c2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(ccn2)-c2cn(C)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(ccn2)-c2ncn(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(ccn2)-c2cnn(C)c2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-n2cccn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-n2ccnc2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-c2cn(C)cn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
COc1c(Nc2cc(Nc3ccc(cn3)-c3cn(C)cn3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1
COc1c(Nc2cc(Nc3ccc(cn3)-c3cn(C)cn3)ncc2C(=O)C2CC2)nccc1-c1ncn(C)n1
CCC(=O)c1cnc(Nc2ccc(cn2)-c2ncn(C)n2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
COc1c(Nc2cc(Nc3ccc(cn3)-c3ncn(C)n3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1
COc1c(Nc2cc(Nc3ccc(cn3)-c3ncn(C)n3)ncc2C(=O)C2CC2)nccc1-c1ncn(C)n1
CCC(=O)c1cnc(Nc2ccc(cn2)-n2ccnc2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
COc1c(Nc2cc(Nc3ccc(cn3)-n3ccnc3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1
COc1c(Nc2cc(Nc3ccc(cn3)-n3ccnc3)ncc2C(=O)C2CC2)nccc1-c1ncn(C)n1
CCC(=O)c1cnc(Nc2ccn(-c3ccccc3)c(=O)n2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(-c3ccccc3)c(=O)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-n2ccccc2=O)cc1Nc1nccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-n2ccncc2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-c2ccc[nH]c2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-n2ccnc(C)c2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-n2cnccc2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-n2nc(C)ccc2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ncc(cc2F)-n2ccccc2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc3B(O)OCc3c2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc3COB(O)c3cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)P(C)(C)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(cn2)-c2cccn(C)c2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(CN(C)C)ncn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
COc1c(Nc2cc(Nc3ccc(OCCO)cn3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1
COc1c(Nc2cc(Nc3ccc(OCCCO)cn3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1
CCC(=O)c1cnc(Nc2ccc(OCCOC)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OCC(C)(C)O)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OC[C@@H](O)CO)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OC[C@H](O)CO)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OC(CO)CO)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
COc1c(Nc2cc(Nc3ccc(OC[C@@H](O)CO)cn3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1
COc1c(Nc2cc(Nc3ccc(OC[C@H](O)CO)cn3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1
COc1c(Nc2cc(Nc3ccc(OC(CO)CO)cn3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1
CCC(=O)c1cnc(Nc2ccc(OC(C)(C)C(O)=O)c(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OCCO)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OCCCO)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccnc(OCCO)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCO)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCCO)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(O[C@H]3COC[C@@H]3O)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(O[C@H]3CN(C)C[C@@H]3O)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
COc1c(Nc2cc(Nc3ccc(OCCN(C)C)cn3)ncc2C(=O)C2CC2)cccc1-c1ncn(C)n1
CCC(=O)c1cnc(Nc2ccc(OC3CN(C)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(O[C@@H]3CCN(C)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(O[C@H]3CCN(C)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OC3CCN(C)CC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OC3COC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OCC3COC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(O[C@@H]3CCOC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OCCN3CCCC3)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OCCCN3CCCC3)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OC3CCN(C)CC3)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(O[C@@H]3CCN(C)C3)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(O[C@H]3CCN(C)C3)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccnc(OCCCN(C)C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccnc(OC3CCN(C)CC3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccnc(OC3CN(C)C3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccnc(O[C@H]3CCN(C)C3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccnc(O[C@@H]3CCN(C)C3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCN)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCNC)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OC3CN(C)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCN3CC(F)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCN3CC(F)(F)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(ON3CC(C3)C#N)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@@H]3CCNC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@H]3CCN(C)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@@H]3CCN(C)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCN3CCCC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCCN3CCCC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCN3CC[C@H](F)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCN3CC[C@@H](F)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCN3CCC(F)(F)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@H]3CN(C)C[C@@H]3F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@H]3CN(C)C[C@H]3F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@@H]3CCN(C)C3)cn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
CCN1CC[C@H](C1)Oc1cnc(Nc2cc(Nc3cccc(-c4ncn(C)n4)c3OC)c(cn2)C(=O)CC)cn1
CCC(=O)c1cnc(Nc2cnc(OC3CCN(C)CC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCN3CCN(C)CC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCN3CCOCC3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCn3cnc(C)c3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(OCCn3ccnc3C)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@@H]3CCN(C)C3)c(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@@H]3CCN(CC(F)F)C3)c(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@@H]3CCN(CC(F)(F)F)C3)c(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@@H]3C[C@H](C)N(C)C3)c(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@H]3CN[C@H](C3)C(F)F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@@H]3CCCN(C)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@H]3CCCN(C)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@H]3CN(C)CC3(F)F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@@H]3CCN(C)C[C@@H]3F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(O[C@H]3CCN(C)C[C@@H]3F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(O[C@H]3CN(C)C[C@@H]3F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(O[C@@H]3CCN(C)C3)cn2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
CCC(=O)c1cnc(Nc2ccc(O[C@@H]3CCN(C)C3)cn2)cc1Nc1cc(F)cc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ncc(O[C@@H]3CCN(C)C3)cc2F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(O[C@@H]3CCN(C)C3)c(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OC3COC3)c(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(O[C@@H]3CCOC3)c(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ncc(OC3COC3)cc2F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ncc(OCC3COC3)cc2F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccc(OC3CN(C)C3)nn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(cn2)C(F)(F)CN)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(cn2)C(F)(F)CNC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(cn2)C(F)(F)CN(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(cn2)C(F)(F)CO)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cnc(cn2)C(F)(F)CN2CCCC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(n2)[C@@H]2C[C@@H](C2)OC)cc1Nc1cccc(-c2ncn(C)n2)c1OC |r,wU:14.14,16.19,(5.63,6.62,;4.09,6.62,;3.32,5.29,;4.09,3.96,;1.78,5.29,;1.01,6.62,;-.53,6.62,;-1.3,5.29,;-2.84,5.29,;-3.61,3.96,;-5.15,3.96,;-5.63,2.49,;-4.38,1.59,;-3.14,2.49,;-4.38,.05,;-5.47,-1.04,;-4.38,-2.13,;-3.29,-1.04,;-4.38,-3.67,;-3.05,-4.44,;-.53,3.96,;1.01,3.96,;1.78,2.62,;1.01,1.29,;-.53,1.29,;-1.3,-.05,;-.53,-1.38,;1.01,-1.38,;1.78,-2.71,;3.32,-2.71,;3.79,-4.18,;2.55,-5.08,;2.55,-6.62,;1.3,-4.18,;1.78,-.05,;3.32,-.05,;4.09,1.29,)|
CCC(=O)c1cnc(Nc2ccn(CCOC)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(CCN3CCCC3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(n2)S(=O)(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(n2)-c2ccccn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2csc(CN3CCCC3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(CN3CCCC3)n(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2nc(CN3CCCC3)ns2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(CN3CCCC3)sn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(n2)[C@@H]2C[C@H](O)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC |r,wU:14.14,16.17,(5.55,6.65,;4.01,6.65,;3.24,5.32,;4.01,3.99,;1.7,5.32,;.93,6.65,;-.61,6.65,;-1.38,5.32,;-2.92,5.32,;-3.69,3.99,;-5.23,3.83,;-5.55,2.32,;-4.21,1.55,;-3.07,2.58,;-4.05,.02,;-5.02,-1.18,;-3.82,-2.15,;-3.66,-3.68,;-2.85,-.95,;-.61,3.99,;.93,3.99,;1.7,2.65,;.93,1.32,;-.61,1.32,;-1.38,-.01,;-.61,-1.35,;.93,-1.35,;1.7,-2.68,;3.23,-2.86,;3.53,-4.37,;2.18,-5.13,;2,-6.65,;1.05,-4.08,;1.7,-.01,;3.24,-.01,;4.01,1.32,)|
CCC(=O)c1cnc(Nc2ccn(n2)[C@H]2C[C@H](O)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC |r,wU:14.14,wD:16.17,(5.55,6.65,;4.01,6.65,;3.24,5.32,;4.01,3.99,;1.7,5.32,;.93,6.65,;-.61,6.65,;-1.38,5.32,;-2.92,5.32,;-3.69,3.99,;-5.23,3.83,;-5.55,2.32,;-4.21,1.55,;-3.07,2.58,;-4.05,.02,;-2.85,-.95,;-3.82,-2.15,;-3.66,-3.68,;-5.02,-1.18,;-.61,3.99,;.93,3.99,;1.7,2.65,;.93,1.32,;-.61,1.32,;-1.38,-.01,;-.61,-1.35,;.93,-1.35,;1.7,-2.68,;3.23,-2.86,;3.53,-4.37,;2.18,-5.13,;2,-6.65,;1.05,-4.08,;1.7,-.01,;3.24,-.01,;4.01,1.32,)|
CCC(=O)c1cnc(Nc2ccn(n2)[C@H]2C[C@@H](C2)OC)cc1Nc1cccc(-c2ncn(C)n2)c1OC |r,wU:14.14,wD:16.19,(5.55,6.65,;4.01,6.65,;3.24,5.32,;4.01,3.99,;1.7,5.32,;.93,6.65,;-.61,6.65,;-1.38,5.32,;-2.92,5.32,;-3.69,3.99,;-5.23,3.83,;-5.55,2.32,;-4.21,1.55,;-3.07,2.58,;-4.05,.02,;-2.85,-.95,;-3.82,-2.15,;-5.02,-1.18,;-3.66,-3.68,;-4.91,-4.58,;-.61,3.99,;.93,3.99,;1.7,2.65,;.93,1.32,;-.61,1.32,;-1.38,-.01,;-.61,-1.35,;.93,-1.35,;1.7,-2.68,;3.23,-2.86,;3.53,-4.37,;2.18,-5.13,;2,-6.65,;1.05,-4.08,;1.7,-.01,;3.24,-.01,;4.01,1.32,)|
CCC(=O)c1cnc(Nc2ccn(CCC#N)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(n2)[C@@H]2C[C@@H](C2)C#N)cc1Nc1cccc(-c2ncn(C)n2)c1OC |r,wU:14.14,16.19,(5.55,6.65,;4.01,6.65,;3.24,5.32,;4.01,3.99,;1.7,5.32,;.93,6.65,;-.61,6.65,;-1.38,5.32,;-2.92,5.32,;-3.69,3.99,;-5.23,3.83,;-5.55,2.32,;-4.21,1.55,;-3.07,2.58,;-4.05,.02,;-5.02,-1.18,;-3.82,-2.15,;-2.85,-.95,;-3.66,-3.68,;-3.5,-5.21,;-.61,3.99,;.93,3.99,;1.7,2.65,;.93,1.32,;-.61,1.32,;-1.38,-.01,;-.61,-1.35,;.93,-1.35,;1.7,-2.68,;3.23,-2.86,;3.53,-4.37,;2.18,-5.13,;2,-6.65,;1.05,-4.08,;1.7,-.01,;3.24,-.01,;4.01,1.32,)|
CCC(=O)c1cnc(Nc2ccn(n2)[C@H]2C[C@@H](C2)C#N)cc1Nc1cccc(-c2ncn(C)n2)c1OC |r,wU:14.14,wD:16.19,(5.55,6.65,;4.01,6.65,;3.24,5.32,;4.01,3.99,;1.7,5.32,;.93,6.65,;-.61,6.65,;-1.38,5.32,;-2.92,5.32,;-3.69,3.99,;-5.23,3.83,;-5.55,2.32,;-4.21,1.55,;-3.07,2.58,;-4.05,.02,;-2.85,-.95,;-3.82,-2.15,;-5.02,-1.18,;-3.66,-3.68,;-3.5,-5.21,;-.61,3.99,;.93,3.99,;1.7,2.65,;.93,1.32,;-.61,1.32,;-1.38,-.01,;-.61,-1.35,;.93,-1.35,;1.7,-2.68,;3.23,-2.86,;3.53,-4.37,;2.18,-5.13,;2,-6.65,;1.05,-4.08,;1.7,-.01,;3.24,-.01,;4.01,1.32,)|
CCC(=O)c1cnc(Nc2cn(cn2)[C@@H]2C[C@H](O)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC |r,wU:14.14,16.17,(7.95,6.65,;6.41,6.65,;5.64,5.32,;6.41,3.99,;4.1,5.32,;3.33,6.65,;1.79,6.65,;1.02,5.32,;-.52,5.32,;-1.29,3.99,;-2.82,3.83,;-3.14,2.32,;-1.81,1.55,;-.67,2.58,;-4.55,1.69,;-5.99,2.25,;-6.54,.81,;-7.95,.18,;-5.1,.26,;1.79,3.99,;3.33,3.99,;4.1,2.65,;3.33,1.32,;1.79,1.32,;1.02,-.01,;1.79,-1.35,;3.33,-1.35,;4.1,-2.68,;5.63,-2.86,;5.93,-4.37,;4.58,-5.13,;4.4,-6.65,;3.45,-4.08,;4.1,-.01,;5.64,-.01,;6.41,1.32,)|
CCC(=O)c1cnc(Nc2ccn(CC3(C)COC3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(CC3COC3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(CC3CCCO3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(CC3CCOC3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(CC3(CO)COC3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(CC3CCO3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(C[C@@H]3C[C@H](O)C3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC |r,wU:14.13,16.16,(6.93,6.65,;5.39,6.65,;4.62,5.32,;5.39,3.98,;3.08,5.32,;2.31,6.65,;.77,6.65,;-0,5.32,;-1.54,5.32,;-2.31,3.98,;-3.85,3.82,;-4.17,2.32,;-2.83,1.55,;-2.67,.02,;-3.92,-.89,;-5.44,-.65,;-5.68,-2.17,;-6.93,-3.07,;-4.16,-2.41,;-1.69,2.58,;.77,3.98,;2.31,3.98,;3.08,2.65,;2.31,1.32,;.77,1.32,;-0,-.02,;.77,-1.35,;2.31,-1.35,;3.08,-2.68,;4.61,-2.84,;4.93,-4.35,;3.59,-5.12,;3.43,-6.65,;2.45,-4.09,;3.08,-.02,;4.62,-.02,;5.39,1.32,)|
CCC(=O)c1cnc(Nc2ccn(CC3CN(C)C3)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(OC)n(CCOC)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(C)n(CCOC)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(OCCO)n(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2ccn(n2)[C@@H]2C[C@@H](C2)OC(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC |r,wU:14.14,16.19,(5.48,6.62,;3.94,6.62,;3.15,5.3,;3.94,3.98,;1.61,5.3,;.86,6.65,;-.68,6.68,;-1.47,5.36,;-3.01,5.36,;-3.81,4.01,;-5.33,3.67,;-5.48,2.11,;-4.05,1.49,;-3.01,2.66,;-3.71,-.01,;-4.54,-1.31,;-3.24,-2.14,;-2.41,-.84,;-2.91,-3.64,;-4.04,-4.68,;-4.04,-6.22,;-5.45,-4.06,;-.73,4.01,;.81,3.98,;1.61,2.63,;.84,1.3,;-.7,1.3,;-1.47,-.03,;-.7,-1.37,;.84,-1.37,;1.61,-2.7,;3.1,-3.1,;3.18,-4.64,;1.74,-5.19,;1.34,-6.68,;.77,-3.99,;1.61,-.03,;3.15,-.03,;3.92,1.3,)|
CCO[C@H]1C[C@H](C1)n1ccc(Nc2cc(Nc3cccc(-c4ncn(C)n4)c3OC)c(cn2)C(=O)CC)n1 |r,wU:5.7,3.2,(-3.75,-6.18,;-4.07,-4.67,;-2.93,-3.64,;-3.26,-2.13,;-4.55,-1.3,;-3.72,-0,;-2.43,-.84,;-4.05,1.5,;-5.47,2.13,;-5.31,3.67,;-3.79,4,;-3.01,5.34,;-1.47,5.34,;-.71,4,;.82,3.99,;1.61,2.65,;.84,1.31,;-.71,1.33,;-1.51,-0,;-.71,-1.36,;.84,-1.36,;1.61,-2.69,;3.09,-3.09,;3.17,-4.63,;1.74,-5.18,;1.34,-6.66,;.77,-3.98,;1.61,-.02,;3.15,-.02,;3.92,1.31,;1.61,5.31,;.85,6.65,;-.69,6.66,;3.15,5.31,;3.93,3.99,;3.93,6.64,;5.47,6.64,;-3.01,2.66,)|
CCC(=O)c1cnc(Nc2cc(C)n(n2)[C@@H]2C[C@H](O)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC |r,wU:15.15,17.18,(6.29,6.61,;4.75,6.61,;3.95,5.29,;4.75,3.98,;2.41,5.29,;1.67,6.65,;.13,6.68,;-.67,5.36,;-2.21,5.36,;-3.01,4.01,;-4.54,3.87,;-4.88,2.37,;-6.29,1.76,;-3.55,1.58,;-2.4,2.6,;-3.41,.05,;-4.39,-1.14,;-3.2,-2.12,;-3.06,-3.65,;-2.22,-.93,;.07,4.01,;1.61,3.98,;2.41,2.63,;1.64,1.3,;.07,1.35,;-.76,.01,;-.02,-1.37,;1.64,-1.37,;2.41,-2.7,;3.9,-3.1,;3.98,-4.64,;2.54,-5.19,;2.14,-6.68,;1.57,-4,;2.41,-.04,;3.95,-.04,;4.72,1.3,)|
CCC(=O)c1cnc(Nc2cc(C)n(n2)[C@@H]2C[C@@H](C2)OC)cc1Nc1cccc(-c2ncn(C)n2)c1OC |r,wU:15.15,17.20,(6.24,6.65,;4.7,6.65,;3.93,5.32,;4.7,3.98,;2.39,5.32,;1.62,6.65,;.08,6.65,;-.69,5.32,;-2.23,5.32,;-3,3.98,;-4.53,3.82,;-4.84,2.31,;-6.24,1.68,;-3.5,1.54,;-2.36,2.58,;-3.34,.01,;-4.31,-1.18,;-3.1,-2.15,;-2.13,-.95,;-2.93,-3.68,;-4.18,-4.59,;.08,3.98,;1.62,3.98,;2.39,2.65,;1.62,1.32,;.08,1.32,;-.69,-.02,;.08,-1.35,;1.62,-1.35,;2.39,-2.68,;3.93,-2.84,;4.25,-4.35,;2.91,-5.12,;2.75,-6.65,;1.77,-4.09,;2.39,-.02,;3.93,-.02,;4.7,1.32,)|
CCO[C@H]1C[C@H](C1)n1nc(Nc2cc(Nc3cccc(-c4ncn(C)n4)c3OC)c(cn2)C(=O)CC)cc1C |r,wU:5.7,3.2,(-4.07,-6.11,;-4.23,-4.58,;-2.98,-3.68,;-3.14,-2.14,;-4.33,-1.17,;-3.36,.02,;-2.17,-.95,;-3.52,1.55,;-2.37,2.58,;-2.99,3.99,;-2.22,5.33,;-.68,5.33,;.09,3.99,;1.63,3.98,;2.4,2.65,;1.63,1.31,;.09,1.32,;-.7,-.01,;.09,-1.35,;1.63,-1.35,;2.4,-2.69,;3.93,-2.85,;4.25,-4.36,;2.92,-5.13,;2.76,-6.66,;1.78,-4.1,;2.4,-.02,;3.94,-.02,;4.71,1.31,;2.4,5.31,;1.64,6.65,;.1,6.66,;3.94,5.31,;4.72,3.98,;4.72,6.64,;6.26,6.64,;-4.53,3.83,;-4.85,2.33,;-6.26,1.7,)|
CCC(=O)c1cnc(Nc2ccn(n2)C2CC(F)(F)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)C2CC2c2cnn(C)c2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)C2CC2c2ccccn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2C(O)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2CN(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2C(N)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H]2C(N)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2NC(C)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H]2NC(C)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2CC#N)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)C2CC2c2ccn(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2CS(C)(=O)=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)CC2CCN(C)CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)CC2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)CC2(O)CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)CCN2CCCC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)CCCN2CCCC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)CCc2cnn(C)c2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)CC2CN(C)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)CCNC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(Nc2cc(OCCOC)n(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(cc(-c2ncn(C)n2)c1OC)C#N
CCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(CN(C)C)cc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(CO)cc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(COC)cc(-c2ncn(C)n2)c1OC
CCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncn(CCO)n2)c1OC
CCC(=O)c1cnc(NC2=NN(CC2)C(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC |t:9|
Cc1cnc(Nc2ccc(cc2)N2CCS(=O)(=O)CC2)nc1Nc1ccc2cn[nH]c2c1
COc1cc(ccc1Nc1ncc(C)c(Nc2ccc3cn[nH]c3c2)n1)N1CCN(C)CC1
CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4cn[nH]c4c3)n2)cc1
Cc1cnc(Nc2ccc(cc2)N2CCC(F)(F)CC2)nc1Nc1ccc2cn[nH]c2c1
CCN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4cn[nH]c4c3)n2)cc1
Cc1cnc(Nc2ccc(cc2)C(=O)NCCN2CCOCC2)nc1Nc1ccc2cn[nH]c2c1
CCN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4cn[nH]c4c3)n2)cc1OC
COc1cc(Nc2ncc(C)c(Nc3ccc4cn[nH]c4c3)n2)ccc1N1CCN(C)CC1
CCN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4cn[nH]c4c3)n2)c(OC)c1
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC3(COC3)C#N)n2)n[nH]1 |TLB:23:22:18.19:15.16.21|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3COC(=O)O3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C3CCOC3=O)n2)n[nH]1 |THB:24:23:18.19.20:15.16.22|
Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@@H]4CCC[C@H](C3)N4C3CCOC3=O)n2)n[nH]1 |THB:24:23:18.19.20:15.16.22|
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3cnccc3C#N)n2)n[nH]1 |THB:24:23:18.19.20:15.16.22|
CC(CC#N)CC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |TLB:6:8:10.11.12:14.15.16|
CCC(C)COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |TLB:6:8:10.11.12:14.15.16|
COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CCC#N)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:9.8.14:12.11|
COc1ccc2c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)CCC#N)nc(Nc3cc(C)[nH]n3)cc2n1 |THB:17:16:11.12.13:8.9.15|
COCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCOCC3)ccc12 |TLB:4:7:9.10:13.14.12|
Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cccnc3)n2)n[nH]1 |TLB:30:29:25.26:22.23.28|
CN1CCN(Cc2ccc3c(N[C@H]4C[C@@H]5CC[C@H](C4)N5S(=O)(=O)C4CCC4)nc(Nc4cc(C)[nH]n4)cc3n2)CC1 |TLB:20:19:15.16:12.13.18|
COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C(O)(CF)SC)c2c1 |THB:27:26:21.22.23:18.19.25|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC(C)C)c2c1 |r,TLB:28:27:21.20.26:24.23|
CNOC(=O)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(cc12)C(=O)OC |r,TLB:5:6:13.12.11:9.8|
COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C3CCCOC3=O)c2c1 |THB:29:28:23.24.25:20.21.27|
CCC(C)C(=S)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(cc12)S(C)(=O)=O |r,TLB:4:6:13.12.11:9.8|
COC(=S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)c(F)c2ncccc12 |THB:4:6:8.9:11.12.13|
COC(=S)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)c(F)c2ncccc12 |r,TLB:4:6:10.9.8:13.12.14|
[H][C@]12OC[C@H](Oc3nc(Nc4ccc(N5CCC(CC5)N5CCN(C)CC5)c(Cl)c4)ncc3Cl)[C@@]1([H])OC[C@H]2O |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N5CCC(CC5)N5CCN(C)CC5)c(Cl)c4)ncc3Cl)[C@@]1([H])OC[C@H]2O |r|
O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc(Nc2ccc(cc2)C2(CCCC2)C#N)ncc1Cl |r|
CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)n2)cc1 |r|
COc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)n2)ccc1N1CCC(CC1)N1CCN(C)CC1 |r|
CN1CCN(CC1)C1CCN(CC1)c1c(Cl)cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)n2)cc1Cl |r|
CCN1CCN(Cc2ccc(Nc3ncc(Cl)c(O[C@@H]4CO[C@@H]5[C@H](O)CO[C@H]45)n3)nc2)CC1 |r|
COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(O[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)n1 |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N5CCC(CC5)N5CCN(C)CC5)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2O |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4cccc(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2O |r|
O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc(Nc2ccc(F)c(NC(=O)C=C)c2)ncc1Cl |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N5CCOCC5)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2O |r|
CN(CCO)c1ccc(Nc2ncc(Cl)c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)n2)cc1NC(=O)C=C |r|
C\C=C\C(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)n2)ccc1N1CCC(CC1)N1CCN(C)CC1 |r|
CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)n2)cc1NC(=O)C(C)=C |r|
CN(C)C\C=C\C(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)n2)ccc1N1CCC(CC1)N1CCN(C)CC1 |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N(C)CCN(C)C)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2O |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N5CCC6(CCN(C)CC6)CC5)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2O |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N5CCC(CC5)N(C)C)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2O |r|
CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc(Cl)cn2)cc1NC(=O)C=C
CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc(C)c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)n2)cc1NC(=O)C=C |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N5CCN(CC)CC5)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2O |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N5CCC(C5)N(C)C)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2O |r|
[H][C@]12CN(c3ccc(Nc4ncc(Cl)c(O[C@@H]5CO[C@]6([H])[C@H](O)CO[C@]56[H])n4)cc3NC(=O)C=C)[C@]([H])(CO1)C2 |r|
[H][C@@]12CN(c3ccc(Nc4ncc(Cl)c(O[C@@H]5CO[C@]6([H])[C@H](O)CO[C@]56[H])n4)cc3NC(=O)C=C)[C@@]([H])(CN1C)C2 |r|
CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(NC(=O)C=C)c2)ncc1Cl |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N(C)CCN(C)C)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2OC |r|
CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc(Nc2ccc(N3CCOCC3)c(NC(=O)C=C)c2)ncc1Cl |r|
CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc(Nc2ccc(N3CCN(C)[C@@H](C)C3)c(NC(=O)C=C)c2)ncc1Cl |r|
CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(O[C@@H]3CO[C@@H]4[C@@H](F)CO[C@H]34)n2)cc1NC(=O)C=C |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N(C)CCN(C)C)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@@H]2F |r|
CCN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(O[C@@H]3CO[C@@H]4[C@@H](F)CO[C@H]34)n2)cc1NC(=O)C=C |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N(C)CCN(C)C)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2F |r|
CCN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(O[C@@H]3CO[C@@H]4[C@H](F)CO[C@H]34)n2)cc1NC(=O)C=C |r|
[H][C@]12OCC(F)(F)[C@@]1([H])OC[C@H]2Oc1nc(Nc2ccc(N(C)CCN(C)C)c(NC(=O)C=C)c2)ncc1Cl |r|
CN(C)CCN(C)c1ccc(Nc2ncc(Cl)c(O[C@@H]3CO[C@@H]4CCO[C@H]34)n2)cc1NC(=O)C=C |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N(C)CCN(C)C)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2OCC |r|
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N(C)CCN(C)C)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2OC(C)C |r|
CO[C@]1(CCOC1)c1cccc(n1)-c1cn(C)c2cnc(NC(N)=O)cc12 |r|
CO[C@]1(CCOC1)c1cccc(n1)-c1cn([C@@H]2CC2(F)F)c2cnc(NC(N)=O)cc12 |r|
CO[C@]1(CCOC1)c1cccc(n1)-c1cn([C@H]2CC2(F)F)c2cnc(NC(N)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(C)cc(n1)-c1cn(C)c2cnc(NC(N)=O)cc12 |r|
CO[C@@]1(CCOC1)c1cc(C)cc(n1)-c1cn(C)c2cnc(NC(N)=O)cc12 |r|
COC1(COC1)c1cccc(n1)-c1cn(C)c2cnc(NC(N)=O)cc12
Cn1cc(-c2cncc(n2)[C@]2(C)CCOC2)c2cc(NC(N)=O)ncc12 |r|
Cn1cc(-c2cncc(n2)[C@@]2(C)CCOC2)c2cc(NC(N)=O)ncc12 |r|
COCc1cc(nc(c1)[C@@]1(CCOC1)OC)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(C)cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CC[C@]1(CCOC1)c1cccc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12)C(F)F |r|
CC[C@@]1(CCOC1)c1cc(cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12)C#N |r|
CO[C@]1(CCOC1)c1cc(cc(n1)-c1cn([C@@H]2CC2(F)F)c2cnc(NC(C)=O)cc12)C#N |r|
COCc1cc(nc(c1)[C@@]1(CCOC1)OC)-c1cn(C)c2cnc(NC(N)=O)cc12 |r|
CC[C@]1(CCOC1)c1cccc(n1)-c1cn(C)c2cnc(NC(N)=O)cc12 |r|
COCc1cc(nc(c1)[C@@]1(CCOC1)OC)-c1cn(C2COC2)c2cnc(NC(C)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(cc(n1)-c1cn(C2COC2)c2cnc(NC(C)=O)cc12)C(F)F |r|
COc1cc(nc(c1)[C@@]1(CCOC1)OC)-c1cn(C2COC2)c2cnc(NC(C)=O)cc12 |r|
COc1cc(nc(c1)[C@@]1(CCOC1)OC)-c1cn([C@@H]2CCOC2)c2cnc(NC(C)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(OCC2COC2)cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CO[C@@]1(CCOC1)c1cc(OCC2COC2)cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(OCC[C@@H](C)O)cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(OC2COC2)cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(OCC[C@H](C)O)cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(OCCO)cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(O[C@H]2C[C@H](O)C2)cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r,wU:13.14,wD:11.11,2.1,(1.37,4.87,;.97,3.38,;-.51,2.98,;-.99,4.44,;-2.53,4.44,;-3.01,2.98,;-1.76,2.07,;.57,1.89,;2.06,2.29,;3.15,1.2,;4.64,1.6,;5.41,2.93,;6.9,3.33,;6.5,4.82,;7.27,6.15,;5.01,4.42,;2.75,-.29,;1.26,-.69,;.18,.4,;.87,-2.17,;1.77,-3.42,;.87,-4.66,;1.26,-6.15,;-.6,-4.19,;-1.93,-4.96,;-3.27,-4.19,;-3.27,-2.65,;-4.6,-1.88,;-5.93,-2.65,;-7.27,-1.88,;-5.93,-4.19,;-1.93,-1.88,;-.6,-2.65,)|
CO[C@]1(CCOC1)c1cncc(n1)-c1cn(C)c2cnc(NC(N)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(cc(n1)-c1cn(C)c2cnc(NC(N)=O)cc12)C#N |r|
CO[C@]1(CCOC1)c1cc(cc(n1)-c1cn(C)c2cnc(NC(N)=O)cc12)C(F)F |r|
COc1cc(nc(c1)[C@@]1(CCOC1)OC)-c1cn(C)c2cnc(NC(N)=O)cc12 |r|
COc1cc(nc(c1)[C@]1(CCOC1)OC)-c1cn(C)c2cnc(NC(N)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(cc(n1)-c1cn([C@@H]2CC2(F)F)c2cnc(NC(N)=O)cc12)C#N |r|
CO[C@]1(CCOC1)c1cc(cc(n1)-c1cn([C@@H]2CCOC2)c2cnc(NC(N)=O)cc12)C(F)F |r|
CO[C@]1(CCOC1)c1cc(cc(n1)-c1cn([C@H]2CCOC2)c2cnc(NC(N)=O)cc12)C(F)F |r|
CO[C@]1(CCOC1)c1cc(cc(n1)-c1cn(C2COC2)c2cnc(NC(N)=O)cc12)C(F)F |r|
Cn1cc(-c2cccc(n2)C2(O)COC2)c2cc(NC(N)=O)ncc12
CO[C@]1(CCOC1)c1cc(O[C@@H](C)CCO)cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(OC[C@H](C)O)cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(OC[C@@H](C)O)cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
NC(=O)Nc1cc2c(cn([C@@H]3CCOC3)c2cn1)-c1cccc(n1)C1(O)COC1 |r|
CO[C@]1(CCOC1)c1cccc(n1)-c1cn([C@H]2C[C@@H](C2)C#N)c2cnc(NC(C)=O)cc12 |r,wU:16.17,wD:2.1,18.22,(3.43,8.05,;3.03,6.56,;1.54,6.16,;.3,7.07,;-.95,6.16,;-.47,4.7,;1.07,4.7,;2.63,5.07,;4.12,5.47,;5.21,4.38,;4.81,2.9,;3.32,2.5,;2.23,3.59,;2.92,1.01,;3.83,-.24,;2.92,-1.48,;3.32,-2.97,;4.66,-3.74,;3.89,-5.07,;2.55,-4.3,;4.28,-6.56,;4.68,-8.05,;1.46,-1.01,;.13,-1.78,;-1.21,-1.01,;-1.21,.53,;-2.54,1.3,;-3.88,.53,;-5.21,1.3,;-3.88,-1.01,;.13,1.3,;1.46,.53,)|
CO[C@]1(CCOC1)c1cc(cc(n1)-c1cn([C@H]2C[C@@H](C2)C#N)c2cnc(NC(C)=O)cc12)C(F)F |r,wU:18.22,wD:2.1,16.17,(2.14,7.81,;1.74,6.32,;.26,5.92,;.73,7.39,;-.51,8.29,;-1.76,7.39,;-1.28,5.92,;1.34,4.83,;2.83,5.23,;3.92,4.14,;3.52,2.65,;2.03,2.26,;.95,3.34,;1.64,.77,;2.54,-.48,;1.64,-1.72,;2.03,-3.21,;1.26,-4.55,;2.6,-5.32,;3.37,-3.98,;3,-6.8,;3.4,-8.29,;.17,-1.25,;-1.16,-2.02,;-2.5,-1.25,;-2.5,.29,;-3.83,1.06,;-5.16,.29,;-6.5,1.06,;-5.16,-1.25,;-1.16,1.06,;.17,.29,;5.41,4.54,;6.5,3.45,;5.81,6.03,)|
CO[C@]1(CCOC1)c1cc(C)cc(n1)-c1cn([C@H]2C[C@@H](C2)C#N)c2cnc(NC(C)=O)cc12 |r,wU:19.23,wD:2.1,17.18,(2.69,7.81,;2.29,6.32,;.8,5.92,;1.28,7.39,;.03,8.29,;-1.22,7.39,;-.74,5.92,;1.89,4.83,;3.38,5.23,;4.47,4.14,;5.95,4.54,;4.07,2.65,;2.58,2.26,;1.49,3.34,;2.18,.77,;3.09,-.48,;2.18,-1.72,;2.58,-3.21,;1.81,-4.55,;3.14,-5.32,;3.91,-3.98,;3.54,-6.8,;3.94,-8.29,;.72,-1.25,;-.62,-2.02,;-1.95,-1.25,;-1.95,.29,;-3.29,1.06,;-4.62,.29,;-5.95,1.06,;-4.62,-1.25,;-.62,1.06,;.72,.29,)|
CO[C@]1(CCOC1)c1cc(C)cc(n1)-c1cn([C@@H]2C[C@@H](C2)C#N)c2cnc(NC(C)=O)cc12 |r,wU:17.18,19.23,wD:2.1,(2.69,7.81,;2.29,6.32,;.8,5.92,;1.28,7.39,;.03,8.29,;-1.22,7.39,;-.74,5.92,;1.89,4.83,;3.38,5.23,;4.47,4.14,;5.95,4.54,;4.07,2.65,;2.58,2.26,;1.49,3.34,;2.18,.77,;3.09,-.48,;2.18,-1.72,;2.58,-3.21,;1.81,-4.55,;3.14,-5.32,;3.91,-3.98,;3.54,-6.8,;3.94,-8.29,;.72,-1.25,;-.62,-2.02,;-1.95,-1.25,;-1.95,.29,;-3.29,1.06,;-4.62,.29,;-5.95,1.06,;-4.62,-1.25,;-.62,1.06,;.72,.29,)|
COc1cc(nc(c1)[C@@]1(CCOC1)OC)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CC(=O)Nc1cc2c(cn(C)c2cn1)-c1cccc(n1)[C@]1(CO)CCOC1 |r|
COCc1cc(nc(c1)[C@]1(CO)CCOC1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(OC(F)F)cc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
COCc1cc(nc(c1)[C@@]1(CCOC1)C(C)O)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CC(=O)Nc1cc2c(cn(C)c2cn1)-c1cc(cc(n1)[C@]1(CO)CCOC1)C(F)F |r|
COc1cc(nc(c1)[C@]1(CO)CCOC1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
COCCOc1cc(nc(c1)[C@]1(CO)CCOC1)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CO[C@H](C)COc1cc(nc(c1)[C@@]1(CCOC1)OC)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
COCc1cc(nc(c1)[C@@]1(CCOC1)OC)-c1cn(C)c2cnc(NC(=O)CO)cc12 |r|
COCCOc1cc(nc(c1)[C@@]1(CCOC1)OC)-c1cn(C)c2cnc(NC(C)=O)cc12 |r|
CO[C@]1(CCOC1)c1cc(cc(n1)-c1cn(C)c2cnc(NC(=O)CO)cc12)C(F)F |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)cccc12 |r|
CCS(=O)(=O)N1CCCC1C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)C3CCCN3S(C)(=O)=O)cccc12
COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)C3CCCN3S(C)(=O)=O)cccc12
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@H]3CCCN3C3CCNCC3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)C3C[C@H](F)CN3C3CCNCC3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)C3C[C@@H](F)CN3C3CCNCC3)cccc12 |r|
CO[C@@H]1CC(N(C1)C1CCNCC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r|
CO[C@H]1CC(N(C1)C1CCNCC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)C3CCCN3C3CCN(C)CC3)cccc12
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)C3CCCN3C3CCN(C)CC3)cccc12
CCO[C@H]1CC(N(C1)C1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
CO[C@H]1CC(N(C1)C1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)C3C[C@@H](CN3C3CCN(C)CC3)C(F)(F)F)cccc12 |r|
COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)C3CCCN3C3CCN(C)CC3)cccc12
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)C3CC(F)(F)CN3C3CCN(C)CC3)cccc12
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)C3CC(F)(F)CN3C3CCN(C)CC3)cccc12
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@H]3C[C@H](F)CN3[C@@H]3CCNC3)cccc12
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@H]3C[C@H](F)CN3[C@H]3CCNC3)cccc12
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@H]3C[C@H](F)CN3[C@@H]3CCN(C)C3)cccc12
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@H]3C[C@H](F)CN3[C@H]3CCN(C)C3)cccc12
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)C3CCCN3C3CCNC3)cccc12
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)C3CCCN3C3CCN(C)C3)cccc12
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)C3CC(F)(F)CN3C3CCN(C)C3)cccc12
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)C3CC(F)(F)CN3[C@H]3CCN(C)C3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)C3CCCN3C3CCN(C)C3)cccc12
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)C3C[C@H](F)CN3C3CCN(C)C3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)C3CC(F)(F)CN3C3CCN(C)C3)cccc12
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)C3CC(F)(F)CN3C3CCOC3)cccc12
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)C3CC(F)(F)CN3C3CCN(C)C3)cccc12
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)C3CC(F)(F)CN3[C@H]3CCN(C)C3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)C3C[C@H](F)CN3C3CCN(C)C3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)C3C[C@H](F)CN3[C@H]3CCN(C)C3)cccc12 |r|
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@H]3C[C@H](F)CN3C3CCN(C)CC3)cccc12
CCCS(=O)(=O)NC1CC(C1)N(C)c1ncnc2[nH]ccc12 |(-3.77,4.94,;-2.43,5.71,;-1.1,4.94,;.23,5.71,;1,4.38,;-.54,7.04,;1.57,6.48,;2.9,5.71,;4.39,6.11,;4.79,4.62,;3.3,4.22,;6.12,3.85,;7.45,4.62,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,)|
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
CN([C@@H]1CCc2cc(nn2C1)C#N)c1ncnc2[nH]ccc12 |r|
CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4ccnnc4cc3C)ncc2n(C)c1=O
CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4nccnc4cc3C)ncc2n(C)c1=O
CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4cncnc4cc3C)ncc2n(C)c1=O
CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4ncc(C)nc4cc3C)ncc2n(C)c1=O
CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4nc(C)cnc4cc3C)ncc2n(C)c1=O
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:24.26,wD:21.22,(3.34,-5.73,;3.34,-4.19,;4.68,-3.42,;4.68,-1.88,;6.01,-1.11,;6.01,.43,;4.68,1.2,;3.34,.43,;3.34,-1.11,;2.01,-1.88,;2.01,-3.42,;.68,-4.19,;-.66,-3.42,;-1.99,-4.19,;-3.33,-3.42,;-3.33,-1.88,;-4.47,-.85,;-6.01,-.85,;-3.84,.56,;-4.61,1.89,;-2.31,.4,;-1.54,1.73,;-0,1.73,;.77,3.06,;-0,4.4,;.77,5.73,;-1.54,4.4,;-2.31,3.06,;-1.99,-1.11,;-.66,-1.88,)|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:24.26,wD:21.22,(3.34,-5.73,;3.34,-4.19,;4.68,-3.42,;4.68,-1.88,;6.01,-1.11,;6.01,.43,;4.68,1.2,;3.34,.43,;3.34,-1.11,;2.01,-1.88,;2.01,-3.42,;.68,-4.19,;-.66,-3.42,;-1.99,-4.19,;-3.33,-3.42,;-3.33,-1.88,;-4.47,-.85,;-6.01,-.85,;-3.84,.56,;-4.61,1.89,;-2.31,.4,;-1.54,1.73,;-0,1.73,;.77,3.06,;-0,4.4,;.77,5.73,;-1.54,4.4,;-2.31,3.06,;-1.99,-1.11,;-.66,-1.88,)|
Cc1cc2nccc(C)c2cc1Nc1ncc2n(C)c(=O)n(C3CCC(O)CC3)c2n1 |(2.53,5.92,;3.86,6.69,;5.2,5.92,;6.53,6.69,;7.87,5.92,;9.2,6.69,;9.2,8.23,;7.87,9,;7.87,10.54,;6.53,8.23,;5.2,9,;3.86,8.23,;2.53,9,;1.2,8.23,;1.2,6.69,;-.14,5.92,;-1.47,6.69,;-2.94,6.22,;-3.41,4.75,;-3.84,7.46,;-5.38,7.46,;-2.94,8.71,;-3.41,10.17,;-4.92,10.49,;-5.39,11.96,;-4.36,13.1,;-4.84,14.57,;-2.86,12.78,;-2.38,11.32,;-1.47,8.23,;-.14,9,)|
COc1ccnc2cc(C)c(Nc3ncc4n(C)c(=O)n([C@H]5CC[C@H](O)CC5)c4n3)cc12 |r,wU:24.24,wD:21.20,(2.01,2.74,;2.01,1.2,;3.34,.43,;4.68,1.2,;6.01,.43,;6.01,-1.11,;4.68,-1.88,;4.68,-3.42,;3.34,-4.19,;3.34,-5.73,;2.01,-3.42,;.68,-4.19,;-.66,-3.42,;-1.99,-4.19,;-3.33,-3.42,;-3.33,-1.88,;-4.47,-.85,;-6.01,-.85,;-3.84,.56,;-4.61,1.89,;-2.31,.4,;-1.54,1.73,;-0,1.73,;.77,3.06,;-0,4.4,;.77,5.73,;-1.54,4.4,;-2.31,3.06,;-1.99,-1.11,;-.66,-1.88,;2.01,-1.88,;3.34,-1.11,)|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(C3CCC(O)CC3)c2n1 |(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-4.91,2.32,;-5.39,3.78,;-6.89,4.1,;-7.37,5.56,;-7.92,2.96,;-7.45,1.49,;-4,-.77,;-2.67,,)|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCC(O)CC3)c2n1 |(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-4.91,2.32,;-5.39,3.78,;-6.89,4.1,;-7.37,5.56,;-7.92,2.96,;-7.45,1.49,;-4,-.77,;-2.67,,)|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:21.22,24.26,(3.34,-5.24,;3.34,-3.7,;4.68,-2.93,;4.68,-1.39,;6.01,-.62,;6.01,.92,;4.68,1.69,;3.34,.92,;3.34,-.62,;2.01,-1.39,;2.01,-2.93,;.68,-3.7,;-.66,-2.93,;-1.99,-3.7,;-3.33,-2.93,;-3.33,-1.39,;-4.47,-.36,;-6.01,-.36,;-3.84,1.05,;-4.61,2.38,;-2.31,.89,;-1.22,1.97,;.26,1.58,;1.35,2.66,;.95,4.15,;2.04,5.24,;-.53,4.55,;-1.62,3.46,;-1.99,-.62,;-.66,-1.39,)|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:24.26,wD:21.22,24.27,(3.32,3.93,;3.32,5.47,;4.65,6.24,;4.65,7.78,;5.98,8.55,;5.98,10.09,;4.65,10.86,;3.32,10.09,;3.32,8.55,;1.98,7.78,;1.98,6.24,;.65,5.47,;-.68,6.24,;-2.02,5.47,;-3.35,6.24,;-3.35,7.78,;-4.5,8.81,;-5.98,8.41,;-3.87,10.22,;-4.64,11.55,;-2.34,10.06,;-1.25,11.14,;.24,10.75,;1.33,11.83,;.93,13.32,;.93,14.86,;2.47,13.32,;-.56,13.72,;-1.65,12.63,;-2.02,8.55,;-.68,7.78,)|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@](C)(O)CC3)c2n1 |r,wU:24.27,wD:21.22,24.26,(3.32,3.93,;3.32,5.47,;4.65,6.24,;4.65,7.78,;5.98,8.55,;5.98,10.09,;4.65,10.86,;3.32,10.09,;3.32,8.55,;1.98,7.78,;1.98,6.24,;.65,5.47,;-.68,6.24,;-2.02,5.47,;-3.35,6.24,;-3.35,7.78,;-4.5,8.81,;-5.98,8.41,;-3.87,10.22,;-4.64,11.55,;-2.34,10.06,;-1.25,11.14,;.24,10.75,;1.33,11.83,;.93,13.32,;.93,14.86,;2.47,13.32,;-.56,13.72,;-1.65,12.63,;-2.02,8.55,;-.68,7.78,)|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:24.26,wD:21.22,24.27,(3.32,3.93,;3.32,5.47,;4.65,6.24,;4.65,7.78,;5.98,8.55,;5.98,10.09,;4.65,10.86,;3.32,10.09,;3.32,8.55,;1.98,7.78,;1.98,6.24,;.65,5.47,;-.68,6.24,;-2.02,5.47,;-3.35,6.24,;-3.35,7.78,;-4.5,8.81,;-5.98,8.41,;-3.87,10.22,;-4.64,11.55,;-2.34,10.06,;-1.25,11.14,;.24,10.75,;1.33,11.83,;.93,13.32,;.93,14.86,;2.47,13.32,;-.56,13.72,;-1.65,12.63,;-2.02,8.55,;-.68,7.78,)|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@](C)(O)CC3)c2n1 |r,wU:24.27,wD:21.22,24.26,(3.32,3.93,;3.32,5.47,;4.65,6.24,;4.65,7.78,;5.98,8.55,;5.98,10.09,;4.65,10.86,;3.32,10.09,;3.32,8.55,;1.98,7.78,;1.98,6.24,;.65,5.47,;-.68,6.24,;-2.02,5.47,;-3.35,6.24,;-3.35,7.78,;-4.5,8.81,;-5.98,8.41,;-3.87,10.22,;-4.64,11.55,;-2.34,10.06,;-1.25,11.14,;.24,10.75,;1.33,11.83,;.93,13.32,;.93,14.86,;2.47,13.32,;-.56,13.72,;-1.65,12.63,;-2.02,8.55,;-.68,7.78,)|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(O)CC3)c2n1 |r,wU:24.26,wD:24.27,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-4.91,2.32,;-5.39,3.78,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-7.92,2.96,;-7.45,1.49,;-4,-.77,;-2.67,,)|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(O)CC3)c2n1 |r,wU:24.27,wD:24.26,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-7.45,1.49,;-7.92,2.96,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-5.39,3.78,;-4.91,2.32,;-4,-.77,;-2.67,,)|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(c2n1)[C@]1(C)CC[C@H](O)CC1 |r,wU:27.31,wD:23.27,(3.32,-5.24,;3.32,-3.7,;4.65,-2.93,;4.65,-1.39,;5.98,-.62,;5.98,.92,;4.65,1.69,;3.32,.92,;3.32,-.62,;1.98,-1.39,;1.98,-2.93,;.65,-3.7,;-.68,-2.93,;-2.02,-3.7,;-3.35,-2.93,;-3.35,-1.39,;-4.5,-.36,;-5.98,-.76,;-3.87,1.05,;-4.64,2.38,;-2.34,.89,;-2.02,-.62,;-.68,-1.39,;-1.25,1.97,;-2.74,2.37,;.24,1.58,;1.33,2.66,;.93,4.15,;2.02,5.24,;-.56,4.55,;-1.65,3.46,)|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCOC3)c2n1 |r|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCOC3)c2n1 |r|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CCOC3)c2n1 |r|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CCOC3)c2n1 |r|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n(C3CCCOC3)c2n1
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(C3CCCOC3)c2n1
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCCOC3)c2n1 |r|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCCOC3)c2n1 |r|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1
Cc1cc2ncncc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1
Cc1cnc2cc(C)c(Nc3ncc4n(C)c(=O)n(C5CCOCC5)c4n3)cc2n1
Cc1cnc2cc(Nc3ncc4n(C)c(=O)n(C5CCOCC5)c4n3)c(C)cc2n1
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCS(=O)(=O)CC3)c2n1
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3COC3)c2n1
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCNCC3)c2n1
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CCNC[C@@H]3F)c2n1 |r|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(N)CC3)c2n1 |r,wU:24.27,wD:24.26,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-7.45,1.49,;-7.92,2.96,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-5.39,3.78,;-4.91,2.32,;-4,-.77,;-2.67,,)|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(N)CC3)c2n1 |r,wU:24.26,wD:24.27,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-4.91,2.32,;-5.39,3.78,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-7.92,2.96,;-7.45,1.49,;-4,-.77,;-2.67,,)|
CN1CC[C@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
CN1CC[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
CN1CCC(CC1)n1c2nc(Nc3cc4ccnnc4cc3C)ncc2n(C)c1=O
CN1CCC(CC1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
CN1CCC(CC1)n1c2nc(Nc3cc4nccnc4cc3C)ncc2n(C)c1=O
CN1CC[C@H]([C@@H](F)C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCN(CC3)C3COC3)c2n1
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCN(CCO)CC3)c2n1
COCCN1CCC(CC1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
CCN1CCC(CC1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
Cc1cc2c(cccn2)cc1Nc3ncc4c(n3)N(C(=O)N4C)[C@@H]5CNC[C@H]5F
FC1(F)CC1C(=O)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12
O=C(CC#N)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12
CC(C)(C#N)C(=O)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12
FC1(F)C[C@H]1C(=O)N1CCC2(CC1)CCC(=CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r,c:17|
O=C(CC#N)N1CCC2(CCC(CC2)c2cccc3nc(NC(=O)C4CC4)nn23)CC1
FC(F)(F)CC(=O)N1CCC2(CCC(CC2)c2cccc3nc(NC(=O)C4CC4)nn23)CC1
FC1(F)C[C@H]1C(=O)N1CC[C@@]2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wU:10.10,wD:4.5,(4.45,19.53,;4.05,18.04,;5.38,18.81,;2.64,17.41,;3.89,16.51,;4.52,15.1,;6.05,14.94,;3.61,13.85,;2.07,13.85,;1.59,12.39,;2.84,11.48,;4.09,12.39,;4.17,10.71,;4.17,9.17,;2.84,8.4,;1.51,9.17,;1.51,10.71,;2.84,6.86,;4.17,6.09,;4.17,4.55,;2.84,3.78,;1.51,4.55,;.04,4.08,;-.86,5.32,;-2.4,5.32,;-3.17,3.99,;-2.4,2.66,;-4.71,3.99,;-6.05,4.76,;-6.05,3.22,;.04,6.57,;1.51,6.09,)|
FC1(F)C[C@H]1C(=O)N1CC[C@@]2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wD:10.10,4.5,(4.45,-2.66,;4.05,-4.14,;5.38,-3.37,;2.64,-4.77,;3.89,-5.68,;4.52,-7.08,;6.05,-7.24,;3.61,-8.33,;2.07,-8.33,;1.59,-9.79,;2.84,-10.7,;4.09,-9.79,;1.51,-11.47,;1.51,-13.01,;2.84,-13.78,;4.17,-13.01,;4.17,-11.47,;2.84,-15.32,;4.17,-16.09,;4.17,-17.63,;2.84,-18.4,;1.51,-17.63,;.04,-18.1,;-.86,-16.86,;-2.4,-16.86,;-3.17,-18.19,;-2.4,-19.53,;-4.71,-18.19,;-6.05,-17.42,;-6.05,-18.96,;.04,-15.61,;1.51,-16.09,)|
FC(F)(F)CC(=O)N1CC[C@@]2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wD:10.10,(6.78,-.71,;5.88,-1.96,;7.12,-2.86,;4.63,-1.05,;4.97,-3.2,;3.44,-3.04,;2.81,-1.64,;2.53,-4.29,;.99,-4.29,;.52,-5.75,;1.76,-6.66,;3.01,-5.75,;3.1,-7.43,;3.1,-8.97,;1.76,-9.74,;.43,-8.97,;.43,-7.43,;1.76,-11.28,;3.1,-12.05,;3.1,-13.59,;1.76,-14.36,;.43,-13.59,;-1.03,-14.07,;-1.94,-12.82,;-3.48,-12.82,;-4.25,-14.15,;-3.48,-15.49,;-5.79,-14.15,;-7.12,-13.38,;-7.12,-14.92,;-1.03,-11.57,;.43,-12.05,)|
FC1(F)C[C@@H]1C(=O)Nc1nc2cccc(C3CCC4(CN(C4)C(=O)[C@@H]4CC4(F)F)CC3)n2n1 |r|
FC1(F)C[C@H]1C(=O)Nc1nc2cccc(C3CCC4(CN(C4)C(=O)[C@@H]4CC4(F)F)CC3)n2n1 |r|
FC1(F)CC1C(=O)Nc1nc2cccc(C3CCC4(CN(C4)C(=O)CC#N)CC3)n2n1
Fc1ccc2nc(NC(=O)C3CC3)nn2c1C1CCC2(CC1)CCN(CC2)C(=O)CC#N
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNCC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCNCC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCNC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCNC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCNC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CC2COCC(C1)N2 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CO)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](COC)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C1CC(O)C1 |t:28,(-3.86,2.52,;-5.19,3.29,;-6.53,2.52,;-7.86,3.29,;-9.2,2.52,;-10.53,3.29,;-9.2,.98,;-7.86,.21,;-6.53,.98,;-5.19,.21,;-3.86,.98,;-2.53,.21,;-2.53,-1.33,;-1.38,-2.36,;-2.01,-3.77,;-3.54,-3.61,;-3.86,-2.1,;-5.19,-1.33,;-6.53,-2.1,;-.05,-1.59,;.43,-.13,;1.97,-.13,;2.44,-1.59,;1.2,-2.5,;2.88,1.12,;2.25,2.52,;3.16,3.77,;4.69,3.6,;5.31,2.2,;4.41,.95,;6.85,2.03,;7.78,.81,;9,1.74,;10.53,1.54,;8.07,2.97,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(Cc2cn[nH]c2)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC(=O)NC)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C(C)CO |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCCO)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)C1CN(C)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C(=O)[C@@H]1CCCN1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C[C@@H]2COCCN2)CC1 |r,t:27|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNC1 |t:29|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)C(C)C |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C(C)C |t:28|
CCN1CCC(=CC1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |c:5|
CCCN1CCC(=CC1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |c:6|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC(C)C)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(C)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(C1)C(C)C |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C(C)C |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(C)C |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCO)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCO)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCC(C)(C)O)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCO)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCC(C)(C)O)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C[C@H](C)CO)CC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C[C@@H](C)CO)CC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CC(O)C1 |t:28,(-3.04,1.13,;-4.38,1.9,;-5.71,1.13,;-7.04,1.9,;-8.38,1.13,;-9.71,1.9,;-8.38,-.41,;-7.04,-1.18,;-5.71,-.41,;-4.38,-1.18,;-3.04,-.41,;-1.71,-1.18,;-1.71,-2.72,;-.56,-3.75,;-1.19,-5.16,;-2.72,-5,;-3.04,-3.49,;-4.38,-2.72,;-5.71,-3.49,;.94,-3.43,;1.57,-2.02,;3.1,-2.18,;3.42,-3.69,;2.09,-4.46,;4.13,-1.04,;5.64,-1.36,;6.67,-.22,;6.19,1.25,;4.69,1.57,;3.66,.43,;7.22,2.39,;8.76,2.47,;8.68,4.01,;9.71,5.16,;7.14,3.93,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCO)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCCO)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(C1)C1CC(O)C1 |t:27,(-1.48,1.36,;-2.62,2.39,;-4.09,1.92,;-5.23,2.95,;-6.69,2.47,;-7.84,3.51,;-7.02,.97,;-5.87,-.06,;-4.41,.41,;-3.26,-.62,;-1.8,-.15,;-.66,-1.18,;-.98,-2.68,;-.07,-3.93,;-.98,-5.18,;-2.44,-4.7,;-2.44,-3.16,;-3.59,-2.13,;1.47,-3.93,;2.37,-2.69,;3.84,-3.16,;3.84,-4.7,;2.37,-5.18,;5.17,-2.39,;6.5,-3.16,;7.84,-2.39,;7.84,-.85,;6.5,-.08,;5.17,-.85,;6.5,1.46,;7.59,2.55,;6.5,3.64,;6.5,5.18,;5.42,2.55,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(CCO)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(CCCO)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C(C)CO |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C(C)CC(C)(C)O |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C[C@H](C)CO)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C[C@@H](C)CO)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCO)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCC(C)(C)O)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)C1CC(O)C1 |t:27,(-1.44,.48,;-2.77,1.25,;-4.11,.48,;-5.44,1.25,;-6.77,.48,;-8.11,1.25,;-6.77,-1.06,;-5.44,-1.83,;-4.11,-1.06,;-2.77,-1.83,;-1.44,-1.06,;-.1,-1.83,;-.1,-3.37,;1.04,-4.4,;.41,-5.81,;-1.12,-5.65,;-1.44,-4.14,;-2.77,-3.37,;2.55,-4.08,;3.17,-2.68,;4.7,-2.84,;5.02,-4.34,;3.69,-5.11,;5.73,-1.69,;7.27,-1.86,;7.89,-.45,;6.75,.58,;5.41,-.19,;6.91,2.11,;8.11,3.08,;7.14,4.28,;7.3,5.81,;5.94,3.31,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCO)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCCO)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCC(C)(C)O)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCOC)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)C1COC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C(C)C1CC(O)C1 |t:28,(-2.55,.01,;-3.88,.78,;-5.22,.01,;-6.55,.78,;-7.89,.01,;-9.22,.78,;-7.89,-1.53,;-6.55,-2.3,;-5.22,-1.53,;-3.88,-2.3,;-2.55,-1.53,;-1.22,-2.3,;-1.22,-3.84,;-.07,-4.87,;-.7,-6.28,;-2.23,-6.11,;-2.55,-4.61,;-3.88,-3.84,;-5.22,-4.61,;1.43,-4.55,;2.06,-3.14,;3.59,-3.3,;3.91,-4.81,;2.58,-5.58,;4.62,-2.16,;6.13,-2.48,;7.16,-1.33,;6.68,.13,;5.18,.45,;4.15,-.69,;7.71,1.28,;9.22,.95,;7.24,2.74,;7.94,4.11,;6.56,4.81,;6.09,6.28,;5.87,3.44,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCCOC)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC2COC2)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCOCC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC2CCCO2)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC2CCCOC2)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1COC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCCOC)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C(C)C1CC(O)C1 |t:28,(-3.14,2.99,;-4.47,3.76,;-5.81,2.99,;-7.14,3.76,;-8.47,2.99,;-9.81,3.76,;-8.47,1.45,;-7.14,.68,;-5.81,1.45,;-4.47,.68,;-3.14,1.45,;-1.81,.68,;-1.81,-.86,;-.66,-1.89,;-1.29,-3.3,;-2.82,-3.14,;-3.14,-1.63,;-4.47,-.86,;-5.81,-1.63,;.84,-1.57,;1.47,-.17,;3,-.33,;3.32,-1.83,;1.99,-2.6,;4.03,.82,;3.56,2.28,;4.59,3.43,;6.09,3.11,;6.57,1.64,;5.54,.5,;8.08,1.32,;9.14,2.44,;8.47,-.17,;7.7,-1.5,;9.04,-2.27,;9.44,-3.76,;9.81,-.94,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(CCCOC)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(CC2COC2)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C1CCOCC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C1COC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC2COC2)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)C1CCOCC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)C1COC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC2COC2)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C1COC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCSC)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCS(C)(=O)=O)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC(=O)NC)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC(=O)NC(C)(C)C)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCS(=O)(=O)NC)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCSC)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCS(C)(=O)=O)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC(=O)NC(C)(C)C)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCNC1=O |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCS(=O)(=O)NC)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCSC)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCS(C)(=O)=O)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CC(=O)NC)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCS(=O)(=O)NC)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(CCSC)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(CCS(C)(=O)=O)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(CC(=O)NC)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC(=O)NC)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)C1CCNC1=O |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCC(=O)NC)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCS(=O)(=O)NC)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC(=O)NC)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C1CCNC1=O |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNS(C)(=O)=O)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNC(C)=O)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNS(=O)(=O)C(C)C)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNC(=O)C(C)C)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCNS(C)(=O)=O)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCNC(C)=O)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCNS(=O)(=O)C(C)C)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCNS(C)(=O)=O)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCNC(C)=O)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCNS(C)(=O)=O)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCNC(C)=O)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCNC(=O)C(C)C)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(CCNS(C)(=O)=O)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(CCNC(C)=O)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNS(C)(=O)=O)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNC(C)=O)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCNS(C)(=O)=O)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCNC(C)=O)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCNC(=O)C(C)C)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCN2CCNC2=O)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCN2CCCC2=O)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCN2CCNC2=O)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCC(O)CC1 |t:28,(-3.46,.91,;-4.79,1.68,;-6.13,.91,;-7.46,1.68,;-8.8,.91,;-10.13,1.68,;-8.8,-.63,;-7.46,-1.4,;-6.13,-.63,;-4.79,-1.4,;-3.46,-.63,;-2.13,-1.4,;-2.13,-2.94,;-.98,-3.97,;-1.61,-5.38,;-3.14,-5.22,;-3.46,-3.71,;-4.79,-2.94,;-6.13,-3.71,;.52,-3.65,;1.15,-2.25,;2.68,-2.41,;3,-3.91,;1.67,-4.68,;3.71,-1.26,;5.22,-1.58,;6.25,-.44,;5.77,1.03,;4.27,1.35,;3.24,.2,;6.86,2.11,;8.35,1.72,;9.44,2.8,;9.04,4.29,;10.13,5.38,;7.55,4.69,;6.46,3.6,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCCCC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC2CNC(=O)O2)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCN2CCNC2=O)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(CCN2CCNC2=O)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C1CCCCC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCN2CCNC2=O)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:31.36,t:27,(-1.66,.04,;-3,.81,;-4.33,.04,;-5.66,.81,;-7,.04,;-8.33,.81,;-7,-1.5,;-5.66,-2.27,;-4.33,-1.5,;-3,-2.27,;-1.66,-1.5,;-.33,-2.27,;-.33,-3.81,;.81,-4.84,;.19,-6.25,;-1.34,-6.09,;-1.66,-4.58,;-3,-3.81,;2.32,-4.52,;2.95,-3.12,;4.48,-3.28,;4.8,-4.78,;3.47,-5.55,;5.51,-2.13,;7.04,-2.29,;7.67,-.89,;6.52,.14,;5.19,-.63,;6.68,1.68,;5.47,2.63,;5.69,4.15,;7.12,4.72,;7.34,6.25,;8.33,3.77,;8.11,2.25,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)[C@@H]1CC[C@H](O)CC1 |r,wU:29.33,32.37,t:28,(-1.66,.04,;-3,.81,;-4.33,.04,;-5.66,.81,;-7,.04,;-8.33,.81,;-7,-1.5,;-5.66,-2.27,;-4.33,-1.5,;-3,-2.27,;-1.66,-1.5,;-.33,-2.27,;-.33,-3.81,;.81,-4.84,;.19,-6.25,;-1.34,-6.09,;-1.66,-4.58,;-3,-3.81,;-4.33,-4.58,;2.32,-4.52,;2.95,-3.12,;4.48,-3.28,;4.8,-4.78,;3.47,-5.55,;5.51,-2.13,;7.04,-2.29,;7.67,-.89,;6.52,.14,;5.19,-.63,;6.68,1.68,;8.11,2.25,;8.33,3.77,;7.12,4.72,;7.34,6.25,;5.69,4.15,;5.47,2.63,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(Cc2ccccc2)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(Cc2cnc[nH]2)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(Cc2cn[nH]c2)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(Cc2cnn[nH]2)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(Cc2ccccc2)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCc2ccccc2)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(Cc2cnc[nH]2)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(Cc2ccn[nH]2)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(Cc2ccccc2)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCc2ccccc2)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(Cc2ccccc2)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCc2ccccc2)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(Cc2cnc[nH]2)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(Cc2ccn[nH]2)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(Cc2c[nH]nn2)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(Cc2cn[nH]c2)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(Cc2c[nH]nn2)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)C(C)=O |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)S(C)(=O)=O |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)C(=O)OC |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)C(=O)NC |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)C(=O)c1ccccc1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)C(=O)CN |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)C(=O)[C@@H](N)C(C)(C)O |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C(C)=O |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)S(C)(=O)=O |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C(=O)OC |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C(=O)CN |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C(=O)[C@@H](N)C(C)(C)O |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(C1)C(C)=O |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(C1)S(C)(=O)=O |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(C1)C(=O)OC |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(C1)C(=O)NC |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(C1)C(=O)c1ccccc1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(C1)C(=O)CN |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(C1)C(=O)[C@@H](N)C(C)(C)O |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)C(C)=O |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)S(C)(=O)=O |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)C(=O)OC |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)C(=O)NC |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)C(=O)[C@@H](N)C(C)(C)O |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(C)=O |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)S(C)(=O)=O |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)CN |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)[C@@H](N)C(C)(C)O |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)S(=O)(=O)C1CNC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)C(=O)[C@@H](N)Cc1ccccc1 |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)C(=O)[C@@H]1CCCN1 |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)S(=O)(=O)C1CNC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C(=O)[C@@H](N)Cc1ccccc1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)S(=O)(=O)C1CNC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)[C@@H]1CCCN1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC1)C1CCN(C)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNC)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCN2CCOCC2)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCN(C)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CN(C)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCN)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCNC)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C[C@@H]2COCCN2)CC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C[C@H]2COCCN2)CC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCN2CCOCC2)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(C1)C1CCN(C)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(C[C@@H]2COCCN2)C1 |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C1CCN(C)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C1CN(C)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C[C@@H]2COCCN2)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C[C@H]2COCCN2)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(CCN2CCOCC2)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)C1CCN(C)CC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C[C@@H]2COCCN2)C1 |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C1CCN(C)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C1CN(C)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCN)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCNC)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C[C@@H]2COCCN2)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCN2CCOCC2)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCNC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCN(C)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCN(C)C)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C[C@@H]2COCCN2C)CC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCCNC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCCN(C)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C(C)CN |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C1CCNC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C1CCN(C)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C1CCCNC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(C1)C1CCCN(C)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C1CCNC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C1CCN(C)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCN(C)C)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C[C@@H]2COCCN2C)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C1CCCNC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C1CCCN(C)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=C(C)CNCC1 |c:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CC2CCCC(C1)N2 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CC(C)(C)NC(C)(C)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C(C)CNCC1 |c:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC2COCC(C1)N2 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCC2(CNC2)OC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CC[C@H](C)NC1 |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CC[C@@H](C)NC1 |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=C(C)CCNC1 |c:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCNC1C |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@@H](C)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C(C)CCNC1 |c:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCNC1C |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CC(C)NC1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=C[C@H](CO)NC1 |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=C[C@@H](CO)NC1 |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=C[C@H](COC)NC1 |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=C[C@@H](COC)NC1 |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=C[C@H](CC#N)NC1 |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC(C)NC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@@H](CO)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@@H](COC)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CC#N)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=C[C@@H](CC#N)NC1 |r,t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@@H](CC#N)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@@H](NC1)C(=O)OC |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](NC1)C(=O)OC |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](NC1)C(=O)N1CC(C1)N(C)C |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CC(=O)OC)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@@H](CC(=O)OC)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CC(=O)N(C)C)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@@H](CC(=O)N(C)C)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(CCO)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(CCCO)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(C1)C(C)CO |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(CCC(C)(C)O)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(C[C@H](C)CO)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(C[C@@H](C)CO)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CO)N(CCO)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CO)N(CCCO)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(C1)[C@@H]1C[C@H](O)C1 |r,wU:27.31,31.35,33.38,t:28,(-1.85,.66,;-3.14,1.5,;-4.52,.81,;-5.8,1.66,;-7.18,.97,;-8.47,1.82,;-7.27,-.57,;-5.98,-1.42,;-4.61,-.72,;-3.32,-1.57,;-1.94,-.88,;-.66,-1.73,;-.75,-3.27,;.33,-4.36,;-.37,-5.73,;-1.89,-5.48,;-2.13,-3.96,;-3.41,-3.11,;-4.79,-3.8,;1.86,-4.13,;2.56,-2.76,;4.08,-3.01,;4.31,-4.54,;2.94,-5.23,;5.18,-1.93,;6.66,-2.34,;7.76,-1.26,;7.37,.23,;8.47,1.32,;5.89,.64,;4.79,-.44,;5.5,2.13,;6.27,3.46,;4.95,4.24,;4.56,5.73,;4.17,2.91,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(CCCOC)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(CC2COC2)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(C1)C1CCOCC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(C[C@H]2COCCN2)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(CCN2CCOCC2)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(CCN2CCCC2=O)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CO)N(CCCOC)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CO)N(C1)C1COC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CO)N(C1)C1CCOCC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(CC(=O)NC)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(CCS(C)(=O)=O)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(CCS(=O)(=O)NC)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(CCNS(C)(=O)=O)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CO)N(CCS(C)(=O)=O)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@@H](CO)N(CCS(=O)(=O)NC)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@@H](CO)N(CCS(=O)(=O)N(C)C)C1 |r,t:28|
CCN1CC=C(C1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |c:4|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCNCC1 |t:28|
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCNC1 |t:28|
CCOC(=O)C[C@@H]1NCC(=C1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |r,c:9|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)[C@@H]1CC[C@H](O)CC1 |r,wU:28.32,31.36,t:27,(-1.62,.03,;-2.96,.8,;-4.29,.03,;-5.62,.8,;-6.96,.03,;-8.29,.8,;-6.96,-1.51,;-5.62,-2.28,;-4.29,-1.51,;-2.96,-2.28,;-1.62,-1.51,;-.29,-2.28,;-.29,-3.82,;.85,-4.85,;.23,-6.26,;-1.3,-6.1,;-1.62,-4.59,;-2.96,-3.82,;2.36,-4.53,;2.99,-3.13,;4.52,-3.29,;4.84,-4.79,;3.51,-5.56,;5.55,-2.14,;7.08,-2.3,;7.71,-.9,;6.56,.13,;5.23,-.64,;6.72,1.67,;8.13,2.29,;8.29,3.82,;7.05,4.73,;7.21,6.26,;5.64,4.1,;5.48,2.57,)|
CCCN1CC=C(C1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |c:5|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CO)N(C)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC2CC2)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c(C)[nH]1)C1=CCNCC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@@H](C)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C(C)CNC1 |c:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C(CNCC1)C(=O)OC |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C(CCNC1)C(=O)OC |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(Cc2cn[nH]c2)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCO)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCNCC1C |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](C)NCC1 |r,t:28|
CCOC(=O)C1CC=C(CN1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |c:7|
CCOC(=O)C1=C(CNCC1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |t:5|
CCOC(=O)C1=C(CNCC1)c1c[nH]c(n1)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |t:5|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C1CCC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C2CCC2)[C@H]1CO |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)[C@@H]1CC[C@H](O)CC1 |r,wU:29.33,32.37,t:28,(-1.63,.04,;-2.96,.82,;-4.3,.05,;-5.63,.83,;-6.96,.06,;-8.3,.83,;-6.97,-1.48,;-5.64,-2.25,;-4.3,-1.49,;-2.97,-2.26,;-1.63,-1.5,;-.3,-2.27,;-.31,-3.81,;.83,-4.84,;.2,-6.25,;-1.33,-6.08,;-1.64,-4.58,;-2.98,-3.8,;-4.31,-4.57,;2.34,-4.53,;2.97,-3.12,;4.5,-3.29,;4.82,-4.8,;3.48,-5.56,;5.54,-2.15,;7.07,-2.31,;7.7,-.91,;6.56,.13,;5.22,-.64,;6.72,1.66,;8.13,2.28,;8.3,3.81,;7.05,4.72,;7.22,6.25,;5.64,4.1,;5.48,2.57,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCC(C)(C)NC1 |t:28|
CCOC[C@@H]1NCC(=C1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |r,c:7|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCC2(O)CCC2)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CC(=O)OC(C)C)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@@H](NC1)[C@H](C)O |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN[C@@H](C)C1 |r,t:28|
CCC1CC(=CCN1)c1c[nH]c(n1)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |c:4|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNC1C |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CCO)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C(CCNC1)C(=O)OC(C)C |t:28|
CCCCN1CC=C(C1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |c:6|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCNC(=O)C2CCC2)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C[C@@H](C)CO)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN[C@H](C)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCC2(O)CC2)C1 |t:28|
CCC1NCC(=C1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |c:5|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCC2(O)CC2)CC1 |t:28|
CCOC(=O)C1=C(CCNC1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |t:5|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNCC1C |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C(CNCC1)C(=O)OC(C)C |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(Cc2cnoc2)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC(C)CNC1 |t:28|
CCc1cc(O)c(C)cc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNC1 |t:29|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CO)N(CCC(C)(C)O)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)[C@H]1CC[C@](C)(O)CC1 |r,wU:29.33,32.37,wD:32.38,t:28,(-1.66,.06,;-2.99,.83,;-4.33,.06,;-5.66,.83,;-6.99,.06,;-8.33,.83,;-6.99,-1.48,;-5.66,-2.25,;-4.33,-1.48,;-2.99,-2.25,;-1.66,-1.48,;-.33,-2.25,;-.33,-3.79,;.82,-4.82,;.19,-6.23,;-1.34,-6.07,;-1.66,-4.56,;-2.99,-3.79,;-4.33,-4.56,;2.33,-4.5,;2.95,-3.1,;4.48,-3.26,;4.8,-4.77,;3.47,-5.54,;5.51,-2.11,;7.05,-2.28,;7.67,-.87,;6.53,.16,;5.19,-.61,;6.69,1.69,;5.47,2.64,;5.69,4.17,;7.11,4.74,;7.88,6.08,;6.71,6.23,;8.33,3.8,;8.12,2.27,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C1CCC(CO)CC1 |t:28,(-2.06,.57,;-3.21,1.6,;-4.67,1.12,;-5.82,2.15,;-7.28,1.67,;-8.43,2.7,;-7.6,.17,;-6.46,-.86,;-4.99,-.39,;-3.85,-1.42,;-2.38,-.94,;-1.24,-1.97,;-1.56,-3.48,;-.65,-4.72,;-1.56,-5.97,;-3.02,-5.49,;-3.02,-3.95,;-4.17,-2.92,;-5.63,-3.4,;.89,-4.72,;1.79,-3.48,;3.26,-3.95,;3.26,-5.49,;1.79,-5.97,;4.5,-3.05,;5.97,-3.52,;6.87,-2.28,;5.97,-1.03,;4.5,-1.51,;6.44,.43,;7.95,.75,;8.43,2.22,;7.39,3.36,;7.87,4.83,;6.84,5.97,;5.89,3.04,;5.41,1.58,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C[C@H](C)CO)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)CN(C)C |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCC2(O)CCC2)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC2CN(C)CCN2CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC(C)(C)NC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC[C@H](C)N(C1)[C@H]1C[C@H](O)C1 |r,wU:27.31,31.35,wD:33.38,t:28,(-1.8,.42,;-3.13,1.19,;-4.47,.42,;-5.8,1.19,;-7.13,.42,;-8.47,1.19,;-7.13,-1.12,;-5.8,-1.89,;-4.47,-1.12,;-3.13,-1.89,;-1.8,-1.12,;-.46,-1.89,;-.46,-3.43,;.68,-4.46,;.05,-5.86,;-1.48,-5.7,;-1.8,-4.2,;-3.13,-3.43,;-4.47,-4.2,;2.19,-4.14,;2.81,-2.73,;4.34,-2.89,;4.66,-4.4,;3.33,-5.17,;5.37,-1.75,;6.88,-2.07,;7.91,-.92,;7.44,.54,;8.47,1.69,;5.93,.86,;4.9,-.28,;5.45,2.33,;4.08,3.03,;4.78,4.4,;4.3,5.86,;6.15,3.7,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCCN(CCC2(O)CC2)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@@H](C)NCC1 |r,t:28|
CCN(CC)C(=O)C[C@@H]1NCC(=C1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |r,c:11|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)[C@H]1CC[C@@](C)(O)CC1 |r,wU:29.33,32.38,wD:32.37,t:28,(-1.62,.13,;-2.96,.9,;-4.29,.13,;-5.62,.9,;-6.96,.13,;-8.29,.9,;-6.96,-1.41,;-5.62,-2.18,;-4.29,-1.41,;-2.96,-2.18,;-1.62,-1.41,;-.29,-2.18,;-.29,-3.72,;.85,-4.75,;.23,-6.16,;-1.3,-6,;-1.62,-4.49,;-2.96,-3.72,;-4.29,-4.49,;2.36,-4.43,;2.99,-3.03,;4.52,-3.19,;4.84,-4.69,;3.51,-5.46,;5.55,-2.04,;7.08,-2.2,;7.71,-.8,;6.56,.23,;5.23,-.54,;6.72,1.76,;5.48,2.67,;5.64,4.2,;7.05,4.83,;7.82,6.16,;6.28,6.16,;8.29,3.92,;8.13,2.39,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCC(=O)NC)C1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCNC2(CC2)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@@H](CO)N(C)C1 |r,t:28|
CC(F)(F)c1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNC1 |t:30|
CCC1CC(=CCN1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |c:4|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN[C@@H](CO)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CO)NCC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)CNC |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1CCC(CO)NC1
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)CN1CCCC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNC2(CC2)C1 |t:28|
C[C@@H]1CC(=C[C@@H](C)N1)c1c[nH]c(n1)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1C |r,c:3|
CCOC(=O)C1=C(CCNC1)c1c[nH]c(n1)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |t:5|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CO)N(Cc2cnoc2)C1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCNC(C1)C(C)(C)C |t:27|
Oc1ccc(c(CC(F)(F)F)c1)-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNC1 |t:31|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC2CNCCN2CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)[C@H]1CC[C@](O)(CC1)C(F)(F)F |r,wU:29.33,32.41,wD:32.37,t:28,(-3.39,1.7,;-4.16,3.04,;-5.7,3.04,;-6.47,4.37,;-8.01,4.37,;-8.78,5.7,;-8.78,3.04,;-8.01,1.7,;-6.47,1.7,;-5.7,.37,;-4.16,.37,;-3.39,-.96,;-4.16,-2.3,;-3.68,-3.76,;-4.93,-4.67,;-6.18,-3.76,;-5.7,-2.3,;-6.47,-.96,;-8.01,-.96,;-2.22,-4.24,;-.97,-3.33,;.27,-4.24,;-.2,-5.7,;-1.74,-5.7,;1.74,-3.76,;2.98,-4.67,;4.23,-3.76,;3.75,-2.3,;2.21,-2.3,;4.66,-1.05,;4.03,.35,;4.94,1.6,;6.47,1.44,;8.01,1.44,;7.1,.03,;6.19,-1.21,;7.24,2.77,;8.01,4.11,;6.47,4.11,;8.78,2.77,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CC(=O)N2CCCC2)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CC(=O)N2CCOCC2)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)CNCCOC |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)CCN(C)C |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)CN(CCO)CCO |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)CN1CCN(C)CC1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=C[C@@H](C)N[C@@H](C)C1 |r,t:27|
C[C@H]1CC(=C[C@@H](C)N1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1C |r,c:3|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNC(C1)C(C)C |t:28|
Oc1ccc(c(CC(F)(F)F)c1)-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCNCC1 |t:30|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNC(C1)C(C)(C)C |t:28|
CCc1cc(O)c(C)cc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNCC1 |t:29|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC(NC1)c1ccccc1 |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C[C@H](CC(=O)N2CCN(C)CC2)NC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)COCCN(C)C |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)[C@H](COC)NC |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCNC(C)(C)C1 |t:27|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNC(C)(C)C1 |t:28|
Oc1ccc(c(CC(F)(F)F)c1)-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCNC1 |t:30|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=C(CNCC1)C(=O)N(C)C |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)CCNC |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)CCNCCOC |t:28|
C[C@@H]1CC(=C[C@@H](C)N1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1C |r,c:3|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 |r,t:27|
Oc1ccc(c(CF)c1)-c1ccc2c(n[nH]c2c1F)-c1nc(C2=CCNC2)c(Br)[nH]1 |t:25|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)[C@H](CO)NC |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN[C@H](CO)C1 |r,t:28|
Oc1ccc(c(CC(F)(F)F)c1)-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCNCC1 |t:31|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CC(NC1)C(C)C |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C(=O)COCCNCCOC |t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C[C@@H]2CCN2)CC1 |r,t:28|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)[C@H]1CC[C@@](O)(CC1)C(F)(F)F |r,wU:29.33,32.37,wD:32.41,t:28,(-3.45,1.7,;-4.22,3.04,;-5.76,3.04,;-6.53,4.37,;-8.07,4.37,;-8.84,5.7,;-8.84,3.04,;-8.07,1.7,;-6.53,1.7,;-5.76,.37,;-4.22,.37,;-3.45,-.96,;-4.22,-2.3,;-3.75,-3.76,;-4.99,-4.67,;-6.24,-3.76,;-5.76,-2.3,;-6.53,-.96,;-8.07,-.96,;-2.28,-4.24,;-1.04,-3.33,;.21,-4.24,;-.27,-5.7,;-1.81,-5.7,;1.67,-3.76,;2.92,-4.67,;4.17,-3.76,;3.69,-2.3,;2.15,-2.3,;4.6,-1.05,;3.97,.35,;4.87,1.6,;6.41,1.44,;7.95,1.29,;7.03,.03,;6.13,-1.21,;7.31,2.69,;6.68,4.09,;8.84,2.52,;8.22,3.93,)|
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCS(=O)(=O)NC)C1 |t:28|
Cn1cc(Nc2nccc(n2)C2=CC3CCC(C2)N3C(=O)[C@@H]2C[C@H]2F)cn1 |r,t:12|
Cn1cc(Nc2nccc(n2)C2=C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2F)cn1 |r,t:12,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)C2=C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2F)cn1 |r,t:12,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)C2=CC3CCC(C2)N3C(=O)[C@H]2C[C@@H]2F)cn1 |r,t:12|
Cn1cc(Nc2nccc(n2)C2=C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@@H]2F)cn1 |r,t:12,THB:19:18:11.12.17:15.14|
Cn1cc(Nc2nccc(n2)C2=C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@@H]2F)cn1 |r,t:12,THB:19:18:11.12.17:15.14|
Cc1cnc(Nc2ccc3B(O)OCc3c2)nc1NC1CCCC1C#N
Cc1cc(Nc2ncc(C)c(NC3CCCC3C#N)n2)cc2COB(O)c12
Cc1cnc(Nc2cc3COB(O)c3c(Cl)c2)nc1NC1CCCC1C#N
Cc1cnc(Nc2cc3COB(O)c3c(Cl)c2)nc1NC1CCC[C@@H]1C#N |r|
Cc1cnc(Nc2cc3COB(O)c3c(Cl)c2)nc1NC1CCC[C@H]1C#N |r|
Cc1cnc(Nc2cc3COB4OCCOc(c2)c34)nc1NC1CCCC1C#N
OB1OCc2cc(Nc3ncc(Cl)c(NC4CCCC4C#N)n3)ccc12
Cc1cnc(Nc2cc3COB(O)c3c(c2)C(F)(F)F)nc1NC1CCCC1C#N
Cc1cnc(Nc2ccc3OB(O)C=Cc3c2)nc1NC1CCCC1C#N |c:13|
Cc1cnc(Nc2ccc3B(O)OCc3c2)nc1NC1CCCCC1C#N
Cc1cc(Nc2ncc(C)c(NC3CCCCC3C#N)n2)cc2COB(O)c12
Cc1cnc(Nc2cc3COB(O)c3c(Cl)c2)nc1NC1CCCCC1C#N
Cc1cnc(Nc2cc3COB(O)c3c(Cl)c2)nc1NC1CCCC[C@@H]1C#N |r|
Cc1cnc(Nc2cc3COB(O)c3c(Cl)c2)nc1NC1CCCC[C@H]1C#N |r|
Cc1cnc(Nc2cc3COB(O)c3c(c2)C(F)(F)F)nc1NC1CCCCC1C#N
Cc1cnc(Nc2cc3COB(O)c3c(c2)C(F)(F)F)nc1NC1CCCC[C@@H]1C#N |r|
Cc1cnc(Nc2cc3COB(O)c3c(c2)C(F)(F)F)nc1NC1CCCC[C@H]1C#N |r|
Cc1cnc(Nc2cc3COB(O)c3c(c2)C#N)nc1NC1CCCC[C@@H]1C#N |r|
Cc1cnc(Nc2cc3COB(O)c3c(c2)C#N)nc1NC1CCCC[C@H]1C#N |r|
Cc1cnc(Nc2cc3COB4OCCOc(c2)c34)nc1NC1CCCCC1C#N
Cc1cnc(Nc2ccc3B(O)OC(C)(C)c3c2)nc1NC1CCCCC1C#N
Cc1cnc(Nc2ccc3OB(O)C=Cc3c2)nc1NC1CCCCC1C#N |c:13|
CC1=Cc2cc(Nc3ncc(C)c(NC4CCCCC4C#N)n3)ccc2OB1O |t:1|
OB1OCc2cc(Nc3ncc(Cl)c(NC4CCCCC4C#N)n3)ccc12
Cc1cnc(Nc2cc3COB(O)c3c(c2)C#N)nc1NC1CCCC1C#N
OB1OCc2cc(Nc3ncc(Cl)c(NC4CCCCC4C#N)n3)cc(Cl)c12
OB1OCc2cc(Nc3ncc(F)c(NC4CCCCC4C#N)n3)cc(Cl)c12
OB1OCc2cc(Nc3ncc(c(NC4CCCCC4C#N)n3)C(F)(F)F)cc(Cl)c12
OB1OCc2cc(Nc3ncc(c(NC4CCCC4C#N)n3)C(F)(F)F)cc(Cl)c12
OB1OCc2cc(Nc3ncc(Cl)c(NC4CCCCC4C#N)n3)cc(F)c12
Cc1cc(Nc2ncc(Cl)c(NC3CCCCC3C#N)n2)cc2COB(O)c12
Cc1cnc(Nc2cc3COB(O)c3c(c2)C2CC2)nc1NC1COCCC1C#N
Cc1cnc(Nc2ccc3B(O)OCc3c2)nc1NC1COCCC1C#N
Cc1cnc(Nc2ccc3B(O)OCc3c2)nc1NC1COCC[C@@H]1C#N |r|
Cc1cnc(Nc2ccc3B(O)OCc3c2)nc1NC1COCC[C@H]1C#N |r|
Cc1cc(Nc2ncc(C)c(NC3COCCC3C#N)n2)cc2COB(O)c12
CC1OB(O)c2ccc(Nc3ncc(C)c(NC4COCCC4C#N)n3)cc12
Cc1cnc(Nc2cc3COB(O)c3c(F)c2)nc1NC1COCCC1C#N
Cc1cnc(Nc2cc3COB(O)c3c(F)c2)nc1NC1COCC[C@@H]1C#N |r|
Cc1cnc(Nc2cc3COB(O)c3c(F)c2)nc1NC1COCC[C@H]1C#N |r|
Cc1cnc(Nc2cc3COB(O)c3c(Cl)c2)nc1N[C@@H]1CCCOC1 |r|
Cc1cnc(Nc2cc3COB(O)c3c(Cl)c2)nc1N[C@H]1CCCOC1 |r|
Cc1cnc(Nc2cc3COB(O)c3c(Cl)c2)nc1NC1COCCC1C#N
Cc1cnc(Nc2cc3COB(O)c3c(Cl)c2)nc1NC1COCC[C@@H]1C#N |r|
Cc1cnc(Nc2cc3COB(O)c3c(Cl)c2)nc1NC1COCC[C@H]1C#N |r|
Cc1cnc(Nc2ccc3B(O)OC(C)(C)c3c2)nc1NC1COCCC1C#N
Cc1cnc(Nc2cc3COB(O)c3c(c2)C(F)(F)F)nc1NC1COCC[C@@H]1C#N |r|
Cc1cnc(Nc2cc3COB(O)c3c(c2)C(F)(F)F)nc1NC1COCC[C@H]1C#N |r|
Cc1cnc(Nc2ccc3C=CB(O)Oc3c2)nc1NC1COCCC1C#N |c:10|
Cc1cnc(Nc2ccc3OB(O)C=Cc3c2)nc1NC1COCCC1C#N |c:13|
Cc1cnc(Nc2cc(F)c3OB(O)C=Cc3c2)nc1NC1COCC[C@H]1C#N |r,c:14|
Cc1cnc(Nc2cc(F)c3OB(O)C=Cc3c2)nc1NC1COCC[C@@H]1C#N |r,c:14|
Cc1cnc(Nc2cc3C=CB(O)Oc3c(c2)C(F)(F)F)nc1NC1COCCC1C#N |c:9|
CC1=Cc2cc(Nc3ncc(C)c(NC4COCCC4C#N)n3)ccc2OB1O |t:1|
CC(C)C1=CB(O)Oc2ccc(Nc3ncc(C)c(NC4COCC[C@H]4C#N)n3)cc12 |r,t:3|
CC(C)C1=CB(O)Oc2ccc(Nc3ncc(C)c(NC4COCC[C@@H]4C#N)n3)cc12 |r,t:3|
CC(C)C1=CB(O)Oc2c(Cl)cc(Nc3ncc(C)c(NC4COCC[C@H]4C#N)n3)cc12 |r,t:3|
CC(C)C1=CB(O)Oc2c(Cl)cc(Nc3ncc(C)c(NC4COCC[C@@H]4C#N)n3)cc12 |r,t:3|
Cc1cc(Nc2ncc(Cl)c(NC3COCC[C@@H]3C#N)n2)cc2COB(O)c12 |r|
Cc1cc(Nc2ncc(Cl)c(NC3COCC[C@H]3C#N)n2)cc2COB(O)c12 |r|
OB1OCc2cc(Nc3ncc(Cl)c(NC4COCC[C@@H]4C#N)n3)cc(c12)C(F)(F)F |r|
OB1OCc2cc(Nc3ncc(Cl)c(NC4COCC[C@H]4C#N)n3)cc(c12)C(F)(F)F |r|
Cc1cnc(Nc2cc3COB(O)c3c(c2)C(F)(F)F)nc1NC1COC[C@@H]1C#N |r|
Cc1cnc(Nc2cc3COB(O)c3c(c2)C(F)(F)F)nc1NC1COC[C@H]1C#N |r|
COc1cc(Nc2ncc(C)c(NC3COCC[C@@H]3C#N)n2)cc2COB(O)c12 |r|
COc1cc(Nc2ncc(C)c(NC3COCC[C@H]3C#N)n2)cc2COB(O)c12 |r|
OB1OCc2cc(Nc3ncc(F)c(NC4COCCC4C#N)n3)cc(Cl)c12
OB1OCc2cc(Nc3ncc(Cl)c(NC4COCCC4C#N)n3)ccc12
OB1OCc2cc(Nc3ncc(Cl)c(NC4COCCC4C#N)n3)cc(Cl)c12
OB1OCc2cc(Nc3ncc(c(NC4COCCC4C#N)n3)C(F)(F)F)cc(Cl)c12
OB1OCc2cc(Nc3ncc(Cl)c(NC4COCCC4C#N)n3)cc(F)c12
CCC(CC)Nc1nc(Nc2ccc3B(O)OCc3c2)ncc1C
CCC(CC)Nc1nc(Nc2cc3COB(O)c3c(Cl)c2)ncc1C
CCC(CC)Nc1nc(Nc2cc3COB(O)c3c(F)c2)ncc1C
CCC(CC)Nc1nc(Nc2cc3COB(O)c3c(C)c2)ncc1C
CCC(CC)Nc1nc(Nc2ccc3B(O)OCc3c2)ncc1Cl
Cc1cnc(Nc2ccc3B(O)OCc3c2)nc1NC1CCCC1
Cc1cnc(Nc2cc3COB(O)c3c(Cl)c2)nc1NC1CCCC1
Cc1cc(Nc2ncc(C)c(NC3CCCC3)n2)cc2COB(O)c12
Cc1cnc(Nc2ccc3B(O)OC(C)(C)c3c2)nc1NC1CCCC1
OB1OCc2cc(Nc3nccc(NC4CCCCC4)n3)ccc12
Cc1cnc(Nc2ccc3B(O)OCc3c2)nc1NC1CCCCC1
Cc1cnc(Nc2cc3COB(O)c3c(Cl)c2)nc1NC1CCCCC1
OB1OCc2cc(Nc3ncc(F)c(NC4CCCC4)n3)ccc12
OB1OCc2cc(Nc3ncc(Cl)c(NC4CCCC4)n3)ccc12
OB1OCc2cc(Nc3ncc(Cl)c(NC4CCCC4)n3)cc(F)c12
Cc1cc(Nc2ncc(Cl)c(NC3CCCC3)n2)cc2COB(O)c12
OB1OCc2cc(Nc3ncc(F)c(NC4CCCCC4)n3)ccc12
OB1OCc2cc(Nc3ncc(Cl)c(NC4CCCCC4)n3)ccc12
OB1OCc2cc(Nc3ncc(c(NC4CCCC4)n3)C(F)(F)F)ccc12
OB1OCc2cc(Nc3ncc(c(NC4CCCCC4)n3)C(F)(F)F)ccc12
CN([C@@H]1CCN(C1)c1ccc(C#N)c(F)c1)c1ncnc2[nH]ccc12 |r|
CN(C1CCN(C1)c1ccc(nc1)C#N)c1ncnc2[nH]ccc12
CN([C@@H]1CCN(C1)c1ccc(cn1)C(=O)Nc1nccs1)c1ncnc2[nH]ccc12 |r|
NC(=O)c1cnc2ccsc2c1NC1CCN(C1)c1ccc(C#N)c(F)c1
COC(=O)C(N1CCC(C1)N(C)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1F
CN(C1CCN(C1)C(C(O)=O)c1ccc(Cl)cc1F)c1ncnc2[nH]ccc12
CCOC(=O)c1cnc2ccsc2c1NC1CCN(C1)c1ccc(C#N)c(F)c1
OC(=O)c1cnc2ccsc2c1NC1CCN(C1)c1ccc(C#N)c(F)c1
CN([C@@H]1CCN(C1)c1cc(F)ccc1C#N)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)c1cnc(nc1)C#N)c1ncnc2[nH]ccc12 |r|
COCCn1cc(Nc2ncc3cnn(Cc4cccc(NC(=O)C=C)c4)c3n2)cn1
Cn1cc(Nc2ncc3cnn(Cc4cccc(NC(=O)C=C)c4)c3n2)cn1
OCCn1cc(Nc2ncc3cnn(Cc4cccc(NC(=O)C=C)c4)c3n2)cn1
C=CC(=O)Nc1cccc(Cn2ncc3cnc(Nc4ccccc4)nc23)c1
Fc1ccc(Nc2ncc3cnn(Cc4cccc(NC(=O)C=C)c4)c3n2)cc1
C=CC(=O)Nc1cccc(Cn2ncc3cnc(Nc4ccc(cc4)N4CCOCC4)nc23)c1
CN1CCN(CC1)c1ccc(Nc2ncc3cnn(Cc4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCn1cc(Nc2ncc3cnn(Cc4cccc(NC(=O)C=CC)c4)c3n2)cn1 |w:25.25|
C\C=C\C(=O)Nc1cccc(Cn2ncc3cnc(Nc4cnn(C)c4)nc23)c1
C\C=C\C(=O)Nc1cccc(Cn2ncc3cnc(Nc4cnn(CCO)c4)nc23)c1
C\C=C\C(=O)Nc1cccc(Cn2ncc3cnc(Nc4ccccc4)nc23)c1
C\C=C\C(=O)Nc1cccc(Cn2ncc3cnc(Nc4ccc(F)cc4)nc23)c1
C\C=C\C(=O)Nc1cccc(Cn2ncc3cnc(Nc4ccc(cc4)N4CCOCC4)nc23)c1
C\C=C\C(=O)Nc1cccc(Cn2ncc3cnc(Nc4ccc(cc4)N4CCN(C)CC4)nc23)c1
COCCn1cc(Nc2ncc3cnn(Cc4ccc(NC(=O)C=C)cc4)c3n2)cn1
Cn1cc(Nc2ncc3cnn(Cc4ccc(NC(=O)C=C)cc4)c3n2)cn1
OCCn1cc(Nc2ncc3cnn(Cc4ccc(NC(=O)C=C)cc4)c3n2)cn1
C=CC(=O)Nc1ccc(Cn2ncc3cnc(Nc4ccccc4)nc23)cc1
Fc1ccc(Nc2ncc3cnn(Cc4ccc(NC(=O)C=C)cc4)c3n2)cc1
C=CC(=O)Nc1ccc(Cn2ncc3cnc(Nc4ccc(cc4)N4CCOCC4)nc23)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3cnn(Cc4ccc(NC(=O)C=C)cc4)c3n2)cc1
COCCn1cc(Nc2ncc3cnn(Cc4ccc(NC(=O)C=CC)cc4)c3n2)cn1 |w:24.24|
C\C=C\C(=O)Nc1ccc(Cn2ncc3cnc(Nc4cnn(C)c4)nc23)cc1
C\C=C\C(=O)Nc1ccc(Cn2ncc3cnc(Nc4cnn(CCO)c4)nc23)cc1
C\C=C\C(=O)Nc1ccc(Cn2ncc3cnc(Nc4ccccc4)nc23)cc1
C\C=C\C(=O)Nc1ccc(Cn2ncc3cnc(Nc4ccc(F)cc4)nc23)cc1
C\C=C\C(=O)Nc1ccc(Cn2ncc3cnc(Nc4ccc(cc4)N4CCOCC4)nc23)cc1
C\C=C\C(=O)Nc1ccc(Cn2ncc3cnc(Nc4ccc(cc4)N4CCN(C)CC4)nc23)cc1
OCc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(cnc12)-c1cnn2cccnc12
CN(C)C(=O)Cn1nc(-c2cc(Cl)ccc2OC(F)F)c2cc(cnc12)-c1cnn2cccnc12
COC(=O)c1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(cnc12)-c1cnn2cccnc12
CN(C)C(=O)Cc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(cnc12)-c1cnn2cccnc12
OC(=O)Cc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(cnc12)-c1cnn2cccnc12
Cc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(ncc12)-c1cnc2cccnn12
Cc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(ncc12)-c1cnn2cccnc12
Cc1nn(Cc2ccc(Cl)cc2F)c2cc(cnc12)-c1cnc2cccnn12
Cc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(cnc12)-c1cnn2cccnc12
Cc1nn(C2CCCN(C2)C(=O)CC#N)c2cc(cnc12)-c1cnn2cccnc12
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ncnn3c2)cn1
O=C([C@@H]1CC1(F)F)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C([C@H]1C[C@@H]1F)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
CC1C(C(=O)N2C3CCC2CN(c2ncnn4cc(-c5cnn(C(F)F)c5)cc24)C3)C1(F)F
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@H]4C[C@@H]4F)ncnn3c2)cn1
O=C(C1C(F)(F)C12CCC2)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C([C@H]1CC1(F)F)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C(C1CCC1F)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C(C1C(F)(F)C12CC2)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C(C1CCC1(F)F)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
N#CC1CC(C(=O)N2C3CCC2CN(c2ncnn4cc(-c5cnn(C(F)F)c5)cc24)C3)C1
CC1(C)C(C(=O)N2C3CCC2CN(c2ncnn4cc(-c5cnn(C(F)F)c5)cc24)C3)C1(F)F
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ccnn3c2)cn1
O=C(C1CC1)N1C2CCC1CN(c1ccnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4cnn(C(F)(F)F)c4)cc13)C2
O=C([C@@H]1CC1(F)F)N1C2CCC1CN(c1ccnn3cc(-c4cnn(C(F)(F)F)c4)cc13)C2
O=C(C1CC1)N1C2CCC1CN(c1ccnn3cc(-c4cnn(C(F)(F)F)c4)cc13)C2
O=C([C@@H]1CC1(F)F)N1C2CCC1CN(c1ccnn3cc(-c4cnn(C(F)F)c4)cc13)C2
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4CC4(F)F)ccnn3c2)cn1
Cn5cc(c4cc3c(N1CC2CCC(C1)N2C(=O)CC#N)ccnn3c4)cn5
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(C4CC4)cc13)C2
O=C([C@@H]1CC1(F)F)N1C2CCC1CN(c1ccnn3cc(C4CC4)cc13)C2
COc1nccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)c1F
COc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)c(F)cn1
CC(C)(C)OC(=O)N1C2CCC1CN(c1ccnn3cc(-c4cnn(C(F)(F)F)c4)cc13)C2
CC(C)(C)OC(=O)N1C2CCC1CN(c1ccnn3cc(C4CC4)cc13)C2
N#CC1(C(=O)N2C3CCC2CN(c2ncnn4cc(-c5cnn(C(F)F)c5)cc24)C3)CC1
CC(C(=O)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2)C(F)(F)F
CC(C)(F)C(=O)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
C[C@]1(F)C[C@@H](C(=O)N2C3CCC2CN(c2ncnn4cc(-c5cnn(C(F)F)c5)cc24)C3)C1
C[C@]1(F)C[C@H](C(=O)N2C3CCC2CN(c2ncnn4cc(-c5cnn(C(F)F)c5)cc24)C3)C1
CCOC1CC1C(=O)N2C6CCC2CN(c4ncnn5cc(c3cnn(C(F)F)c3)cc45)C6
O=C(C1CC(O)(C(F)(F)F)C1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
COc5nccc(c4cc3c(N2CC1CCC(C1)C2)ccnn3c4)c5F
COc1cc(-c2cc3c(N4CC5CCC(C5)C4)ccnn3c2)c(F)cn1
O=C(C1C[C@@H]1CO)N2C6CCC2CN(c4ncnn5cc(c3cnn(C(F)F)c3)cc45)C6
O=C(C1C[C@H]1CO)N2C6CCC2CN(c4ncnn5cc(c3cnn(C(F)F)c3)cc45)C6
CCC(=O)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
CC(C)C(=O)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C(CC(F)(F)F)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
N#CCC(=O)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C(N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2)C1(C(F)(F)F)CC1
O=C([C@H]1C[C@H]1F)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
N#C[C@@H]1C[C@@H]1C(=O)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C(C1CC(F)C1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C(C1CC1(F)F)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C(N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2)C1(F)CC1
O=C(C1CCC1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
CC1(C(=O)N2C3CCC2CN(c2ncnn4cc(-c5cnn(C(F)F)c5)cc24)C3)CCC1
N#C[C@H]1C[C@@H]1C(=O)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C([C@H]1C[C@@H]1F)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C(C1CC(F)(F)C1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
CC(F)(F)C(=O)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
CCC(=O)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C)c4)cc13)C2
CC(C)C(=O)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C)c4)cc13)C2
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)CC(F)(F)F)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@H]4C[C@H]4F)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@H]4C[C@@H]4F)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)CC#N)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4(F)F)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4(F)CC4)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@H]4C[C@H]4C#N)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@H]4C[C@@H]4C#N)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CCC4)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4(C)CCC4)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC(F)C4)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC(F)(F)C4)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4COC4)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C(C)(F)F)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C(C)(F)F)ncnn3c2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4C#N)ncnn3c2)cn1
O=C([C@H]1C[C@H]1F)N2C6CCC2CN(c4ncnn5cc(c3cnn(C(F)F)c3)cc45)C6
O=C([C@H]1C[C@@H]1F)N2C6CCC2CN(c4ncnn5cc(c3cnn(C(F)F)c3)cc45)C6
O=C([C@H]1CC1(F)F)N2C6CCC2CN(c4ncnn5cc(c3cnn(C(F)F)c3)cc45)C6
N#C[C@@H]1C[C@@H]1C(=O)N2C6CCC2CN(c4ncnn5cc(c3cnn(C(F)F)c3)cc45)C6
Cn6cc(c5cc4c(N1CC2CCC(C1)N2C(=O)[C@@H]3C[C@H]3F)ncnn4c5)cn6
Cn6cc(c5cc4c(N1CC2CCC(C1)N2C(=O)[C@@H]3C[C@@H]3F)ncnn4c5)cn6
Cn6cc(c5cc4c(N1CC2CCC(C1)N2C(=O)[C@H]3C[C@H]3F)ncnn4c5)cn6
Cn6cc(c5cc4c(N1CC2CCC(C1)N2C(=O)[C@@H]3C[C@H]3F)ncnn4c5)cn6
Cn6cc(c5cc4c(N1CC2CCC(C1)N2C(=O)[C@@H]3CC3(F)F)ncnn4c5)cn6
Cn6cc(c5cc4c(N1CC2CCC(C1)N2C(=O)[C@H]3CC3(F)F)ncnn4c5)cn6
Cn6cc(c5cc4c(N1CC2CCC(C1)N2C(=O)[C@H]3C[C@H]3C#N)ncnn4c5)cn6
O=C(N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2)C(F)(F)F
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C(F)(F)F)ncnn3c2)cn1
COc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)ccn1
COc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ncnn3c2)ccn1
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ncnn3cc(-c4ccnnc4)cc13)C2
Cc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ncnn3c2)ccn1
Cc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ncnn3c2)cn1
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ncnn3cc(-c4ccnc(C(F)F)c4)cc13)C2
CNc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ncnn3c2)ccn1
N#Cc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ncnn3c2)ccn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ncnn3c2)c(F)n1
Cn1ncc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ncnn3c2)c1F
COc1nn(C)cc1c6cc5c(N2CC3CCC(C2)N3C(=O)[C@@H]4C[C@H]4F)ncnn5c6
CNc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)ccn1
Cc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)ccn1
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccnc(C(F)F)c4)cc13)C2
N#Cc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)nc1
N#Cc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cn1
N#Cc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)ccn1
COc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)ncn1
Cc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)ncn1
COc1ncnc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)c1F
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ncc(F)cn4)cc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccnnc4)cc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ncnn3cc(-c4ccc(=O)n(C(F)F)c4)cc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccnc(OC(F)F)c4)cc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccnc(C(F)(F)F)c4)cc13)C2
Cc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cn1
COc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cn1
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccc(OC(F)F)nc4)cc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccc(C(F)F)nc4)cc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccc(C(F)(F)F)nc4)cc13)C2
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)c(F)n1
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccnc(N5CCC5)c4)cc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccnc(N5CC(F)(F)C5)c4)cc13)C2
Cn1ncc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)c1F
COc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)nn1
COc1cncc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)n1
COc1cnc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cn1
COc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)nn1
CNc1nccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)n1
CNc1cncc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)n1
CN(C)c1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)ccn1
CNc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cn1
Cc1cncc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)n1
Cc1cnc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cn1
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccc(=O)n(C(F)F)c4)cc13)C2
Cn1ncc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)c1F
CN(C)c1ccc(-c2cc3c(N4CC5CCC(C5)C4)ncnc3[nH]2)cn1
FC(F)(F)c1ccc(-c2cc3c(N4CC5CCC(C5)C4)ncnc3[nH]2)cn1
FC(F)(F)c1ccc(-c2cc3c(N4CC5CCC(C5)C4)ncnc3[nH]2)cn1
COc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cnn1
CN(C)c1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cnn1
COc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)c(F)cnc3[nH]2)ccn1
O=C(C1CC1)N1C2CCC1CN(c1c(F)cnn3cc(-c4cnn(C(F)F)c4)cc13)C2
Cn1cc(-c2cn3ncc(F)c(N4CC5CCC(C4)N5C(=O)[C@H]4C[C@@H]4F)c3n2)cn1
COc1cc(-c2cn3ncc(F)c(N4CC5CCC(C4)N5C(=O)[C@H]4C[C@@H]4F)c3n2)ccn1
Cn1cnc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ncnn3c2)c1
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ncnn3c2)c(F)n1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ncnn3c2)c(F)n1
CCn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ncnn3c2)cn1
CC(C)n1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ncnn3c2)cn1
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C5CCC5)c4)cc13)C2
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C5COC5)c4)cc13)C2
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C5CCOC5)c4)cc13)C2
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C5CCOCC5)c4)cc13)C2
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)(F)F)c4)cc13)C2
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(CF)c4)cc13)C2
O=C(C1CC1)N2C7CCC2CN(c5ncnn6cc(c4cnn([C@@H]3CCOC3)c4)cc56)C7
O=C(C1CC1)N2C7CCC2CN(c5ncnn6cc(c4cnn([C@H]3CCOC3)c4)cc56)C7
Cc6cc(c5cc4c(N1CC2CCC(C1)N2C(=O)C3CC3)ncnn4c5)on6
Cn6cc(c5cc4c(N1CC2CCC(C1)N2C(=O)[C@@H]3C[C@H]3F)ncnn4c5)cn6
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(CC5COC5)c4)cc13)C2
CCn1ncc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ncnn3c2)c1F
CC(C)n1ncc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ncnn3c2)c1F
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)c(F)c13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ncnn3cc(-c4ccnc(F)c4)cc13)C2
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ncnn3c2)ccc1=O
Cc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ncnn3c2)on1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ncnn3c2)cc(F)c1=O
Cc1c(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ncnn3c2)cnn1C
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccc(F)nc4)cc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccnc(F)c4)cc13)C2
Cn1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cc1=O
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)ccc1=O
Cc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)on1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cc(F)c1=O
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cc(F)c1=O
N#Cc1cccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ncnn3c2)c1
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4ccccc4)cc13)C2
COc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ncnn3c2)cn1
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4ccc(Cl)nc4)cc13)C2
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4ccnc(Cl)c4)cc13)C2
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4ccncc4)cc13)C2
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4ccccc4F)cc13)C2
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4cccnc4)cc13)C2
O=C(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4ccc5nncn5c4)cc13)C2
COc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ncnn3c2)cc1C#N
COc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ncnn3c2)cc1C#N
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5S(=O)(=O)C4CC4)ncnn3c2)cn1
O=S(=O)(C1CC1)N1C2CCC1CN(c1ncnn3cc(-c4cnn(C(F)F)c4)cc13)C2
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5S(=O)(=O)C4CC4)ccnn3c2)cn1
COc1cc(-c2cc3c(N4CC5CCC(C4)N5S(=O)(=O)C4CC4)ccnn3c2)ccn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5S(=O)(=O)C4CC4)ncnc3[nH]2)cn1
COc1cc(-c2cc3c(N4CC5CCC(C4)N5S(=O)(=O)C4CC4)ncnc3[nH]2)ccn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5S(=O)(=O)C4CC4)ccnc3[nH]2)cn1
COc1cc(-c2cc3c(N4CC5CCC(C4)N5S(=O)(=O)C4CC4)ccnc3[nH]2)ccn1
Cn1cc(-c2nc3c(N4CC5CCC(C4)N5S(=O)(=O)C4CC4)ccnc3[nH]2)cn1
COc1cc(-c2nc3c(N4CC5CCC(C4)N5S(=O)(=O)C4CC4)ccnc3[nH]2)ccn1
COc1cc(-c2nc3c(N4CC5CCC(C4)N5S(=O)(=O)C4CC4)ccnc3[nH]2)ccn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5S(=O)(=O)[C@@H]4CC4(F)F)ccnn3c2)cn1
Cn1cc(-c2nc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ccnc3[nH]2)cn1
Cn1cc(-c2nc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)cn1
Cn1cc(-c2nc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4CC4(F)F)ccnc3[nH]2)cn1
Cc1cc(-c2nc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)ccn1
COc1cc(-c2nc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)ccn1
N#Cc1cc(-c2nc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)ccn1
Cc1ccc(-c2nc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)cn1
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnc3[nH]c(-c4ccc(C(F)F)nc4)nc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnc3[nH]c(-c4ccnnc4)nc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnc3[nH]c(C4CC4)nc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnc3[nH]c(C4CCC4)nc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnc3[nH]c(C4(F)CC4)nc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnc3[nH]c(C4CCOC4)nc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnc3[nH]c(N4CCOCC4)nc13)C2
Cn1cc(-c2nc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)c(F)cnc3[nH]2)c(F)n1
Cn1cc(-c2nc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)c(F)cnc3[nH]2)c(F)n1
N#CC1CC1c1nc2c(N3CC4CCC(C3)N4C(=O)[C@@H]3C[C@H]3F)ccnc2[nH]1
Cn1cc(-c2nc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)c(F)n1
CNc1cc(-c2nc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)ccn1
CN1CCOC(c2nc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)C1
O=C(C1CC1)N1C2CCC1CN(c1ncnc3[nH]c(-c4cnn(C(F)F)c4)cc13)C2
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ncnc3[nH]2)cn1
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ncnc3[nH]c(-c4cnn(C(F)F)c4)cc13)C2
O=C([C@@H]1CC1(F)F)N1C2CCC1CN(c1ncnc3[nH]c(-c4cnn(C(F)F)c4)cc13)C2
O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ncnc3[nH]c(-c4ccnc(C(F)(F)F)c4)cc13)C2
COc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ncnc3[nH]2)cn1
COc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ncnc3[nH]2)cn1
CN(C)c1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4C[C@H]4F)ncnc3[nH]2)cn1
N#Cc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4C[C@H]4F)ncnc3[nH]2)cn1
O=C(C1C[C@H]1F)N1C2CCC1CN(c1ncnc3[nH]c(-c4ccc(C(F)(F)F)nc4)cc13)C2
O=C(C1C[C@H]1F)N1C2CCC1CN(c1ncnc3[nH]c(-c4cncc(F)c4)cc13)C2
Cc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4C[C@H]4F)ncnc3[nH]2)ccn1
COc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4C[C@H]4F)ncnc3[nH]2)ccn1
O=C(C1C[C@H]1F)N1C2CCC1CN(c1ncnc3[nH]c(-c4ccncc4F)cc13)C2
N#Cc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4C[C@H]4F)ncnc3[nH]2)ccn1
O=C(C1C[C@H]1F)N1C2CCC1CN(c1ncnc3[nH]c(-c4ccnnc4)cc13)C2
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4C[C@H]4F)ncnc3[nH]2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4C[C@H]4F)ncnc3[nH]2)cn1
O=C(C1CC1)N1C2CCC1CN(c1ccnc3[nH]c(-c4cnn(C(F)F)c4)cc13)C2
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4CC4(F)F)ccnc3[nH]2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4(F)CC4)ccnc3[nH]2)cn1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4CC4(F)F)ccnc3[nH]2)c(F)n1
Cn1ncc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4(F)CC4)ccnc3[nH]2)c1F
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4(F)CC4)ccnc3[nH]2)c(F)n1
Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)c(F)n1
COc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)ccn1
COc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)c(F)cn1
COc1nccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)c1F
COc1nccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)c1F
CC1=C(c2cnn(C)c2)NC2N=CC=C(N3CC4CCC(C3)N4C(=O)[C@@H]3C[C@H]3F)C12
Cn1cc(C2=C(C#N)C3C(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)=CC=NC3N2)cn1
Cn1cc(-c2cc3nccc(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)n3n2)cn1
Cn1cc(-c2cn3nccc(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)c3n2)cn1
N#CC(C1CCCC1)n1cc(-c2cccc3nc(NC(=O)C4CC4)cn23)cn1
N#CC(C1CC1)n1cc(-c2cccc3nc(NC(=O)C4CC4)cn23)cn1
N#CC(CC1CC1)n1cc(-c2cccc3nc(NC(=O)C4CC4)cn23)cn1
CCC(C#N)n1cc(-c2cccc3nc(NC(=O)C4CC4)cn23)cn1
CCCC(CC#N)n1cc(-c2cccc3nc(NC(=O)C4CC4)cn23)cn1
COCC(CC#N)n1cc(-c2cccc3nc(NC(=O)C4CC4)cn23)cn1
CCCCC(CC#N)n1cc(-c2cccc3nc(NC(=O)C4CC4)cn23)cn1
CC(C)CCC(CC#N)n1cc(-c2cccc3nc(NC(=O)C4CC4)cn23)cn1
COCCC(CC#N)n1cc(-c2cccc3nc(NC(=O)C4CC4)cn23)cn1
N#CCC(CCC(F)(F)F)n1cc(-c2cccc3nc(NC(=O)C4CC4)cn23)cn1
N#CCC(C1CCCC1)n1cc(-c2cccc3nc(NC(=O)C4CC4)cn23)cn1
N#CCC1(n2cc(-c3cccc4nc(NC(=O)C5CC5)cn34)cn2)CCC(F)(F)CC1
N#CCC1(n2cc(-c3cccc4nc(NC(=O)C5CC5)cn34)cn2)CCC(C(F)(F)F)CC1
N#CCC1(n2cc(-c3cccc4nc(NC(=O)C5CC5)cn34)cn2)CCCCC1
CS(=O)(=O)C1CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)C1
CS(=O)(=O)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)CC1
O=C(Nc1cn2c(-c3ccc(OC4CCS(=O)(=O)CC4)cc3)cccc2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OC4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
CS(=O)(=O)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)c(F)c2)CC1
O=C(Nc1cn2c(-c3ccc(ON4CCS(=O)CC4)cc3)cccc2n1)C1CC1
O=C(Nc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)cccc2n1)C1CC1F
O=C(Nc4cn3c(c2ccc(CN1CCS(=O)(=O)CC1)cc2)cccc3n4)C5C[C@@H]5F
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1F
O=C(Nc4nc3cccc(c2ccc(CN1CCS(=O)(=O)CC1)cc2)n3n4)C5C[C@@H]5F
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1(F)CC1
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1(F)F
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1C[C@H]1F
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1C[C@@H]1F
O=C(Nc1cn2c(-c3ccc(CN4CCC(F)(F)CC4)cc3)cccc2n1)C1CC1
O=C(Nc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)cc3F)cccc2n1)C1CC1F
CCS(=O)(=O)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)CC1
CCCS(=O)(=O)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)CC1
CC(C)S(=O)(=O)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)CC1
CC(C)CS(=O)(=O)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)CC1
Cc1cc(Nc2ncc(C)c(N3CC(C#N)C3)n2)sn1
Cc1cc(Nc2ncc(C)c(N3CC(CC#N)(N4CCN(C)[C@H](C)C4)C3)n2)sn1
CC(C)=C(C#N)C(=O)Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12
Cn1cccc(C(=O)Nc2cccc3c(-c4ccnc(NC(=O)C5CC5)c4)c[nH]c23)c1=O
O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1cc(F)cc(F)c1
N#Cc1cc(C(=O)Nc2cccc3c(-c4ccnc(NC(=O)C5CC5)c4)c[nH]c23)ccn1
O=C(Nc1cc(-c2c[nH]c3c(NC(=O)C4CCCCC4)cccc23)ccn1)C1CC1
CCc1c[nH]c(C(=O)Nc2cccc3c(-c4ccnc(NC(=O)C5CC5)c4)c[nH]c23)c1
O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1ccnc(F)c1
O=C(NCC(F)(F)F)Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)cn(C(=O)NCC(F)(F)F)c12
Cc1cc(C)cc(C(=O)Nc2cccc3c(-c4ccnc(NC(=O)C5CC5)c4)c[nH]c23)c1
O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1cccc(F)c1
O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1cncs1
O=C(NCC(F)(F)F)Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12
CCCC(=O)Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12
CC(C)=C(C#N)C(=O)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1
Cc1cnc(NC(=O)C2CC2)cc1-c1c[nH]c2c(NC(=O)CC#N)cccc12
N#CCC(=O)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1
CC(C)=C(C#N)C(=O)Nc1cccc2c(-c3cc(C)nc(NC(=O)C4CC4)c3)c[nH]c12
O=C(Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1)c1ccnc(F)c1
N#CCC(=O)Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12
Cc1ncc(C(=O)Nc2cccc3c2ccn3-c2ccnc(NC(=O)C3CC3)c2)s1
N#CC1(C(=O)Nc2cccc3c(-c4ccnc(NC(=O)C5CC5)c4)c[nH]c23)CCOCC1
O=C(Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1)c1cc(F)cc(F)c1
CC(C)=C(C#N)C(=O)Nc1cccc2c(-c3cc(NC(=O)C4CC4)ncc3C)c[nH]c12
Cn1cccc(C(=O)Nc2cccc3c2ccn3-c2ccnc(NC(=O)C3CC3)c2)c1=O
N#CC1(CC(=O)Nc2cccc3c(-c4ccnc(NC(=O)C5CC5)c4)c[nH]c23)CC1
N#C/C(=C/c1cccs1)C(=O)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1
CC(C#N)C(=O)Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12
N#Cc1ccc(C(=O)Nc2cccc3c2ccn3-c2ccnc(NC(=O)C3CC3)c2)cc1
CC(C)=C(C#N)C(=O)Nc1cc(C)cc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12
N#C/C(=Cc1ccccc1)C(=O)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1
Cc1cc(NC(=O)c2cnc(C)cn2)c2[nH]cc(-c3ccnc(NC(=O)C4CC4)c3)c2c1
Cn1c(C(=O)Nc2cccc3c2ccn3-c2ccnc(NC(=O)C3CC3)c2)cc2ccccc21
CC(C)=C(C)C(=O)Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12
N#CC1(C(=O)Nc2cccc3c2ccn3-c2ccnc(NC(=O)C3CC3)c2)CCOCC1
CC(C(=O)Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)N1CCN(C)CC1
N#Cc1cc(C(=O)Nc2cccc3c2ccn3-c2ccnc(NC(=O)C3CC3)c2)ccn1
COc1cc(-c2c[nH]c3c(NC(=O)C(C#N)=C(C)C)cccc23)cc(NC(=O)C2CC2)n1
COc1cc(-c2c[nH]c3c(NC(=O)CC#N)cccc23)cc(NC(=O)C2CC2)n1
O=C(Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1)c1ccnc(F)c1F
O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1nc(C(F)(F)F)cs1
CC(C#N)C(=O)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1
N#C/C(=Cc1ccccc1)C(=O)Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12
O=C(Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1)c1cc[nH]n1
O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1ccc[nH]1
COc1ccc(C(=O)Nc2cccc3c2ccn3-c2ccnc(NC(=O)C3CC3)c2)cc1F
Cc1ccncc1C(=O)Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12
N#C[C@H]1C[C@H]1C(=O)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1
N#C/C(=Cc1cccs1)C(=O)Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12
N#CC1(CC(=O)Nc2cccc3c2ccn3-c2ccnc(NC(=O)C3CC3)c2)CC1
CC(C)=C(C#N)C(=O)Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)cn(C)c12
Cc1ccc(C(=O)Nc2cccc3c2ccn3-c2ccnc(NC(=O)C3CC3)c2)cn1
N#Cc1ccc(C(=O)Nc2cccc3c(-c4ccnc(NC(=O)C5CC5)c4)c[nH]c23)cc1
CC(C)=C(C)C(=O)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1
Cc1ccc(C(=O)Nc2cccc3c(-c4ccnc(NC(=O)C5CC5)c4)c[nH]c23)cn1
O=C(Nc1ccc(F)cc1F)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1
O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1ccc(C(F)(F)F)nc1
O=C(NCC(F)(F)F)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1
O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1cnc(F)c(F)c1
CC(C)=C(C#N)C(=O)Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)n[nH]c12
O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1cncc(F)c1
O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1ccc(Cl)nc1
O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1cc[nH]n1
Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)CC5(C[C@H](C#N)C5)C4)c3)n2)cn1
Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)CC5(C[C@H](C#N)C5)C4)c3)n2)cn1
Cn1ccc(-c2cn3nccc3c(-c3cnn(C(CC#N)C45CC(C#N)(C4)C5)c3)n2)n1
Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)CC5(C[C@H](C#N)C5)C4)c3)n2)cn1
Cn1ccc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)CC5(C[C@H](C#N)C5)C4)c3)n2)n1
N#CCN1CC2(C1)CC(CC#N)(n1cc(-c3nc(-c4ccn(C)n4)cn4nccc34)cn1)C2
Cn1ccc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC5(CN(C#N)C5)C4)c3)n2)n1
Cn1ccc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC5C(C#N)C5C4)c3)n2)n1
N#CN1CCC2(CC1)CC(CC#N)(n1cc(-c3nc(-c4ccn(C)n4)cn4nccc34)cn1)C2
Cn1ccc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC5(CCN(C#N)C5)C4)c3)n2)n1
Cn1ccc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)CC5(CC[C@H](C#N)CC5)C4)c3)n2)n1
Cn1ccc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)CC5(CC[C@H](C#N)CC5)C4)c3)n2)n1
Cn1nc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)CC5(C[C@@H](C#N)C5)C4)c3)n2)cc1N
Cn1nc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)CC5(C[C@@H](C#N)C5)C4)c3)n2)cc1N
Cn1cc(-c2cc(-c3cnn([C@]4(CC#N)CC5(C[C@@H](C#N)C5)C4)c3)c3ccnn3c2)cn1
Cn1cc(-c2cc(-c3cnn([C@]4(CC#N)CC5(C[C@@H](C#N)C5)C4)c3)c3ccnn3c2)cn1
Cn1ncc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)CC5(C[C@@H](C#N)C5)C4)c3)n2)c1N
Cn1ncc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)CC5(C[C@@H](C#N)C5)C4)c3)n2)c1N
N#CC[C@]1(n2cc(-c3nc(-c4cc(N)[nH]n4)cn4nccc34)cn2)CC2(C[C@H](C#N)C2)C1
N#CC[C@]1(n2cc(-c3nc(-c4cc(N)[nH]n4)cn4nccc34)cn2)CC2(C[C@H](C#N)C2)C1
O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r|
CNc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r|
O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)nc(nc12)N1CCCCC1 |r|
O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)nc(nc12)N1CCOCC1 |r|
CN(CCO)c1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r|
O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)nc(nc12)-c1ccccc1 |r|
O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)nc(nc12)-c1cn[nH]c1 |r|
CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r|
C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |c:7|
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1
C1CCC(CC1)c1noc2cnc3[nH]ccc3c12
C1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
C1CCC(CC1)c1n[nH]c2cnc3[nH]ccc3c12
Cn1nc(C2CCCCC2)c2c3cc[nH]c3ncc12
C1CCC(CC1)c1ncc2cnc3[nH]ccc3n12
C1CCC(CC1)c1nnc2cnc3[nH]ccc3n12
Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
C1CCC(CC1)c1cnc2cnc3[nH]ccc3n12
Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1
FC(F)(F)C(=O)NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(CNC4CCS(=O)(=O)C4)cc3)n2n1)C1CC1
CCOc1ccc(cc1)-c1cncc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCc3ccn(n3)-c3ccccc3)n2n1)C1CC1
OCc1cc(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)ccc1O
O=C(Nc1nc2cccc(-c3ccc(CNc4ccccc4CC#N)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)N3CC(COc4ccc(cc4)C#N)C3)n2n1)C1CC1
COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
COc1ccc(cc1)-c1cccc2nc(N)nn12
COc1ccc(cc1)-c1cccc2nc(nn12)N(C)C
COc1ccc(cc1)-c1cccc2nc(NC(=O)C3(C)CC3)nn12
COc1ccc(cc1)-c1cccc2nc(nn12)N(C)C(=O)C1CC1
COc1ccc(cc1)-c1cccc2nc(NS(=O)(=O)C3CC3)nn12
COc1ccc(cc1)-c1cccc2nc(NC(=O)C(C)C)nn12
COc1ccc(cc1)-c1cccc2nc(NC(C)=O)nn12
COc1ccc(cc1)-c1cccc2nc(NC(=O)c3ccccc3)nn12
COc1ccc(cc1)-c1cccc2nc(nn12)N1CCCCC1
COc1ccc(cc1)-c1cccc2nc(NCC3CC3)nn12
CNC(=O)Nc1nc2cccc(-c3ccc(OC)cc3)n2n1
COc1ccc(cc1)-c1cccc2nc(nn12)-c1cccnc1
COc1ccc(cc1)-c1cccc2nc(Nc3ccc(NC(C)=O)cc3)nn12
CCC(=O)Nc1nc2cccc(-c3ccc(OC)cc3)n2n1
O=C(Nc1nc2cccc(-c3ccccc3)n2n1)C1CC1
COc1ccccc1-c1cccc2nc(NC(=O)C3CC3)nn12
Clc1cccc(c1)-c1cccc2nc(NC(=O)C3CC3)nn12
Clc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3cccc4ncccc34)n2n1)C1CC1
COc1ccc(cn1)-c1cccc2nc(NC(=O)C3CC3)nn12
COc1ncc(cn1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3cn[nH]c3)n2n1)C1CC1
COCc1cccc(c1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3cccc(OCc4ccccc4)c3)n2n1)C1CC1
CC(C)(C)OCc1ccccc1-c1cccc2nc(NC(=O)C3CC3)nn12
CCOc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CCOc1ccc(cc1)-c1c(OC)ccc2nc(NC(=O)C3CC3)nn12
CCOc1ccc(cc1)-c1cccn2nc(NC(=O)C3CC3)nc12
CCOc1ccc(cc1)-c1nccc2nc(NC(=O)C3CC3)nn12
C[C@@H](Nc1c(cnn2cccc12)C(N)=O)C(C)(C)C |r|
CC1(C)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
C[C@H](Nc1c(cnn2cccc12)C(N)=O)C(C)(C)C |r|
CC1(C)CCC[C@@H]1Nc1c(cnn2cccc12)C(N)=O |r|
NC(=O)c1cnn2cccc2c1NC1CCCC1
CC1(C)[C@@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
CC1(C)[C@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
C[C@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
C[C@@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
C[C@]1(O)C[C@@H](Nc2c(cnn3cccc23)C(N)=O)C(C)(C)C1 |r|
C[C@@]1(O)C[C@@H](Nc2c(cnn3cccc23)C(N)=O)C(C)(C)C1 |r|
CC1(C)[C@H](N)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
CC1(C)[C@@H](N)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
C[C@@]1(N)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
C[C@]1(O)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
C[C@@]1(O)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
C[C@]1(CO)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
C[C@@]1(CO)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
C[C@@]1(CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O)C#N |r|
C[C@]1(CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O)C#N |r|
C[C@@]1(CCC[C@H]1Nc2c3cccn3ncc2C(=O)N)F
C[C@@]1(F)CCC[C@@H]1Nc1c(cnn2cccc12)C(N)=O |r|
C[C@@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1c[nH]nn1
Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1ccc(cc1)C(O)=O
Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C(O)=O
Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(CCO)nn1
Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O |r|
Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)[C@H]1CCNC[C@@H]1F
CCOP(=O)(CCn1cc(nn1)-c1nc(c(-c2ccncc2)n1C)-c1ccc(F)cc1)OCC
Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(CCP([O-])([O-])=O)nn1
C[C@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccc(F)cc1)c1ccccc1 |r|
CSc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccc(F)cc1
CSc1nccc(n1)-c1c(nc2nc(ccn12)C#C)-c1ccc(F)cc1
[Na+].CSc1nccc(n1)-c1c(nc2nc(ccn12)-c1cn(CC([O-])=O)nn1)-c1ccc(F)cc1
CCOP(=O)(CCn1cc(nn1)-c1ccn2c(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(SC)n1)OCC
[Na+].[Na+].CSc1nccc(n1)-c1c(nc2nc(ccn12)-c1cn(CCP([O-])([O-])=O)nn1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1nc([nH]c1-c1cc[nH]c(=O)c1)-c1ccc(cc1)C#C
OCCn1cc(nn1)-c1ccc(cc1)-c1nc(c([nH]1)-c1cc[nH]c(=O)c1)-c1ccc(F)cc1
CCOC(=O)Cn1cc(nn1)-c1ccc(cc1)-c1nc(c([nH]1)-c1cc[nH]c(=O)c1)-c1ccc(F)cc1
CCOP(=O)(CCn1cc(nn1)-c1ccc(cc1)-c1nc(c([nH]1)-c1cc[nH]c(=O)c1)-c1ccc(F)cc1)OCC
[Na+].[Na+].[O-]P([O-])(=O)CCn1cc(nn1)-c1ccc(cc1)-c1nc(c([nH]1)-c1cc[nH]c(=O)c1)-c1ccc(F)cc1
Oc1ccc(cc1)-c1nc(c([nH]1)-c1cc[nH]c(=O)c1)-c1ccc(F)cc1
[Na+].[O-]C(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1cc[nH]c(=O)c1)-c1ccc(F)cc1
[Na+].Oc1ccc(cc1C([O-])=O)-c1nc(c([nH]1)-c1cc[nH]c(=O)c1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1nc([nH]c1-c1cc[nH]c(=O)c1)C1CCNCC1
[K+].Fc1ccc(cc1)-c1nc([nH]c1-c1cc[nH]c(=O)c1)-c1ccc(cc1)-c1nnn[n-]1
CSc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)cc1)-c1ccc(O)cc1
CSc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)cc1)-c1ccc(cc1)C#C
OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2
CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N
Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
COc1cc(OCCN(C)C)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(cc(cc3c2c1)-c1ccc(Cl)cc1)C(N)=O
CN(C)[C@H]1CCN(C1)C(=O)c1ccc2[nH]c3c(cc(cc3c2c1)-c1ccc(Cl)c(Cl)c1)C(N)=O |r|
COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCN(C)CC1
CN1CCN(CC1)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccc(CN2CCOCC2)c(Cl)c1)C(N)=O
CN1CCN(CC1)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1cccc(Cl)c1)C(N)=O
CN1CCN(CC1)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccccc1)C(N)=O
NC(=O)c1cc(cc2c1[nH]c1cc(ccc21)N1CCOCC1)-c1ccccc1
COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(NC(=O)C4CCOCC4)ccc3c2c1
COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CC[C@@H](C1)N(C)C |r|
COc1ccc(cc1F)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCOCC1
COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCOCC1
NC(=O)c1cc(cc2c1[nH]c1cc(ccc21)C(=O)N1CCOCC1)-c1ccccc1
NC(=O)c1cc(cc2c3CC(CCc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)c(Cl)c1
NC(=O)c1cc(Cc2ccccc2)cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1
Cc1ccc(cn1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)N1CCOCC1
CN1CCN(CC1)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccc2n(C)ncc2c1)C(N)=O
NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)c(Cl)c1
NC(=O)c1cc(cc2c1[nH]c1ccc(cc21)C(=O)N1CCOCC1)-c1ccccc1
COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1
NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)cc1Cl
CCCOc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1
C[C@H]1CN(CC[C@H]1Nc1c(cnc2[nH]ccc12)C(N)=O)c1ccc(cn1)C#N |r|
NC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(C[C@H]1F)c1ccc(cn1)C#N |r|
NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(nn1)C#N
NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1cnc(cn1)C#N
NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(CO)cn1
NC(=O)c1ccc(nc1)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)C(N)=O
NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(cn1)C#N
NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(cc1)C#N
NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)C(=O)CC#N
NC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1
CN1CCC(CC1)Nc1c(cnc2[nH]ccc12)C(N)=O
C[C@@H]1CCCC[C@@H]1Nc1c(cnc2[nH]ccc12)C(N)=O |r|
CS(=O)(=O)N1CCC(CC1)n1c2c(cnc3[nH]ccc23)[nH]c1=O
C[C@@H]1CCN(C[C@@H]1n1c2c3cc[nH]c3ncc2n(C)c1=O)C(=O)CC#N |r|
C[C@@H]1CCN(C[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O)C(=O)CC#N |r|
CN(C1CCCCC1)c1ccnc2[nH]ccc12
O=C(CC#N)N1CCC[C@H](C1)n1c2c(cnc3[nH]ccc23)[nH]c1=O |r|
CS(=O)(=O)N1CCC[C@H](C1)n1c2c(cnc3[nH]ccc23)[nH]c1=O |r|
O=c1[nH]c2cnc3[nH]ccc3c2n1C1CCCCC1
O=c1[nH]c2cnc3[nH]ccc3c2n1C1CCCC1
O=c1[nH]c2cnc3[nH]ccc3c2n1C1CCCCCC1
O=c1[nH]c2cnc3[nH]ccc3c2n1CC1CCCCC1
C[C@@H]1CCCC[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O |r|
C[C@H]1CCCC[C@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O |r|
CC1CCCC(C1)n1c2c(cnc3[nH]ccc23)[nH]c1=O
CC1CCC(CC1)n1c2c(cnc3[nH]ccc23)[nH]c1=O |(-.73,7.46,;-1.14,6.3,;-2.65,6.01,;-3.16,4.55,;-2.16,3.38,;-.64,3.67,;-.13,5.13,;-2.55,1.89,;-1.61,.73,;-2.41,-.59,;-1.66,-1.93,;,-1.91,;.68,-.57,;2.18,-.27,;2.36,1.23,;.98,1.89,;,.73,;-3.93,-.25,;-4.07,1.27,;-5.12,1.92,)|
OC(=O)C(O)=O.CC1(C)CCCCC1n1c2c(cnc3[nH]ccc23)[nH]c1=O
Cl.CC[C@@H]1CCCC[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O |r|
O=c1[nH]c2cnc3[nH]ccc3c2n1C1CCOCC1
CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncncc1-c1cnc2[nH]ccc2n1 |r|
CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(N)ncc1-c1cnc2[nH]ccc2n1 |r|
CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(O)ncc1-c1cnc2[nH]ccc2n1 |r|
CC[C@H](CO)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|
CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CC[C@@H](O)C1 |r|
CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCOCC1 |r|
CN1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|
CS(=O)(=O)N1CCC[C@@H](C1)Nc1nccnc1-c1cnc2[nH]ccc2n1 |r|
CN(C(=O)N[C@H]1CCCN(C1)S(C)(=O)=O)c1cnc2[nH]ccc2n1 |r|
O=C(NC1CCCCC1)Nc1cnc2[nH]ccc2n1
FC(F)(F)CN1CCCC(C1)NC(=O)Nc1cnc2[nH]ccc2n1
CS(=O)(=O)N1CCCC(C1)NC(=O)Nc1cnc2[nH]ccc2n1
CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)Nc1cnc2[nH]ccc2n1 |r|
CCCS(=O)(=O)N1CCC[C@@H](C1)NC(=O)Nc1cnc2[nH]ccc2n1 |r|
CC(C)(C)CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)Nc1cnc2[nH]ccc2n1 |r|
CC(C)CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)Nc2cnc3c(n2)cc[nH]3
CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@@H](C1)NC(=O)Nc1cnc2[nH]ccc2n1 |r|
CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|
CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|
O=S(=O)(CC#N)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|
CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|
COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCc3ccccn3)nc2cc1O
COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O
COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(N)cc1O
COc1cc(ccc1OCC(O)=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O
O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(c1)-c1c[nH]c(=O)[nH]c1=O
COc1ccc(cc1-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(c2)-c2c[nH]c(=O)[nH]c2=O)cc1
COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)nc2cc1O
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCO
[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCn3cc(Nc4ncc(Cl)c(NCc5cccc(NC(=O)C=C)c5)n4)cn3)[C@@]1([H])NC(=O)N2 |r|
OCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
COCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Fc1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc(F)c1N1CCOCC1
Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(NC(=O)C=C)c1
CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl
c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F
C(C1CO1)n1cc(nn1)-c1ncnc2[nH]ccc12
CCn1c(cc2c1nc(NC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5
CCn1c(cc2c1nc(NC(=O)OCCOC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
CCn1c(cc2c1nc(NC(=O)NCCOC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
CCn1c(cc2c1nc(Nc1nccs1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
CCn1c(cc2c1nc(Nc1nc(C)cs1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
CCn1c(cc2c1nc(Nc1ncc(C)s1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6
CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6
CCn1c(cc2c1nc(Nc1cc(C)[nH]n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
CCn1c(cc2c1nc(Nc1cc(C)nn1C)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
CCn1nc(Nc2nc3n(CC)c(cc3c3n(C)cnc23)C(=O)N(C2CC2)C2CC2)cc1C
CCn1c(cc2c1nc(Nc1nc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
CCn1c(cc2c1nc(Nc1nc(C)c(s1)C(=O)N1CCS(=O)(=O)CC1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
CCn1c(cc2c1nc(Nc1nc(C)c(s1)S(C)(=O)=O)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
CCn1c(cc2c1nc(Nc1nc(C(=O)NC)c(C)s1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
CCn1c(cc2c1nc(Nc1nc(C)c(s1)C(=O)NC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
CCc1nc(Nc2nc3n(CC)c(cc3c3n(C)cnc23)C(=O)N(C2CC2)C2CC2)sc1C
NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
CC(C)(C)c1nc2c([nH]1)c1cc[nH]c(=O)c1c1cc(F)ccc21
CC(C)c1ccc(cc1)-c1nc2cc(ccc2n1CCN)C(N)=O
Cc1ccc(cc1)-c1nc2cc(ccc2n1CCN)C(N)=O
NCCn1c(nc2cc(ccc12)C(N)=O)-c1ccc(cc1)C#N
NCCn1c(Cc2ccccc2)nc2cc(ccc12)C(N)=O
NCCn1c(nc2cc(ccc12)C(N)=O)-c1ccccc1
NCCn1c(nc2cc(ccc12)C(N)=O)C1CCCCC1
NCCCc1nc2cc(ccc2n1CCN)C(N)=O
NCCc1nc2cc(ccc2n1CCN)C(N)=O
NCCCn1c(nc2cc(ccc12)C(N)=O)-c1ccccc1
NCCCn1c(CCN)nc2cc(ccc12)C(N)=O
NC(=O)c1cnc2[nH]ccc2c1N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 |r,TLB:17:16:23:13.18.19,THB:22:16:13:23.20.19|
NCCn1c(nc2cc(ccc12)C(N)=O)-c1ccc(cc1)C(F)(F)F
NCCn1c(nc2cc(ccc12)C(N)=O)-c1ccc(O)cc1
NCCn1c(nc2cc(ccc12)C(N)=O)-c1ccc(O)cc1O
NCCn1c(nc2cc(ccc12)C(N)=O)-c1ccncc1
NCCn1c(nc2cc(ccc12)C(N)=O)-c1cccnc1N
NCCn1c(nc2cc(ccc12)C(N)=O)-c1cncnc1
COc1ccc(cc1)-c1nc2c(NCC3CCNCC3)c(Cl)cnc2[nH]1
COc1ccc(cc1OC)-c1nc2c(NCC3CCNCC3)c(Cl)cnc2[nH]1
COc1ccc(-c2nc3c(NCC4CCNCC4)c(Cl)cnc3[nH]2)c(F)c1
COc1ccc(-c2nc3c(NCC4CCNCC4)c(Cl)cnc3[nH]2)c(C)c1
COc1ccc(F)c(c1)-c1nc2c(NCC3CCNCC3)c(Cl)cnc2[nH]1
COc1cc(F)c(cc1F)-c1nc2c(NCC3CCNCC3)c(Cl)cnc2[nH]1
COc1cc(F)c(cc1OC)-c1nc2c(NCC3CCNCC3)c(Cl)cnc2[nH]1
COc1ccc(cc1)-c1nc2c(NCC3CCN(C)CC3)c(cnc2[nH]1)C(N)=O
COc1ccc(cc1)-c1nc2c(NCC3CCN(C)CC3)c(cnc2[nH]1)C#N
COc1ccc(cc1)-c1nc2c(NCC3CCNCC3)ccnc2[nH]1
COc1ccc(cc1)-c1nc2c(NCC3CCN(C)CC3)c(Br)cnc2[nH]1
COc1ccc(cc1)-c1nc2c(NCC3CCNC3)c(Cl)cnc2[nH]1
COc1ccc(cc1)-c1nc2c(N(C)CC3CCNCC3)c(Cl)cnc2[nH]1
COc1ccc(cc1)-c1nc2c(NCC3CCCNC3)c(Cl)cnc2[nH]1
COCCN1CCC(CNc2c(Cl)cnc3[nH]c(nc23)-c2ccc(OC)cc2)CC1
COc1ccc(cc1)-c1nc2c(OCC3CCNCC3)c(Cl)cnc2[nH]1
COc1ccc(cc1)-c1nc2c(NC3CCN(CC3)C(C)=O)c(Cl)cnc2[nH]1
COc1ccc(cc1)-c1nc2c(NC3CCN(C)CC3)c(Cl)cnc2[nH]1
COCCNc1c(Cl)cnc2[nH]c(nc12)-c1ccc(OC)cc1
COc1ccc(cc1)-c1nc2c(NCCO)c(Cl)cnc2[nH]1
CNc1c(Cl)cnc2[nH]c(nc12)-c1ccc(OC)cc1
COc1ccc(F)c(c1)-c1nc2c(NCC3CCN(C)CC3)c(Cl)cnc2[nH]1
COc1ccc(-c2nc3c(NCC4CCN(C)CC4)c(Cl)cnc3[nH]2)c(C)c1
COc1ccc(cc1OC)-c1nc2c(NCC3CCN(C)CC3)c(Cl)cnc2[nH]1
CN1CCC(CNc2c(Cl)cnc3[nH]c(nc23)-c2cccc(c2)S(C)(=O)=O)CC1
CN1CCC(CNc2c(Cl)cnc3[nH]c(nc23)-c2ccc(cc2)S(C)(=O)=O)CC1
CN1CCC(CNc2c(Cl)cnc3[nH]c(nc23)-c2cccc(F)c2)CC1
COc1ccccc1-c1nc2c(NCC3CCN(C)CC3)c(Cl)cnc2[nH]1
COc1cccc(c1)-c1nc2c(NCC3CCN(C)CC3)c(Cl)cnc2[nH]1
COc1ccc(cc1)-c1nc2c(NCC3CCN(C)CC3)c(Cl)cnc2[nH]1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O |r|
CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
CC(C)[C@H](C)n1cc(-c2cc(C3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
CC(C)[C@H](C)n1cc(-c2cc(N3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
CC(C)[C@H](C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O |r|
CC(C)[C@@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r|
CC(C)[C@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r|
CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O
CCC(C(C)C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
CC(C)Cn1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
CCC(C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
CC(C)C(C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Cc1ccccc1N2C=C(c3c(c(n[nH]3)N)C2=O)c4ccn(n4)C
Cc1ccccc1-n1cc(-c2ccccc2)c2[nH]nc(N)c2c1=O
Nc1n[nH]c2c(cn(-c3ccccc3Cl)c(=O)c12)-c1ccccn1
Cn1ccc(n1)-c1cn(-c2ccccc2Cl)c(=O)c2c(N)n[nH]c12
Nc1n[nH]c2ccn(-c3ccccc3Cl)c(=O)c12
Nc1n[nH]c2ccc(cc12)-c1ccccc1Cl
OC(=O)Cc1cnc(Nc2n[nH]c3ccc(cc23)-c2ncccc2Cl)s1
CC(C)(C)OC(=O)NCC(C)(CN)CNc1cc[nH]c(=O)c1-c1nc2CCCCc2[nH]1
CC(C)(CNC(=O)OC(C)(C)C)CNc1cc[nH]c(=O)c1-c1nc2CCCCc2[nH]1
N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2CC(CCc2[nH]1)C(O)=O |r,wD:4.7,1.0,(6.49,7.98,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-3.72,-1.53,;-4.78,-.91,;-3.72,-2.76,)|
COC(=O)C1CCc2[nH]c(nc2C1)-c1c(N[C@@H]2CC[C@H](N)CC2)cc[nH]c1=O |r,wD:16.17,19.21,(-4.79,-3.68,;-3.72,-3.07,;-3.72,-1.53,;-4.78,-.91,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;4.2,.03,;4.85,1.43,;3.98,2.69,;4.64,4.09,;3.76,5.35,;4.42,6.74,;5.96,6.87,;6.49,7.98,;6.83,5.6,;6.17,4.21,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,)|
N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2CC(CCc2[nH]1)C(F)F |r,wD:4.7,1.0,(6.49,7.98,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-3.72,-1.53,;-3.72,-2.76,;-4.78,-.91,)|
N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2CCCCc2[nH]1 |r,wD:4.7,1.0,(6.49,7.98,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,)|
Cc1[nH]c(nc1-c1cnn(C)c1)-c1c(N[C@@H]2CC[C@H](N)CC2)cc[nH]c1=O |r,wU:15.16,18.20,(1.49,6.43,;.77,5.43,;1.24,3.97,;,3.08,;-1.25,3.96,;-.77,5.43,;-1.68,6.67,;-3.2,6.53,;-3.79,7.95,;-2.62,8.95,;-2.72,10.18,;-1.31,8.15,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-6.67,-.78,;-7.73,-1.4,;-5.33,-1.55,;-4,-.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;2.4,1.39,)|
Cc1[nH]c(nc1-c1ccccc1)-c1c(N[C@@H]2CC[C@H](N)CC2)cc[nH]c1=O |r,wU:15.16,18.20,(1.49,6.43,;.77,5.43,;1.24,3.97,;,3.08,;-1.25,3.96,;-.77,5.43,;-1.68,6.67,;-1.17,8.12,;-2.16,9.29,;-3.68,9.01,;-4.2,7.56,;-3.2,6.39,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-6.67,-.78,;-7.73,-1.4,;-5.33,-1.55,;-4,-.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;2.4,1.39,)|
CNC(=O)c1c[nH]c(n1)-c1c(N[C@@H]2CC[C@H](N)CC2)cc[nH]c1=O |r,wU:12.12,15.16,(-3.94,7.5,;-3.21,6.5,;-1.68,6.67,;-1.19,7.8,;-.77,5.43,;.77,5.43,;1.24,3.97,;,3.08,;-1.25,3.96,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-6.67,-.78,;-7.73,-1.4,;-5.33,-1.55,;-4,-.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;2.4,1.39,)|
COCCN[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1 |r,wD:8.11,5.4,(6.05,13.3,;5.53,12.19,;6.4,10.92,;5.74,9.53,;6.62,8.26,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,)|
FC(F)(F)CN[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1 |r,wD:9.12,6.5,(5.7,11.93,;6.4,10.92,;7.63,11.02,;6.93,12.03,;5.74,9.53,;6.62,8.26,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,)|
FC(F)CN[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1 |r,wD:8.11,5.4,(5.7,11.93,;6.4,10.92,;7.63,11.02,;5.74,9.53,;6.62,8.26,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,)|
FCCN[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1 |r,wD:7.10,4.3,(5.7,11.93,;6.4,10.92,;5.74,9.53,;6.62,8.26,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,)|
c1ccc2c(c1)[nH]c(n2)C3=C(C=CNC3=O)NC4CCC(CC4)N
CCN[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1 |r,wD:6.9,3.2,(6.27,10.64,;5.74,9.53,;6.62,8.26,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,)|
N[C@H]1CC[C@@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1 |r,wU:1.0,wD:4.7,(6.49,7.98,;5.96,6.87,;6.83,5.6,;6.17,4.21,;4.64,4.09,;3.76,5.35,;4.42,6.74,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,)|
N[C@@H]1CC[C@@H](C1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1 |r|
O=c1[nH]ccc(NC2CCCNC2)c1-c1nc2ccccc2[nH]1
O=c1[nH]ccc(NC2CCNCC2)c1-c1nc2ccccc2[nH]1
O=C(Nc1ccccc1)N1CCC(CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1
O=c1[nH]ccc(NC2CCN(Cc3ccccc3)CC2)c1-c1nc2ccccc2[nH]1
CC(=O)N1CCC(CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1
O=c1[nH]ccc(NC2CCOCC2)c1-c1nc2ccccc2[nH]1
CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2CCOCC2)cc1
[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
CC1(C)CC[C@@H](COc2cccc(c2)-c2cn([C@@H]3C[C@H](CN4CCC4)C3)c3ncnc(N)c23)O1 |r,wU:5.5,wD:17.17,19.20,(-1.8,11.77,;-1.51,10.57,;-2.39,9.7,;-.3,11.52,;.98,10.66,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.56,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;-.98,9.12,)|
CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccccc4OC
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|
CNc1nc(Nc2cnn(c2)C(CC(N)=O)C2CCCCC2)ncc1C(F)(F)F
CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F
NCCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
CNCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
NCCCn1c(nc2cc(ccc12)C(N)=O)[C@H]1CC[C@H](O)CC1 |r,wU:16.17,wD:19.21,(5.43,4.73,;4.23,4.48,;3.75,3.01,;2.24,2.7,;1.76,1.23,;2.66,.02,;1.76,-1.23,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,-1.53,;-3.73,-2.76,;-4.78,-.9,;4.2,.03,;4.85,1.42,;6.39,1.55,;7.26,.28,;8.49,.39,;6.6,-1.11,;5.07,-1.23,)|
CNCCn1c(nc2cc(ccc12)C(N)=O)[C@H]1CC[C@H](O)CC1 |r,wU:16.17,wD:19.21,(5.43,4.73,;4.23,4.48,;3.75,3.01,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,-1.53,;-3.73,-2.76,;-4.78,-.9,;4.2,.03,;4.85,1.43,;6.39,1.55,;7.26,.28,;8.49,.39,;6.61,-1.11,;5.07,-1.23,)|
C[C@@H](O)Cn1c(nc2cc(ccc12)C(N)=O)[C@H]1CC[C@H](O)CC1 |r,wU:16.17,wD:19.21,1.1,(4.57,2.1,;3.75,3.01,;4.13,4.18,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,-1.53,;-3.73,-2.76,;-4.78,-.9,;4.2,.03,;4.85,1.43,;6.39,1.55,;7.26,.28,;8.49,.39,;6.61,-1.11,;5.07,-1.23,)|
NC(=O)c1ccc2n(CCCO)c(nc2c1)[C@H]1CC[C@H](O)CC1 |r,wU:16.17,wD:19.21,(-3.73,-2.76,;-3.72,-1.53,;-4.78,-.9,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.23,;2.24,2.7,;3.75,3.01,;4.23,4.48,;5.43,4.73,;2.66,.02,;1.76,-1.23,;.3,-.77,;-1.03,-1.55,;4.2,.03,;4.85,1.42,;6.39,1.55,;7.26,.28,;8.49,.39,;6.6,-1.11,;5.07,-1.23,)|
NC(=O)c1ccc2n(CCO)c(nc2c1)[C@H]1CC[C@H](O)CC1 |r,wU:15.16,wD:18.20,(-3.73,-2.76,;-3.72,-1.53,;-4.78,-.9,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.13,4.18,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;4.2,.03,;4.85,1.43,;6.39,1.55,;7.26,.28,;8.49,.39,;6.61,-1.11,;5.07,-1.23,)|
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
Nc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
COc1cc(Nc2nc3cccc(-c4ccccn4)c3o2)cc(OC)c1OC
COc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC
COc1cc(Nc2nc3cccc(-c4cccc(Cl)c4)c3o2)cc(OC)c1OC
COc1ccc(cc1)-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
COc1cc(Nc2nc3cccc(-c4ccc5ncccc5c4)c3o2)cc(OC)c1OC
COc1cc(Nc2nc3cccc(-c4cccc(NS(C)(=O)=O)c4)c3o2)cc(OC)c1OC
COc1cc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)c3o2)cc(OC)c1OC
COc1cc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc(OC)c1OC
COc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)c3o2)cc(OC)c1OC
COc1cc(Nc2nc3cccc(-c4ccc(CN5CCOCC5)cc4)c3o2)cc(OC)c1OC
CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc1
CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc1C
CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(C)c4)c3o2)cc1
CN(C)CCCNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
CNS(=O)(=O)c1ccc(cc1)-c1cccc2ncc(nc12)-c1cc(OC)c(OC)c(OC)c1
COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2cc(C)cc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2cc(F)cc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(cc3)C(=O)N3CCOCC3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(C)c3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(C(=O)N4CCOCC4)c(C)c3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3C)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3F)c2n1
CN1CCN(CC1)C(=O)c1ccc(cc1C)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1
Cc1cc(ccc1CN1CCOCC1)-c1cccc2ncc(nc12)-c1ccc(C(=O)N2CCOCC2)c(C)c1
Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1
Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1
CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1
CN1CCN(CC1)c1ccc(cn1)-c1cnc2cccc(-c3cc(F)c(CN4CCS(=O)(=O)CC4)c(F)c3)c2n1
Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1
CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1ccc(cc1)N1CCN(C)CC1
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CO |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)Nc1cc(C)ns1 |r|
CN(C1CCCCCC1)c1ncnc2[nH]ccc12
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC(F)(F)F |r|
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCC(=O)C1
CN(C1CCCCC1)c1ncnc2[nH]ccc12
C1CN(C2CCCCC12)c1ncnc2[nH]ccc12
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC1CC1 |r|
CN(C1CCCCCCC1)c1ncnc2[nH]ccc12
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)S(=O)(=O)CC(F)(F)F |r|
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCN(Cc2ccccc2)C1=O
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C(C)(C)C#N
C1CCC2C(C1)N(c1ccccc21)c1ncnc2[nH]ccc12
C1CCN(CC1)c1ncnc2[nH]ccc12
CC1CCC(C)N1c1ncnc2[nH]ccc12
C[C@@H]1CCN(Cc2cccc(F)c2F)C[C@@H]1N(C)c1ncnc2[nH]ccc12 |r|
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)c1ccsc1
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCOC1
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)CS(C)(=O)=O
CC(C#N)C(=O)N1CCC(C)C(C1)N(C)c1ncnc2[nH]ccc12
CN(C1CCCC1)c1ncnc2[nH]ccc12
CC1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |(4.28,-4.47,;2.95,-5.24,;2.94,-6.78,;1.62,-7.55,;.28,-6.79,;.27,-5.24,;1.61,-4.47,;-1.05,-7.56,;-2.38,-6.79,;-1.05,-9.1,;-2.37,-9.87,;-2.37,-11.41,;-1.04,-12.18,;.29,-11.41,;1.77,-11.89,;2.68,-10.63,;1.77,-9.38,;.29,-9.86,)|
COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)n1C
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1 |r|
Fc1ccc2c3[nH]c(nc3c3cc[nH]c(=O)c3c2c1)-c1ccccc1Cl
NC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)N1CCOCC1
CNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)N1CCOCC1
CCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)N1CCOCC1
Nc1ncc(C(=O)Nc2ccccc2)c2sc(cc12)-c1ccc(cc1)N1CCOCC1
Nc1ncc(C(=O)NCc2ccccc2)c2sc(cc12)-c1ccc(cc1)N1CCOCC1
CC(C)(C)NC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)N1CCOCC1
CN(C)C(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)N1CCOCC1
CNC(=O)c1cnc(N)c2cc(sc12)-c1ccccc1
CNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(C)cc1
CNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)C(C)(C)C
CNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(OC(F)(F)F)cc1
CNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)C(C)(C)C#N
CNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C
CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1cc2c(N)ncc(C(=O)NCCO)c2s1
COCCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C
CN(C)CCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C
CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1cc2c(N)ncc(C(=O)NCCN3CCCCC3)c2s1
CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1cc2c(N)ncc(C(=O)NCCN3CCOCC3)c2s1
CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1cc2c(N)ncc(C(=O)NCCCN3CCOCC3)c2s1
Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CCCC4
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)N1CC[C@H](C1)S(=O)(=O)c1cccc(O)c1 |r|
Oc1cccc(c1)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
CC(C)c1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
COc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(=O)NC
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(=O)N(C)C
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(=O)Nc1ccc(C)nc1
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(C)=O
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)S(C)(=O)=O
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc3ccccc3)Cc2[nH]1
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
CCCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(N)=O
CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(C)Cc2[nH]1
CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](CC)N3CCN(C)CC3)cccc12 |r|
COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1ccccc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(4.65,-10.97,;5.99,-11.74,;7.32,-10.96,;7.71,-9.46,;9.2,-9.86,;8.81,-11.35,;10.53,-9.08,;11.86,-9.85,;12.62,-11.18,;11.09,-11.17,;13.2,-9.08,;14.53,-9.85,;15.86,-9.08,;15.86,-7.53,;14.51,-6.77,;13.19,-7.55,;5.99,-13.28,;4.66,-14.05,;4.66,-15.59,;6,-16.36,;7.34,-15.58,;8.81,-16.05,;9.71,-14.8,;8.79,-13.55,;7.33,-14.04,)|
CCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:8.10,6.5,(13.65,-10.72,;12.32,-9.95,;10.98,-10.72,;11.74,-12.05,;10.21,-12.04,;9.65,-9.96,;8.32,-10.73,;6.83,-10.34,;6.44,-11.83,;7.93,-12.22,;5.11,-12.61,;3.77,-11.84,;5.11,-14.15,;3.78,-14.92,;3.78,-16.46,;5.12,-17.23,;6.46,-16.45,;7.93,-16.92,;8.83,-15.67,;7.91,-14.42,;6.45,-14.91,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)Cc1ccccc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.11,-10.73,;7.45,-11.49,;8.78,-10.72,;9.17,-9.22,;10.66,-9.62,;10.27,-11.11,;11.99,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;14.66,-8.84,;15.99,-9.61,;15.98,-11.15,;17.31,-11.92,;18.65,-11.15,;18.65,-9.6,;17.32,-8.84,;7.45,-13.03,;6.13,-13.81,;6.12,-15.35,;7.46,-16.12,;8.8,-15.34,;10.27,-15.81,;11.17,-14.56,;10.25,-13.31,;8.79,-13.8,)|
CCNS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:9.11,7.6,(17.33,-8.84,;15.99,-9.61,;14.66,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;11.99,-8.84,;10.66,-9.62,;9.17,-9.22,;8.78,-10.72,;10.27,-11.11,;7.45,-11.49,;6.11,-10.73,;7.45,-13.03,;6.13,-13.81,;6.12,-15.35,;7.46,-16.12,;8.8,-15.34,;10.27,-15.81,;11.17,-14.56,;10.25,-13.31,;8.79,-13.8,)|
CCCNS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(18.66,-9.61,;17.33,-8.84,;15.99,-9.61,;14.66,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;11.99,-8.84,;10.66,-9.62,;9.17,-9.22,;8.78,-10.72,;10.27,-11.11,;7.45,-11.49,;6.11,-10.73,;7.45,-13.03,;6.13,-13.81,;6.12,-15.35,;7.46,-16.12,;8.8,-15.34,;10.27,-15.81,;11.17,-14.56,;10.25,-13.31,;8.79,-13.8,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)NCCCC#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.11,-10.73,;7.45,-11.49,;8.78,-10.72,;9.17,-9.22,;10.66,-9.62,;10.27,-11.11,;11.99,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;14.66,-8.84,;15.99,-9.61,;17.33,-8.84,;18.66,-9.61,;20,-8.85,;21.33,-8.08,;7.45,-13.03,;6.13,-13.81,;6.12,-15.35,;7.46,-16.12,;8.8,-15.34,;10.27,-15.81,;11.17,-14.56,;10.25,-13.31,;8.79,-13.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)C2CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(6.1,-10.71,;7.44,-11.48,;8.77,-10.7,;9.16,-9.21,;10.65,-9.6,;11.97,-8.83,;13.3,-9.59,;14.06,-10.92,;12.53,-10.91,;14.64,-8.82,;16.18,-8.82,;15.41,-7.49,;10.25,-11.09,;7.44,-13.01,;6.12,-13.78,;6.11,-15.32,;7.45,-16.09,;8.78,-15.32,;10.25,-15.78,;11.15,-14.53,;10.24,-13.29,;8.78,-13.78,)|
CCCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:9.11,7.6,(17.33,-8.84,;15.99,-9.61,;14.66,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;11.99,-8.84,;10.66,-9.62,;9.17,-9.22,;8.78,-10.72,;10.27,-11.11,;7.45,-11.49,;6.11,-10.73,;7.45,-13.03,;6.13,-13.81,;6.12,-15.35,;7.46,-16.12,;8.8,-15.34,;10.27,-15.81,;11.17,-14.56,;10.25,-13.31,;8.79,-13.8,)|
CCNS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:9.11,7.6,(17.56,-10.65,;16.23,-11.42,;14.89,-10.65,;13.56,-11.42,;14.32,-12.75,;12.79,-12.74,;12.23,-10.66,;10.9,-11.43,;9.41,-11.04,;9.01,-12.53,;10.5,-12.92,;7.68,-13.31,;6.35,-12.54,;7.69,-14.85,;6.36,-15.62,;6.36,-17.16,;7.69,-17.93,;9.03,-17.15,;10.5,-17.62,;11.4,-16.37,;10.49,-15.13,;9.02,-15.61,)|
CCCNS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(18.89,-11.43,;17.56,-10.65,;16.23,-11.42,;14.89,-10.65,;13.56,-11.42,;14.32,-12.75,;12.79,-12.74,;12.23,-10.66,;10.9,-11.43,;9.41,-11.04,;9.01,-12.53,;10.5,-12.92,;7.68,-13.31,;6.35,-12.54,;7.69,-14.85,;6.36,-15.62,;6.36,-17.16,;7.69,-17.93,;9.03,-17.15,;10.5,-17.62,;11.4,-16.37,;10.49,-15.13,;9.02,-15.61,)|
CCCCNS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(20.23,-10.66,;18.89,-11.43,;17.56,-10.65,;16.23,-11.42,;14.89,-10.65,;13.56,-11.42,;14.32,-12.75,;12.79,-12.74,;12.23,-10.66,;10.9,-11.43,;9.41,-11.04,;9.01,-12.53,;10.5,-12.92,;7.68,-13.31,;6.35,-12.54,;7.69,-14.85,;6.36,-15.62,;6.36,-17.16,;7.69,-17.93,;9.03,-17.15,;10.5,-17.62,;11.4,-16.37,;10.49,-15.13,;9.02,-15.61,)|
CCCS(=O)(=O)N[C@H]1C[C@@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:7.6,wD:9.11,(18.67,-11.52,;17.33,-12.28,;16,-11.51,;14.66,-12.28,;15.42,-13.61,;13.89,-13.61,;13.33,-11.52,;12,-12.29,;11.61,-13.78,;10.12,-13.4,;10.51,-11.9,;8.79,-14.17,;7.45,-13.4,;8.79,-15.71,;7.46,-16.48,;7.46,-18.02,;8.8,-18.8,;10.14,-18.02,;11.61,-18.48,;12.51,-17.23,;11.59,-15.99,;10.13,-16.47,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(5.58,-12.63,;6.92,-13.39,;8.25,-12.62,;8.64,-11.13,;10.12,-11.52,;9.73,-13.01,;11.45,-10.75,;12.78,-11.51,;13.54,-12.83,;12.01,-12.83,;14.12,-10.74,;15.66,-10.74,;14.89,-9.4,;6.92,-14.93,;5.6,-15.7,;5.59,-17.24,;6.93,-18.01,;8.26,-17.23,;9.73,-17.7,;10.63,-16.45,;9.72,-15.21,;8.25,-15.69,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1CCC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(5.93,-12.31,;7.26,-13.07,;8.6,-12.3,;8.99,-10.8,;10.48,-11.2,;10.08,-12.69,;11.81,-10.42,;13.14,-11.19,;13.9,-12.52,;12.37,-12.51,;14.48,-10.42,;15.81,-11.19,;16.2,-12.67,;17.69,-12.28,;17.29,-10.79,;7.27,-14.61,;5.94,-15.39,;5.94,-16.93,;7.27,-17.7,;8.61,-16.92,;10.08,-17.39,;10.98,-16.14,;10.07,-14.89,;8.6,-15.38,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(7.09,-13.36,;8.42,-14.12,;9.75,-13.35,;10.15,-11.85,;11.64,-12.25,;11.24,-13.74,;12.97,-11.47,;14.3,-12.23,;15.06,-13.56,;13.52,-13.56,;15.63,-11.46,;16.97,-12.24,;18.3,-11.47,;19.63,-12.24,;18.3,-9.93,;19.63,-10.69,;8.43,-15.66,;7.1,-16.43,;7.1,-17.98,;8.43,-18.75,;9.77,-17.97,;11.24,-18.44,;12.14,-17.18,;11.23,-15.94,;9.76,-16.43,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCCC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.04,-12.03,;7.37,-12.79,;8.7,-12.02,;9.1,-10.52,;10.58,-10.92,;10.19,-12.41,;11.92,-10.14,;13.24,-10.9,;14.01,-12.23,;12.47,-12.23,;14.58,-10.13,;15.92,-10.91,;17.25,-10.14,;18.58,-10.91,;19.92,-10.14,;18.58,-12.45,;19.91,-11.68,;7.38,-14.33,;6.05,-15.1,;6.05,-16.65,;7.38,-17.42,;8.72,-16.64,;10.19,-17.11,;11.09,-15.85,;10.18,-14.61,;8.71,-15.1,)|
COCCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(20.38,-8.92,;19.05,-9.69,;17.72,-8.92,;16.38,-9.69,;15.05,-8.91,;13.71,-9.68,;14.47,-11.01,;12.94,-11.01,;12.38,-8.92,;11.05,-9.7,;9.56,-9.3,;9.17,-10.8,;10.66,-11.18,;7.84,-11.57,;6.5,-10.81,;7.84,-13.11,;6.51,-13.88,;6.51,-15.43,;7.85,-16.2,;9.19,-15.42,;10.66,-15.89,;11.56,-14.63,;10.64,-13.39,;9.18,-13.88,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCCC#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.15,-11.79,;7.49,-12.56,;8.82,-11.79,;9.21,-10.29,;10.7,-10.68,;10.31,-12.17,;12.03,-9.91,;13.36,-10.67,;14.12,-12,;12.59,-12,;14.7,-9.9,;16.03,-10.67,;17.37,-9.91,;18.7,-10.68,;20.03,-11.45,;7.49,-14.1,;6.17,-14.87,;6.16,-16.42,;7.5,-17.19,;8.84,-16.41,;10.31,-16.87,;11.21,-15.62,;10.29,-14.38,;8.83,-14.86,)|
CCN(C)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(14.58,-6.2,;13.25,-6.97,;13.25,-8.51,;14.58,-9.28,;11.91,-9.28,;12.67,-10.61,;11.14,-10.6,;10.58,-8.52,;9.25,-9.29,;7.76,-8.9,;7.37,-10.39,;8.85,-10.78,;6.03,-11.17,;4.7,-10.4,;6.04,-12.71,;4.71,-13.48,;4.71,-15.02,;6.04,-15.79,;7.38,-15.01,;8.85,-15.48,;9.75,-14.23,;8.84,-12.99,;7.37,-13.47,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N(C)C1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(5.8,-11.92,;7.14,-12.68,;8.47,-11.91,;8.86,-10.41,;10.35,-10.81,;9.96,-12.3,;11.68,-10.03,;13.01,-10.8,;13.77,-12.13,;12.24,-12.12,;14.35,-10.03,;15.68,-10.8,;14.35,-8.49,;15.13,-7.16,;13.59,-7.16,;7.14,-14.22,;5.81,-15,;5.81,-16.54,;7.15,-17.31,;8.49,-16.53,;9.96,-17,;10.86,-15.75,;9.94,-14.5,;8.48,-14.99,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CCCCC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.14,-13.71,;7.47,-14.47,;8.8,-13.7,;9.19,-12.21,;10.68,-12.6,;10.28,-14.09,;12.01,-11.83,;13.33,-12.59,;14.09,-13.91,;12.56,-13.91,;14.67,-11.82,;16.01,-12.6,;17.34,-11.84,;17.35,-10.3,;16.02,-9.52,;14.67,-10.28,;7.47,-16.01,;6.15,-16.78,;6.15,-18.32,;7.48,-19.09,;8.82,-18.31,;10.28,-18.78,;11.18,-17.53,;10.27,-16.29,;8.81,-16.77,)|
CN(CC1CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.15,10.10,(14.93,-10.76,;14.93,-12.3,;16.27,-13.08,;17.6,-12.32,;19.14,-12.32,;18.38,-10.98,;13.59,-13.07,;14.35,-14.4,;12.82,-14.39,;12.26,-12.31,;10.93,-13.08,;9.44,-12.69,;9.05,-14.18,;10.53,-14.57,;7.72,-14.96,;6.38,-14.19,;7.72,-16.5,;6.39,-17.27,;6.39,-18.81,;7.72,-19.58,;9.06,-18.8,;10.53,-19.27,;11.43,-18.02,;10.52,-16.78,;9.06,-17.26,)|
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCCC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(7.12,-14.17,;8.45,-14.94,;9.78,-14.17,;10.18,-12.67,;11.66,-13.06,;12.99,-12.29,;14.32,-13.05,;15.08,-14.38,;13.55,-14.37,;15.65,-12.28,;17.06,-12.91,;18.09,-11.77,;17.32,-10.43,;15.82,-10.75,;11.27,-14.55,;8.46,-16.48,;7.13,-17.24,;7.13,-18.79,;8.46,-19.56,;9.8,-18.78,;11.27,-19.24,;12.17,-17.99,;11.25,-16.75,;9.79,-17.24,)|
CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(F)cc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.1,-10.71,;7.44,-11.48,;8.77,-10.7,;9.16,-9.21,;10.65,-9.6,;10.25,-11.09,;11.98,-8.83,;13.3,-9.59,;14.06,-10.92,;12.53,-10.91,;14.64,-8.82,;15.97,-9.6,;17.31,-8.83,;17.31,-7.29,;18.64,-6.52,;15.97,-6.52,;14.64,-7.29,;7.44,-13.01,;6.12,-13.78,;6.11,-15.33,;7.45,-16.1,;8.79,-15.32,;10.25,-15.78,;11.15,-14.53,;10.24,-13.29,;8.78,-13.78,)|
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)NC1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.11,-10.73,;7.45,-11.49,;8.78,-10.72,;9.17,-9.22,;10.66,-9.62,;10.27,-11.11,;11.99,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;14.66,-8.84,;15.99,-9.61,;16.76,-10.94,;17.54,-9.61,;7.45,-13.03,;6.13,-13.81,;6.12,-15.35,;7.46,-16.12,;8.8,-15.34,;10.27,-15.81,;11.17,-14.56,;10.25,-13.31,;8.79,-13.8,)|
CCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:8.10,6.5,(15.99,-9.61,;14.66,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;11.99,-8.84,;10.66,-9.62,;9.17,-9.22,;8.78,-10.72,;10.27,-11.11,;7.45,-11.49,;6.11,-10.73,;7.45,-13.03,;6.13,-13.81,;6.12,-15.35,;7.46,-16.12,;8.8,-15.34,;10.27,-15.81,;11.17,-14.56,;10.25,-13.31,;8.79,-13.8,)|
CN([C@@H]1C[C@H](CS(=O)(=O)NCC2CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(6.35,-12.54,;7.68,-13.31,;9.01,-12.53,;9.41,-11.04,;10.9,-11.43,;12.23,-10.66,;13.56,-11.42,;14.32,-12.75,;12.79,-12.74,;14.89,-10.65,;16.23,-11.42,;17.56,-10.65,;19.1,-10.65,;18.33,-9.31,;10.5,-12.92,;7.69,-14.85,;6.36,-15.62,;6.36,-17.16,;7.69,-17.93,;9.03,-17.15,;10.5,-17.62,;11.4,-16.37,;10.49,-15.13,;9.02,-15.61,)|
CCCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(18.14,-11.53,;16.81,-10.76,;15.47,-11.53,;14.14,-10.76,;12.8,-11.53,;13.56,-12.86,;12.03,-12.85,;11.47,-10.77,;10.14,-11.54,;8.65,-11.14,;8.26,-12.64,;9.75,-13.03,;6.93,-13.42,;5.59,-12.65,;6.93,-14.96,;5.61,-15.73,;5.6,-17.27,;6.94,-18.04,;8.28,-17.26,;9.75,-17.73,;10.65,-16.48,;9.73,-15.23,;8.27,-15.72,)|
COCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(19.05,-9.69,;17.72,-8.92,;16.38,-9.69,;15.05,-8.91,;13.71,-9.68,;14.47,-11.01,;12.94,-11.01,;12.38,-8.92,;11.05,-9.7,;9.56,-9.3,;9.17,-10.8,;10.66,-11.18,;7.84,-11.57,;6.5,-10.81,;7.84,-13.11,;6.51,-13.88,;6.51,-15.43,;7.85,-16.2,;9.19,-15.42,;10.66,-15.89,;11.56,-14.63,;10.64,-13.39,;9.18,-13.88,)|
CC(CCCCCC(=O)NO)n1cc(cn1)-c1ncnc2[nH]ccc12
ONC(=O)CCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1COCC[C@@H]1C#N |r|
CN([C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1)C1(C)COC1 |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C1CC1)[C@H]1COCC[C@@H]1C#N |r|
C[C@@H]1NS(=O)(=O)c2ccc(Nc3nn(cc3C(N)=O)[C@H]3COCC[C@@H]3C#N)cc12 |r|
NC(=O)c1cn(nc1Nc1ccc(C#N)c(c1)C#N)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(C#N)c(Cl)c1)[C@H]1COCC[C@@H]1C#N |r|
COc1ccnc2c(F)cc(Nc3nn(cc3C(N)=O)[C@H]3COCC[C@@H]3C#N)cc12 |r|
NC(=O)c1cn(nc1Nc1cc(F)c2nccc(Cl)c2c1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)-n1ccnn1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(C#N)c(c1)C1CC1)[C@H]1COCC[C@@H]1C#N |r|
CN(C)c1cc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc(F)n1 |r|
Cn1cc(cn1)-c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1 |r|
Cc1ncnc2ccc(Nc3nn(cc3C(N)=O)[C@H]3COCC[C@@H]3C#N)cc12 |r|
Cc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cc(cc2Cl)C#N)ncn1
NC(=O)c1cnc(Nc2ccccc2)cc1NCc1ccccc1
NC(=O)c1cnn2cc(cc2c1NCc1ccccc1)-c1ccccc1
NC(=O)c1cnn2cccc2c1NCc1cccc(NC(=O)C=C)c1
C\C=C\C(=O)Nc1cccc(CNc2c(cnn3cccc23)C(N)=O)c1
NC(=O)c1cnn2cccc2c1NCc1cccc(NS(=O)(=O)C=C)c1
CN(C)\C=C(\C#N)C(=O)Nc1cccc(CNc2c(cnn3cccc23)C(N)=O)c1
NC(=O)c1cnn2cccc2c1NCc1cccc(NC(=O)COc2c(F)c(F)c(F)c(F)c2F)c1
NC(=O)c1cnn2cccc2c1NCc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1
NC(=O)c1cnn2cccc2c1NCc1cccc(NC(=O)CC#N)c1
Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O
COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC
COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2c[nH]nc12
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1 |r|
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cccc(Cl)c1
Cn1ncc(NC(=O)c2cnn3cccnc23)c1-c1cc(Cl)ccc1Cl |(66.67,-30.22,;66.27,-28.75,;64.73,-28.74,;64.27,-27.26,;65.52,-26.37,;65.53,-24.83,;64.2,-24.04,;62.86,-24.81,;64.21,-22.5,;63.3,-21.26,;64.2,-20.01,;65.67,-20.48,;67.01,-19.7,;68.35,-20.47,;68.36,-22.02,;67.01,-22.8,;65.68,-22.02,;66.77,-27.28,;68.3,-27.28,;69.05,-25.95,;70.58,-25.94,;71.35,-24.6,;71.37,-27.27,;70.6,-28.6,;69.07,-28.61,;68.3,-29.94,)|
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1O
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1CO
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1CCO
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1C1CC1
COc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Cc1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Cc1cccc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Cc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@@]1(CC[C@H](C1(C)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)N
Cc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cncc(F)c2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(F)nc2)C(N)=O)C1(C)C |r|
COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
CCOc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
CC(C)Oc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(nc2)C#N)C(N)=O)C1(C)C |r|
COc1cccc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
COc1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2F)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc(F)c2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(F)cc2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2Cl)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc(Cl)c2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(Cl)cc2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2C#N)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc(c2)C#N)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C#N)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccncc2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cncnc2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cc[nH]n2)C(N)=O)C1(C)C |r|
Cc1cnccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Cc1cc(ccn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccncc2F)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccnc(F)c2)C(N)=O)C1(C)C |r|
COc1cc(ccn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Nc1nc(Nc2cccc(c2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
CCOC(=O)c1cccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)c1
Nc1nc(Nc2cccc(c2)C(O)=O)nn1C(=O)c1c(F)cccc1F
COC(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Nc1nc(Nc2ccc(cc2)C(O)=O)nn1C(=O)c1c(F)cccc1F
Nc1nc(Nc2ccccc2)nn1C(=O)c1c(F)cccc1F
CN(C)c1cccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)c1
CN(C)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Nc1nc(Nc2cccnc2)nn1C(=O)c1c(F)cccc1F
Fc1ccc(c(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)C(F)(F)F |t:8|
FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCNCC1 |t:11|
CN(C)c1ccc(c(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)C(F)(F)F |t:10|
FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C=O |t:11|
FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCOCC1 |t:11|
c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(cnc(n4)N5CCC(=O)CC5)C(F)(F)F
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1
CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC
CN1C\C=C\COCC2CCCN(C2)c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
CN1C\C=C\COCc2ccc(o2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
CN1C\C=C\CCn2ccc3ccc(cc23)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
C1OCc2cccc(Nc3nccc(n3)-c3ccc4ccn(C\C=C\1)c4c3)c2 |t:24|
CN1C\C=C\CCOc2cc(ccn2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
CN1C\C=C\COCc2cncc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
C1OCc2cccc(Nc3nccc(n3)-c3cncc(COC\C=C\1)c3)c2 |t:24|
C1OCc2ccc(o2)-c2ccnc(Nc3cccc(COC\C=C\1)c3)n2 |t:23|
Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COC\C=C\Cn4ccc5ccc(cc45)-c1n2)c3 |t:23|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cncc(COC\C=C\COCc1c2)c3 |t:29|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccnc(OCC\C=C\COCc1c2)c3 |t:29|
Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COC\C=C\CCOc4cc(ccn4)-c1n2)c3 |t:23|
CN1C\C=C\COCc2ccc(o2)-c2ccnc(Nc3ccc(OCCN4CCCC4)c(C1)c3)n2 |t:3|
CN1C\C=C\COCc2ccc(s2)-c2ccnc(Nc3ccc(OCCN4CCCC4)c(C1)c3)n2 |t:3|
COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)o3 |t:24|
COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)s3 |t:24|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)s3 |t:28|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3csc(COC\C=C\COCc1c2)c3 |t:28|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)o3 |t:28|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3coc(COC\C=C\COCc1c2)c3 |t:28|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cc(COC\C=C\COCc1c2)co3 |t:27|
CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
CN1CCN(CC1)C(=O)C(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N
CN(C)C(=O)C(=Cc1ccc(o1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)C#N
CN(C)C(=O)CCc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
N#CC(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N |(77.79,-13.81,;79.12,-14.58,;80.45,-15.35,;81.78,-14.58,;83.12,-15.36,;84.45,-14.58,;85.59,-15.61,;84.97,-17.01,;83.44,-16.86,;85.74,-18.34,;85.13,-19.74,;86.27,-20.77,;86.27,-22.32,;87.61,-23.09,;88.94,-22.31,;90.42,-22.78,;91.32,-21.52,;90.4,-20.28,;88.93,-20.76,;87.6,-20,;87.27,-18.5,;88.31,-17.36,;89.82,-17.68,;90.85,-16.53,;90.38,-15.06,;88.86,-14.74,;87.83,-15.89,;80.45,-16.88,;80.45,-18.42,)|
N#C\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
c1cc(oc1CCC#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4
N[C@H]1CC[C@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wD:4.7,1.0,(11.36,-7.55,;10.58,-8.87,;9.04,-8.86,;8.26,-10.19,;9.03,-11.53,;10.57,-11.53,;11.34,-10.21,;8.26,-12.85,;6.74,-12.7,;6.12,-14.1,;7.25,-15.12,;7.25,-16.66,;8.58,-17.43,;9.92,-16.65,;11.38,-17.13,;12.29,-15.88,;11.38,-14.64,;9.91,-15.11,;8.58,-14.35,)|
C1CN(CCO1)[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:6.6,wD:9.13,(21.09,-7.72,;20.31,-9.04,;18.78,-9.02,;18.01,-7.69,;18.8,-6.37,;20.34,-6.38,;18,-10.35,;18.76,-11.69,;17.98,-13.01,;16.44,-13,;15.68,-11.67,;16.46,-10.34,;15.67,-14.33,;14.15,-14.18,;13.53,-15.57,;14.67,-16.6,;14.66,-18.14,;16,-18.91,;17.33,-18.13,;18.8,-18.61,;19.7,-17.36,;18.79,-16.11,;17.33,-16.59,;15.99,-15.83,)|
C1CN(CCO1)[C@H]1CC[C@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wD:9.13,6.6,(28.26,-8.36,;27.48,-9.68,;25.94,-9.66,;25.18,-8.33,;25.97,-7,;27.51,-7.02,;25.17,-10.99,;23.63,-10.98,;22.84,-12.31,;23.61,-13.64,;25.15,-13.65,;25.92,-12.33,;22.84,-14.97,;21.32,-14.81,;20.7,-16.21,;21.84,-17.23,;21.83,-18.77,;23.17,-19.54,;24.5,-18.77,;25.96,-19.24,;26.87,-17.99,;25.96,-16.75,;24.5,-17.23,;23.16,-16.46,)|
CC(C)C(=O)N[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:6.5,wD:9.12,(36.92,-7.95,;35.39,-7.94,;34.62,-6.6,;34.61,-9.27,;35.37,-10.61,;33.07,-9.26,;32.29,-10.58,;33.05,-11.92,;32.27,-13.25,;30.73,-13.24,;29.96,-11.91,;30.75,-10.58,;29.96,-14.57,;28.44,-14.41,;27.82,-15.81,;28.95,-16.83,;28.95,-18.38,;30.29,-19.15,;31.62,-18.37,;33.09,-18.85,;33.99,-17.6,;33.09,-16.35,;31.62,-16.83,;30.28,-16.07,)|
C(N[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12)C1CC1 |r,wU:2.1,wD:5.8,(42.82,-9.5,;41.29,-9.49,;40.51,-10.81,;41.27,-12.15,;40.49,-13.48,;38.95,-13.47,;38.18,-12.14,;38.97,-10.81,;38.18,-14.8,;36.66,-14.64,;36.04,-16.04,;37.17,-17.06,;37.17,-18.61,;38.51,-19.38,;39.84,-18.6,;41.3,-19.08,;42.21,-17.83,;41.3,-16.58,;39.84,-17.06,;38.5,-16.3,;43.6,-8.17,;44.93,-7.41,;43.61,-6.63,)|
N#CCCN[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(-.8,-20.79,;-2.34,-20.78,;-3.88,-20.77,;-4.66,-22.09,;-6.2,-22.08,;-6.98,-23.41,;-6.22,-24.75,;-7,-26.08,;-8.54,-26.07,;-9.3,-24.73,;-8.52,-23.4,;-9.31,-27.4,;-10.83,-27.24,;-11.45,-28.64,;-10.31,-29.66,;-10.31,-31.21,;-8.98,-31.98,;-7.65,-31.2,;-6.18,-31.67,;-5.28,-30.43,;-6.18,-29.18,;-7.65,-29.66,;-8.99,-28.9,)|
N#Cc1cccc(CN[C@H]2CC[C@@H](CC2)n2cnc3cnc4[nH]ccc4c23)c1 |r,wU:9.8,wD:12.15,(1.74,-19.09,;2.51,-20.43,;3.28,-21.75,;4.82,-21.76,;5.59,-23.1,;4.81,-24.43,;3.27,-24.41,;2.49,-25.73,;.95,-25.72,;.17,-27.05,;.93,-28.39,;.16,-29.72,;-1.38,-29.71,;-2.15,-28.38,;-1.37,-27.04,;-2.15,-31.04,;-3.68,-30.88,;-4.3,-32.28,;-3.16,-33.3,;-3.16,-34.85,;-1.83,-35.62,;-.5,-34.84,;.97,-35.32,;1.88,-34.07,;.97,-32.82,;-.5,-33.3,;-1.84,-32.54,;2.5,-23.08,)|
CS(=O)(=O)N[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(11.6,-22.58,;10.82,-23.9,;12.15,-24.67,;10.82,-25.43,;9.28,-23.89,;8.5,-25.22,;9.26,-26.56,;8.49,-27.88,;6.95,-27.87,;6.18,-26.54,;6.96,-25.21,;6.18,-29.2,;4.65,-29.04,;4.03,-30.44,;5.17,-31.47,;5.17,-33.01,;6.5,-33.78,;7.84,-33,;9.3,-33.48,;10.21,-32.23,;9.3,-30.98,;7.84,-31.46,;6.5,-30.7,)|
COC(=O)N[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(20.99,-23.11,;19.46,-23.09,;18.68,-24.42,;19.44,-25.76,;17.14,-24.41,;16.36,-25.74,;17.12,-27.08,;16.35,-28.4,;14.8,-28.39,;14.04,-27.06,;14.82,-25.73,;14.03,-29.72,;12.51,-29.56,;11.89,-30.96,;13.03,-31.99,;13.03,-33.53,;14.36,-34.3,;15.69,-33.52,;17.16,-34,;18.06,-32.75,;17.16,-31.5,;15.69,-31.98,;14.35,-31.22,)|
COC(=O)N(C)[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:6.5,wD:9.12,(30.13,-23.84,;28.59,-23.83,;27.81,-25.16,;28.57,-26.49,;26.27,-25.15,;25.51,-23.81,;25.5,-26.47,;26.25,-27.81,;25.48,-29.14,;23.94,-29.13,;23.17,-27.8,;23.95,-26.46,;23.17,-30.46,;21.65,-30.3,;21.03,-31.7,;22.16,-32.72,;22.16,-34.27,;23.5,-35.04,;24.83,-34.26,;26.29,-34.73,;27.2,-33.49,;26.29,-32.24,;24.83,-32.72,;23.49,-31.95,)|
COC(=O)N[C@@H]1CC[C@H](C1)n1cnc2cnc3[nH]ccc3c12 |r|
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n2cnc3c2c4cc[nH]c4nc3
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C1)n1cnc2cnc3[nH]ccc3c12 |r|
c1c[nH]c2c1c3c(cn2)ncn3[C@@H]4CCCN(C4)C(=O)CC#N
c1ccc(cc1)CN2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4
c1c[nH]c2c1c3c(cn2)ncn3C4CCNCC4
C(N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12)c1cncnc1
O=C(CC#N)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
O=C(N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1
CC(C)CC(=O)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
O=S(=O)(N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1
CS(=O)(=O)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
CCN1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
FC(F)(F)CN1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
N#CCCN1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
CN(C)CC(=O)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
CN1CCC[C@H]1C(=O)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 |r|
CC(C)N1CCC[C@H]1C(=O)N2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4
CN1CCCC[C@H]1C(=O)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 |r|
CC1(CCNCC1)n1cnc2cnc3[nH]ccc3c12
CC1(CCN(Cc2cncnc2)CC1)n1cnc2cnc3[nH]ccc3c12
CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:8.7,wD:11.14,(41.3,2.36,;40.54,3.7,;41.32,5.03,;42.08,3.7,;39,3.71,;38.24,5.05,;39.02,6.38,;36.7,5.06,;35.92,3.73,;36.68,2.39,;35.9,1.07,;34.36,1.08,;33.6,2.41,;34.38,3.74,;33.59,-.25,;32.07,-.1,;31.45,-1.5,;32.59,-2.52,;32.58,-4.06,;33.92,-4.84,;35.25,-4.06,;36.72,-4.53,;37.62,-3.28,;36.72,-2.04,;35.25,-2.51,;33.91,-1.75,)|
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wD:11.14,8.7,(-.89,-10.06,;-1.65,-8.72,;-.88,-7.39,;-.12,-8.72,;-3.19,-8.71,;-3.96,-7.37,;-3.18,-6.04,;-5.49,-7.36,;-6.27,-8.69,;-7.82,-8.68,;-8.6,-10.01,;-7.83,-11.34,;-6.29,-11.35,;-5.51,-10.03,;-8.6,-12.67,;-10.13,-12.52,;-10.75,-13.92,;-9.61,-14.94,;-9.61,-16.48,;-8.27,-17.25,;-6.94,-16.47,;-5.48,-16.95,;-4.57,-15.7,;-5.48,-14.46,;-6.94,-14.93,;-8.28,-14.17,)|
N[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:1.0,wD:4.7,(4.24,-7.82,;3.46,-9.14,;4.22,-10.48,;3.44,-11.81,;1.9,-11.8,;1.14,-10.47,;1.92,-9.14,;1.13,-13.13,;-.39,-12.97,;-1.01,-14.37,;.13,-15.39,;.13,-16.93,;1.46,-17.7,;2.79,-16.92,;4.26,-17.4,;5.16,-16.15,;4.26,-14.91,;2.79,-15.38,;1.45,-14.62,)|
C[C@@H]1CCN(C[C@@H]1n1cnc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1ncnc2[nH]ccc12 |r|
C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1cnc2cnc3[nH]ccc3c12 |r|
C(N1CCC[C@H](C1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1 |r|
C(N1CCC[C@@H](C1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1 |r|
C(N1CC[C@H](C1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1 |r|
C(N1CC(C1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1
CN1CCC[C@@H]1C(=O)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 |r|
CC1(CCN(CC(F)(F)F)CC1)n1cnc2cnc3[nH]ccc3c12
CC1(CCN(CCC#N)CC1)n1cnc2cnc3[nH]ccc3c12
Cc1nc2cnc3[nH]ccc3c2n1C1CCN(Cc2ccccc2)CC1
Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3
Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](O)C1 |r|
Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@@H](O)C1 |r|
Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCC[C@@H](O)C1 |r|
Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1 |r|
Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@H](O)CC1 |r,wD:16.19,13.15,(-3.95,-29.28,;-3.18,-30.61,;-3.8,-32.02,;-2.66,-33.05,;-2.66,-34.59,;-1.32,-35.35,;.01,-34.58,;1.48,-35.05,;2.38,-33.81,;1.47,-32.56,;.01,-33.04,;-1.33,-32.27,;-1.64,-30.77,;-.81,-29.48,;-1.51,-28.11,;-.66,-26.82,;.88,-26.9,;1.71,-25.61,;1.57,-28.27,;.73,-29.56,)|
Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](O)CC1 |r,wU:16.19,wD:13.15,(24.47,-17.1,;25.29,-18.4,;24.72,-19.83,;25.91,-20.81,;25.96,-22.35,;27.33,-23.07,;28.63,-22.24,;30.11,-22.66,;30.96,-21.38,;30.01,-20.17,;28.57,-20.7,;27.2,-19.99,;26.83,-18.5,;27.62,-17.18,;29.17,-17.22,;29.97,-15.9,;29.23,-14.55,;30.02,-13.24,;27.69,-14.52,;26.88,-15.83,)|
COC(=O)N[C@H]1CC[C@@H](CC1)n1c(C)nc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(17.33,-10.61,;15.8,-10.54,;14.97,-11.83,;13.43,-11.76,;15.74,-13.16,;14.98,-14.5,;15.73,-15.84,;14.96,-17.17,;13.42,-17.16,;12.65,-15.81,;13.44,-14.49,;12.63,-18.48,;11.09,-18.35,;10.3,-17.03,;10.49,-19.77,;11.66,-20.78,;11.69,-22.31,;13.03,-23.07,;14.35,-22.27,;15.82,-22.72,;16.71,-21.46,;15.78,-20.23,;14.32,-20.73,;12.97,-19.98,)|
CC(=O)N[C@H]1CC[C@@H](CC1)n1c(C)nc2cnc3[nH]ccc3c12 |r,wU:4.3,wD:7.10,(.89,-9.34,;.16,-10.7,;-1.39,-10.74,;1.04,-11.96,;.38,-13.35,;1.11,-14.7,;.3,-16.02,;-1.24,-15.97,;-1.97,-14.62,;-1.16,-13.31,;-2.04,-17.29,;-3.58,-17.11,;-4.34,-15.77,;-4.22,-18.52,;-3.08,-19.56,;-3.09,-21.1,;-1.76,-21.88,;-.42,-21.11,;1.04,-21.61,;1.95,-20.37,;1.06,-19.11,;-.41,-19.58,;-1.74,-18.8,)|
Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NS(C)(=O)=O |r,wU:16.22,wD:13.15,(26.65,-1.88,;27.4,-3.22,;26.74,-4.62,;27.86,-5.67,;27.83,-7.21,;29.15,-8.01,;30.5,-7.27,;31.96,-7.77,;32.88,-6.55,;32.01,-5.28,;30.53,-5.73,;29.21,-4.93,;28.93,-3.42,;29.74,-2.11,;31.28,-2.16,;32.09,-.84,;31.36,.51,;29.82,.56,;29.01,-.75,;32.17,1.82,;31.44,3.18,;32.26,4.49,;29.95,2.78,;30.35,4.28,)|
Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCCC#N |r,wU:16.22,wD:13.15,(11.06,-.77,;11.78,-2.13,;11.1,-3.52,;12.21,-4.59,;12.16,-6.13,;13.46,-6.94,;14.82,-6.22,;16.27,-6.76,;17.22,-5.54,;16.36,-4.26,;14.88,-4.68,;13.57,-3.87,;13.31,-2.35,;14.65,-1.58,;15.98,-2.35,;17.31,-1.58,;17.31,-.04,;15.98,.73,;14.64,-.04,;18.65,.73,;18.64,2.27,;17.31,3.04,;17.31,4.58,;17.31,6.12,)|
Cc1nc2cnc3[nH]ccc3c2n1C1CCNCC1(F)F
Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCNC[C@@H]1F |r|
Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCNC[C@H]1F |r|
Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1 |r|
Cc1nc2cnc3[nH]ccc3c2n1C1CCOCC1
Cc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCC[C@H]1O |r|
Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCCNC1 |r|
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6
Fc1ccc-2cc1COCC=CCOCc1cc(Nc3nccc-2n3)ccc1OCCN1CCCC1 |w:10.10|
COc1ccc-2cc1COCC=CCOCc1cc(Nc3nccc-2n3)ccc1OCCN1CCCC1 |w:11.11|
Fc1cc2COCC=CCOCc3cc(Nc4nccc(n4)-c(c1)c2)ccc3OCCN1CCCC1 |w:7.6|
COc1ccc2COCC=CCOCc3cc(Nc4nccc(n4)-c1c2)ccc3OCCN1CCCC1 |w:9.8|
Fc1cnc2Nc3ccc(OCCN4CCCC4)c(COCC=CCOCc4cccc(c4)-c1n2)c3 |w:23.24|
Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COCC=CCOCc4cccc(c4)-c1n2)c3 |w:23.24|
COc1cc2Nc3nccc(n3)-c3cccc(COCC=CCOCc(c2)c1OCCN1CCCC1)c3 |w:20.20|
CCN(CC)CCC(=O)Nc1cc2COCC=CCOCc3cccc(c3)-c3ccnc(Nc(c2)c1)n3 |w:17.17|
C(CN1CCOCC1)Oc1cc2COCC=CCOCc3cccc(c3)-c3ccnc(Nc(c2)c1)n3 |w:16.17|
C(CN1CCCC1)Oc1cc2COCC=CCOCc3cccc(c3)-c3ccnc(Nc(c2)c1)n3 |w:15.16|
O=C1CCN(CCOc2ccc3Nc4nccc(n4)-c4cccc(COCC=CCOCc2c3)c4)C1 |w:27.27|
O=C1CCCN1CCOc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:28.29|
C(CN1CCCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:28.29|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:27.28|
CCN(CC)CCOc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:27.27|
ClCCOc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:23.23|
CN(C)CCN(C)c1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:26.26|
CCS(=O)(=O)N1CCN(CC1)c1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:30.31|
CC(=O)N1CCN(CC1)c1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:28.29|
OCCN1CCN(CC1)c1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:28.29|
CN1CCN(CC1)c1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:26.27|
C1CN(CCN1)c1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:25.26|
C1CN(CCO1)c1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:25.26|
Oc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:20.20|
COc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:21.21|
COc1ccc2Nc3nccc(n3)-c3cccc(OCC=CCOCc1c2)c3 |w:20.20|
COc1ccc2Nc3nccc(n3)-c3cccc(OCCC=CCOCc1c2)c3 |w:21.21|
C1CC=CCOc2cccc(Nc3nccc(n3)-c3cccc(O1)c3)c2 |w:2.1|
C1CC=CCCOc2cccc(c2)-c2ccnc(Nc3cccc(O1)c3)n2 |w:3.3|
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1
CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
CC(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
CC(C)CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
CCOC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
Cn1ccc(CCc2nc3cnc4[nH]ccc4c3n2C2CCN(CCC#N)CC2)n1
N#CCCN1CCC(CC1)n1c(CCn2cccn2)nc2cnc3[nH]ccc3c12
Cn1ccnc1CCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
N#CCCN1CCC(CC1)n1c(CC2CCOCC2)nc2cnc3[nH]ccc3c12
N#CCCN1CCC(CC1)n1c(CCC2CCCO2)nc2cnc3[nH]ccc3c12
N#CCCN1CCC(CC1)n1c(CC2CCCO2)nc2cnc3[nH]ccc3c12
N#CCCN1CCC(CC1)n1c(CC2CCCC2)nc2cnc3[nH]ccc3c12
N#CCCN1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)C1CCC1
CC(C)c1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
N#CCCN1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)C1CC1
CCCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1C[C@@H]2CC[C@H]1C2 |r|
CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2
CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCCCC1
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCC1
CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
CC(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1O2
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCSC1
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1 |r|
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCOC1
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1
O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1 |r|
Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCNCC2)nc1Nc1cccc(CO)c1
[H][C@]12CN(c3cnc(F)c(Nc4ncc(C)c(N[C@H](C)C(C)C)n4)c3)[C@]([H])(CN1C)C2 |r|
[H][C@]12CN(c3ccc(F)c(Nc4ncc(C)c(Nc5cccc(CO)c5)n4)c3)[C@]([H])(CN1C)C2 |r|
Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCN(CCO)CC2)nc1Nc1cccc(CO)c1
[H][C@]12CN(c3cnc(F)c(Nc4ncc(C)c(N[C@H](C)CC)n4)c3)[C@]([H])(CN1C)C2 |r|
Cc1cnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)nc1Nc1cccc(CO)c1
CN1CCN(CC1)c1cc(Nc2ncc(Br)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
[H][C@]12CN(c3cnc(F)c(Nc4ncc(C)c(Nc5cccc(CO)c5)n4)c3)[C@]([H])(CN1C)C2 |r|
COCCN1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Cc1cnc(nc1Nc2cccc(c2)CO)Nc3cc(cc(c3)S(=O)(=O)C)N4CCN(CC4)C
C[C@H]1CN(C[C@@H](C)N1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O |r|
CC(=O)N1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
[H][C@]12CN(c3cnc(F)c(Nc4ncc(C)c(NC(CC)CC)n4)c3)[C@]([H])(CN1C)C2 |r|
[H][C@]12CN(c3cc(Nc4ncc(C)c(Nc5cccc(CO)c5)n4)c(F)c(c3)C(F)F)[C@]([H])(CN1C)C2 |r|
COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
CN1CCN(CC1)c1cc(Nc2nccc(Nc3ccc(F)c(Cl)c3F)n2)cc(c1)S(C)(=O)=O
CN1CCN(CC1)c1cc(Nc2ncc(F)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
CN1CCN(CC1)c1cc(Nc2ncc(Cl)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)nc1Nc1cccc(CO)c1
[H][C@]12CN(c3cc(Nc4ncc(C)c(Nc5cccc(CO)c5)n4)cc(c3)S(C)(=O)=O)[C@]([H])(CN1C)C2 |r|
[H][C@]12CN(c3cc(Nc4ncc(C)c(Nc5cccc(CO)c5)n4)cc(c3)C(F)F)[C@]([H])(CN1C)C2 |r|
CN1CCN(CC1)c1cccc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)c1
Cc1ccc(cc1)Nc2c(cnc(n2)N[C@@H]3CCOC[C@@H]3N)C(=O)N
C=CC(=O)c1ccc2ccccc2c1
CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1 |r|
O=C(N[C@H](C1CC1)C(=O)N1CC[C@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1 |r|
CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC(C)C1 |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC1 |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCCC1 |r|
C[C@H](C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N(C)C |r|
C[C@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C1CCCCC1 |r|
C[C@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(C)(C)C#N |r|
C[C@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3
C[C@@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3
C[C@@H](C(C)(C)C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3
CC(NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C1CC1
CC(C)[C@H](C)NC(=O)c1c[nH]c2ncc(nc12)C1CC1 |r|
CC[C@H](C)NC(=O)c1c[nH]c2ncc(nc12)C1CC1 |r|
CC(C)NC(=O)c1c[nH]c2ncc(nc12)C1CC1
C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1cnc2cc(Cl)ccn12)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1ncn2cc(F)cc(F)c12)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1ncn2cc(F)ccc12)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-n1ncc2cc(Cl)ccc12)C(=O)N1CC(C1)C#N |r|
Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC(C4)C#N)C(C)(C)C)c3n2)c2ccc(Cl)cc12 |r|
Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@H](C4CC4)C(=O)N4CC(C4)C#N)c3n2)c2ccc(Cl)cc12 |r|
CC[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)ccc12)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)cc(F)c12)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(ccc12)C(C)(C)C)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(ccc12)C1CC1)C(=O)N1CC(C1)C#N |r|
COc1ccc2c(nn(C)c2c1)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1 |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(ccc12)C#N)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(F)ccc12)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2ccccc12)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2ccc(Cl)cc12)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)ccc12)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1cn(C)c2cc(Cl)ccc12)C(=O)N1CC(C1)C#N |r|
CCn1cc(cn1)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1 |r|
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1 |r|
CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@@H](C(=O)N5CC(C5)C#N)C(C)(C)C)c4n3)cc12 |r|
CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@H](C5CC5)C(=O)N5CC(C5)C#N)c4n3)cc12 |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(Oc3ccc4CC[C@@H](NC(C)=O)c4c3)nc12)C(=O)N1CC(C1)C#N |r|
C[C@@H](NC(=O)c1c[nH]c2ncc(Oc3ccc4CC[C@@H](NC(C)=O)c4c3)nc12)C1CC1 |r|
C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)[C@@H](CC5)NC(=O)C
CC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc4CC[C@@H](NC(C)=O)c4c3)nc12 |r|
CC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc4CC[C@H](NC(C)=O)c4c3)nc12 |r|
CC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc4CCCc4c3)nc12
CC(NC(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12)C1CC1
CC(C)NC(=O)c1c[nH]c2ncc(Oc3ccccc3C)nc12
CC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc(cc3)C#N)nc12
CC(C)NC(=O)c1c[nH]c2ncc(Oc3cccc(c3)C#N)nc12
COc1cc(OC)cc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
CCc1cccc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
CC(C)NC(=O)c1c[nH]c2ncc(Oc3cccc(C)c3)nc12
CC(C)NC(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 |r|
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1 |r|
OC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 |r|
OC[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 |r|
CC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 |r|
CC[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 |r|
CC(C)(O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 |r|
C[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 |r|
OCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
OCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CCC#N)cc[nH]3)O
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@@H](CC1)C#N |r,wD:15.17,1.1,18.24,(35.43,-6.61,;34.67,-7.94,;33.13,-7.96,;35.45,-9.27,;34.84,-10.67,;35.99,-11.69,;35.99,-13.23,;37.32,-14,;38.65,-13.23,;40.12,-13.7,;41.02,-12.46,;40.12,-11.21,;38.65,-11.69,;37.31,-10.92,;36.98,-9.42,;38.05,-8.32,;37.62,-6.84,;38.7,-5.74,;40.2,-6.12,;40.61,-7.6,;39.54,-8.7,;41.27,-5.02,;42.35,-3.92,)|
C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](C1)NCC(F)(F)F |r|
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](C1)NCC(F)(F)F |r|
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)F |r,wU:18.24,wD:15.17,1.1,(31.96,-51.04,;31.2,-52.38,;29.66,-52.39,;31.98,-53.71,;31.37,-55.11,;32.51,-56.12,;32.51,-57.66,;33.84,-58.43,;35.17,-57.66,;36.64,-58.14,;37.54,-56.89,;36.64,-55.64,;35.17,-56.12,;33.83,-55.35,;33.5,-53.85,;34.57,-52.75,;36.06,-53.13,;37.13,-52.04,;36.72,-50.55,;35.23,-50.17,;34.15,-51.28,;37.8,-49.45,;39.29,-49.83,;40.37,-48.73,;41.86,-49.11,;39.95,-47.25,)|
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F |r,wU:18.24,wD:15.17,1.1,(18.07,-50.72,;17.31,-52.06,;15.77,-52.07,;18.09,-53.39,;17.47,-54.79,;18.62,-55.81,;18.62,-57.35,;19.95,-58.12,;21.28,-57.35,;22.75,-57.82,;23.65,-56.58,;22.75,-55.33,;21.28,-55.81,;19.94,-55.03,;19.61,-53.54,;20.68,-52.43,;22.17,-52.82,;23.24,-51.72,;22.83,-50.23,;21.34,-49.85,;20.26,-50.96,;23.91,-49.13,;25.4,-49.52,;26.48,-48.41,;27.97,-48.8,;26.06,-46.93,;27.56,-47.31,)|
CO[C@H]1CC[C@@H](CC1)n1c(nc2cnc3[nH]ccc3c12)[C@@H](C)O |r,wU:2.1,wD:5.8,20.25,(12.38,-48.72,;10.89,-48.34,;9.81,-49.44,;10.22,-50.92,;9.15,-52.02,;7.66,-51.64,;7.23,-50.16,;8.32,-49.06,;6.59,-52.74,;5.07,-52.59,;4.45,-54,;5.6,-55.01,;5.6,-56.55,;6.93,-57.32,;8.26,-56.55,;9.73,-57.02,;10.63,-55.78,;9.73,-54.53,;8.26,-55.01,;6.92,-54.24,;4.29,-51.27,;5.05,-49.93,;2.75,-51.28,)|
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1 |r|
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](O)CC1 |r,wU:18.21,wD:15.17,1.1,(35.85,-36.74,;35.09,-38.07,;33.55,-38.09,;35.87,-39.4,;35.26,-40.81,;36.41,-41.82,;36.41,-43.36,;37.74,-44.13,;39.07,-43.36,;40.54,-43.83,;41.44,-42.59,;40.54,-41.34,;39.07,-41.82,;37.73,-41.05,;37.4,-39.55,;38.47,-38.45,;39.96,-38.83,;41.03,-37.73,;40.62,-36.25,;41.69,-35.15,;39.12,-35.87,;38.04,-36.97,)|
CCN1CCC(n2c(nc3cnc4[nH]ccc4c23)[C@@H](C)O)C(F)(F)C1 |r|
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@H](O)CC1 |r,wD:15.17,1.1,18.21,(47.63,-37,;46.87,-38.34,;45.33,-38.35,;47.65,-39.67,;47.04,-41.07,;48.18,-42.09,;48.18,-43.63,;49.51,-44.4,;50.85,-43.62,;52.31,-44.1,;53.22,-42.85,;52.31,-41.6,;50.85,-42.08,;49.5,-41.31,;49.17,-39.82,;50.24,-38.71,;49.82,-37.24,;50.9,-36.13,;52.39,-36.51,;53.47,-35.41,;52.81,-38,;51.74,-39.1,)|
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCN(C1)C(=O)CC#N |r|
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@@H](CC1)NCC(F)(F)F |r,wD:15.17,1.1,18.24,(46.01,-51.27,;45.25,-52.6,;43.7,-52.62,;46.02,-53.93,;45.41,-55.34,;46.56,-56.35,;46.56,-57.89,;47.89,-58.66,;49.22,-57.89,;50.69,-58.36,;51.59,-57.12,;50.69,-55.87,;49.22,-56.35,;47.88,-55.58,;47.55,-54.08,;48.62,-52.98,;48.19,-51.5,;49.27,-50.4,;50.77,-50.78,;51.18,-52.26,;50.11,-53.36,;51.84,-49.68,;53.34,-50.06,;54.41,-48.96,;55.91,-49.34,;54,-47.48,;55.5,-47.86,)|
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCOC1 |r|
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCOCC1 |r|
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCN(C1)C(=O)CC(F)(F)F |r|
c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl
C(N1CCC[C@H](C1)n1nnc2cnc3[nH]ccc3c12)c1ccccc1 |r|
N#CCCO[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(24.44,-37.17,;23.09,-36.44,;21.74,-35.71,;20.43,-36.51,;19.08,-35.78,;17.77,-36.58,;17.81,-38.12,;16.5,-38.93,;15.15,-38.19,;15.1,-36.66,;16.41,-35.85,;13.84,-39,;12.32,-38.85,;11.71,-40.25,;12.85,-41.27,;12.85,-42.81,;14.18,-43.58,;15.52,-42.8,;16.99,-43.27,;17.89,-42.01,;16.98,-40.77,;15.51,-41.26,;14.17,-40.49,)|
C(C1CCNCC1)n1nnc2cnc3[nH]ccc3c12
N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:1.0,wD:4.7,(52.74,-23.67,;51.43,-24.47,;51.46,-26.01,;50.16,-26.81,;48.81,-26.08,;48.75,-24.55,;50.07,-23.74,;47.5,-26.88,;45.98,-26.74,;45.37,-28.14,;46.51,-29.15,;46.51,-30.7,;47.84,-31.46,;49.18,-30.69,;50.65,-31.15,;51.55,-29.9,;50.63,-28.66,;49.17,-29.15,;47.83,-28.38,)|
O[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:1.0,wD:4.7,(64.38,-23.09,;63.07,-23.89,;63.11,-25.43,;61.81,-26.23,;60.45,-25.5,;60.4,-23.97,;61.72,-23.16,;59.15,-26.3,;57.63,-26.15,;57.01,-27.56,;58.16,-28.57,;58.16,-30.11,;59.49,-30.88,;60.83,-30.11,;62.3,-30.57,;63.2,-29.32,;62.28,-28.08,;60.82,-28.56,;59.48,-27.8,)|
COC(=O)N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(54.14,-36.54,;52.78,-35.81,;51.47,-36.61,;51.51,-38.15,;50.12,-35.88,;48.81,-36.69,;48.85,-38.22,;47.55,-39.03,;46.19,-38.29,;46.14,-36.76,;47.46,-35.95,;44.88,-39.1,;43.36,-38.95,;42.75,-40.35,;43.9,-41.37,;43.89,-42.91,;45.23,-43.68,;46.57,-42.9,;48.03,-43.37,;48.93,-42.12,;48.02,-40.87,;46.56,-41.36,;45.22,-40.59,)|
C(N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12)c1cccnc1
COC(=O)N[C@@H]1CC[C@H](C1)n1nnc2cnc3[nH]ccc3c12 |r|
CC(C)CC(=O)N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:7.6,wD:10.13,(69.03,-37.07,;68.99,-35.53,;70.3,-34.73,;67.64,-34.8,;66.32,-35.6,;66.37,-37.14,;64.97,-34.87,;63.66,-35.67,;63.7,-37.21,;62.39,-38.02,;61.04,-37.28,;60.99,-35.75,;62.3,-34.94,;59.73,-38.09,;58.21,-37.94,;57.6,-39.34,;58.74,-40.36,;58.74,-41.9,;60.07,-42.67,;61.41,-41.89,;62.88,-42.36,;63.78,-41.11,;62.87,-39.87,;61.4,-40.35,;60.06,-39.58,)|
CS(=O)(=O)N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12
CC1(CCN(CC1)S(C)(=O)=O)n1nnc2cnc3[nH]ccc3c12
C1CC(CCN1)n1nnc2cnc3[nH]ccc3c12
F[C@H]1CNCC[C@H]1n1nnc2cnc3[nH]ccc3c12 |r|
N#CCCN[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(11.59,-36.36,;10.24,-35.63,;8.89,-34.9,;7.58,-35.71,;6.22,-34.97,;4.91,-35.78,;4.95,-37.32,;3.65,-38.12,;2.29,-37.39,;2.24,-35.85,;3.56,-35.04,;.99,-38.19,;-.54,-38.04,;-1.15,-39.44,;-.01,-40.46,;-.01,-42,;1.33,-42.77,;2.67,-41.99,;4.14,-42.46,;5.04,-41.21,;4.12,-39.97,;2.66,-40.45,;1.32,-39.68,)|
CC1(CCN(CCC#N)CC1)n1nnc2cnc3[nH]ccc3c12
N#CCCN1CCC(CC1)n1nnc2cnc3[nH]ccc3c12
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n1nnc2cnc3[nH]ccc3c12 |r|
C(N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12)c1ccccc1
CN1CCC[C@H]1C(=O)N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12 |r|
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:8.7,wD:11.14,(38.37,-38.93,;38.33,-37.4,;39.64,-36.59,;39.65,-38.16,;36.97,-36.66,;35.66,-37.47,;35.7,-39.01,;34.31,-36.73,;33,-37.54,;33.04,-39.08,;31.73,-39.88,;30.37,-39.15,;30.32,-37.61,;31.64,-36.8,;29.07,-39.95,;27.55,-39.8,;26.93,-41.21,;28.08,-42.22,;28.08,-43.77,;29.41,-44.54,;30.75,-43.76,;32.22,-44.23,;33.12,-42.97,;32.2,-41.73,;30.74,-42.22,;29.4,-41.45,)|
c1c[nH]c2c1c3c(cn2)nnn3[C@@H]4CCCN(C4)C(=O)CC#N
F[C@@H]1CNCC[C@H]1n1nnc2cnc3[nH]ccc3c12 |r|
Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl
Clc1cccc(Cl)c1C(=O)Nc1ccnc2[nH]ccc12
Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2cccnn2)c1
Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2ccccn2)c1
Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2cnccn2)c1
CCNC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
CCn1cc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)cn1
Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2ccncn2)c1
Clc1cccc(Cl)c1C(=O)Nc1cc[nH]c(=O)c1
COC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
Clc1cccc(Cl)c1C(=O)Nc1ccncc1
Clc1ccc(Cl)c(c1)C(=O)Nc1ccncc1
FC(F)(F)c1ccc(Cl)c(c1)C(=O)Nc1ccncc1
Nc1cccc(Cl)c1C(=O)Nc1ccncc1
Fc1cccc(Cl)c1C(=O)Nc1ccncc1
Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CCC2)c1
Clc1ccc(C(=O)Nc2ccncc2)c(Cl)c1
Fc1cccc(F)c1C(=O)Nc1ccncc1
CC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CCCO2)c1
Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CNC2)c1
NCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
OCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)c2ccccc2)c1
Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CCCC2)c1
Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)CC2CC2)c1
CC(C)(C)C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
CC(C)C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2ncccn2)c1
Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2ccccc2)c1
CS(=O)(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
CNc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
Clc1cccc(Cl)c1-c1nnc([nH]1)-c1ccncc1
Clc1cccc(Cl)c1-c1nc(c[nH]1)-c1ccncc1
Clc1cccc(Cl)c1-c1c[nH]c(n1)-c1ccncc1
Clc1cccc(Cl)c1C(=O)NCc1ccncc1
CN(C(=O)c1c(Cl)cccc1Cl)c1ccncc1
Clc1cccc(Cl)c1CNc1ccncc1
Clc1cccc(Cl)c1S(=O)(=O)Nc1ccncc1
Clc1cccc(Cl)c1NC(=O)c1ccncc1
COc1ccc(C(=O)Nc2ccncc2)c(Cl)c1
Nc1ccc(C(=O)Nc2ccncc2)c(Cl)c1
FC(F)(F)c1ccc(C(=O)Nc2ccncc2)c(Cl)c1
COc1ccc(Cl)c(c1)C(=O)Nc1ccncc1
COc1cccc(C(=O)Nc2ccncc2)c1Cl
Nc1cccc(C(=O)Nc2ccncc2)c1Cl
Clc1cccc(C(=O)Nc2ccncc2)c1Cl
FC(F)(F)c1cccc(Cl)c1C(=O)Nc1ccncc1
Cc1cccc(Cl)c1C(=O)Nc1ccncc1
FC(F)(F)c1ccccc1C(=O)Nc1ccncc1
Cc1ccccc1C(=O)Nc1ccncc1
Clc1ccccc1C(=O)Nc1ccncc1
O=C(Nc1ccncc1)c1ccccc1
O=c1[nH]ccc2c(ncnc12)N1CCCCC1
CN(C1CCCC1)c1ncnc2c1cc[nH]c2=O
CCOC(=O)[C@H]1CCC[C@H]1Nc1ncnc2c1cc[nH]c2=O |r|
O=c1[nH]ccc2c(OC3CCCC3)ncnc12
OCC1CCCC1Nc1ncnc2c1cc[nH]c2=O
O=c1[nH]ccc2c(NC3CCOCC3)ncnc12
O=c1[nH]ccc2c(NCc3ccccc3)ncnc12
CC(C)(C)CNc1ncnc2c1cc[nH]c2=O
O=c1[nH]ccc2c(N[C@@H]3CCCOC3)ncnc12 |r|
O=c1[nH]ccc2c(NCC3CCCC3)ncnc12
Clc1ccc(Nc2ncnc3c2cc[nH]c3=O)cc1
OC1CCCC1Nc1ncnc2c1cc[nH]c2=O
OCC1(CCCC1)Nc1ncnc2c1cc[nH]c2=O
O=c1[nH]ccc2c(NC3CCCCCC3)ncnc12
O=c1[nH]ccc2c(N[C@@H]3C[C@H]4CC[C@@H]3C4)ncnc12 |r|
c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O
O=c1[nH]ccc2c(N[C@@H]3CC[C@H](C3)C#N)ncnc12 |r|
O=c1[nH]ccc2c(NCCC3CCCCC3)ncnc12
O=c1[nH]ccc2c(NC3CCC3)ncnc12
CC(C)(C)Nc1ncnc2c1cc[nH]c2=O
O=c1[nH]ccc2c(NC3CCCC3)ncnc12
O=c1[nH]ccc2c(N[C@@H]3CC[C@@H](C3)C#N)ncnc12 |r|
O=c1[nH]ccc2c(N[C@@H]3CCC[C@H]3C#N)ncnc12 |r|
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O
C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C)c2n1)c1ncc(F)cn1 |r|
C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccncc2n1)c1ncc(F)cn1 |r|
C[C@H](Nc1nc(Nc2cn(C)cn2)c2nccnc2n1)c1ncc(F)cn1 |r|
CC(Nc1nc(Nc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cn1
C[C@H](Nc1nc(Nc2cn(C)cn2)c2cnn(C)c2n1)c1ncc(F)cn1 |r|
CC(Nc1nc(Nc2cn(C)cn2)c2c[nH]nc2n1)c1ncc(F)cn1
C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C3CC3)c2n1)c1ncc(F)cn1 |r|
Fc1cc(ccn1)N1CC(C1)c1cccc(NC2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c1 |t:19|
Fc1cc(ccn1)N1CCC(CC1)c1cccc(NC2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c1 |t:21|
Fc1cc(ccn1)N1CCC(C1)c1cccc(NC2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c1 |t:20|
Fc1cc(ccn1)N1CC[C@H](C1)Oc1cccc(NC2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c1 |r,t:21|
Fc1cc(ccn1)N1CC[C@@H](C1)Oc1cccc(NC2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c1 |r,t:21|
Fc1cc(ccn1)N1CCC(C1)Oc1cccc(NC2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c1 |t:21|
Fc1cc(ccn1)N1CC(C1)Oc1cccc(NC2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c1 |t:20|
Fc1cc(ccn1)N1CCCC(C1)Oc1cccc(NC2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c1 |t:22|
Fc1cc(ccn1)N1CCC(CC1)Oc1cccc(NC2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c1 |t:22|
Fc1cc(NCCOc2cccc(NC3=CC(=O)NC3=O)c2)ccn1 |t:14|
Fc1cc(NCCOc2cccc(NC3=C(C(=O)NC3=O)c3ccccc3)c2)ccn1 |t:14|
CN(CCOc1cccc(NC2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c1)c1ccnc(F)c1 |t:11|
Cn1cc(C2=C(Nc3cccc(OCCNc4ccnc(F)c4)c3)C(=O)NC2=O)c2ccccc12 |c:4|
Fc1cc(NCCOc2cccc(NC3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2)ccn1 |t:14|
Fc1cc(NCCOc2ccccc2NC2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)ccn1 |t:16|
Fc1cc(NCCOc2ccc(NC3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)cc2)ccn1 |t:13|
Fc1cc(NCCCOc2ccc(NC3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)cc2)ccn1 |t:14|
O=C1NC(=O)C(=C1Nc1ccccc1OCCn1ccnc1)c1c[nH]c2ccccc12 |c:5|
O=C1NC(=O)C(=C1Nc1ccc(OCCCn2ccnc2)cc1)c1c[nH]c2ccccc12 |c:5|
O=C1NC(=O)C(=C1Nc1ccc(OCCn2ccnc2)cc1)c1c[nH]c2ccccc12 |c:5|
O=C1NC(=O)C(=C1Nc1cccc(OCCn2ccnc2)c1)c1c[nH]c2ccccc12 |c:5|
O=C1NC(=O)C(=C1Nc1cccc(OCCCn2ccnc2)c1)c1c[nH]c2ccccc12 |c:5|
O=C1NC(=O)C(=C1Nc1ccccc1)c1cn(CCCn2ccnc2)c2ccccc12 |c:5|
CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)Nc2ccc(\C=C\C(=O)NO)cc2)n1
CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCCC(=O)NO)n1
ONC(=O)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1
OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
CN([C@@H]1CCN(C1)S(=O)(=O)C(F)(F)F)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1ccc(C)cc1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1ccc(cc1)C(F)(F)F)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)N1CCCCC1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r|
CN([C@H]1CN(CC11CCC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r|
O=C(CC#N)N1CC[C@H](C1)N(CC1CC1)c1ncnc2[nH]ccc12 |r|
O=S(=O)(N1CC[C@H](C1)Nc1ncnc2[nH]ccc12)c1cccc(c1)C#N |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r|
CCCCN1CC[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)C(=O)CN=[N+]=[N-])c1ncnc2[nH]ccc12 |r|
CC(C)COC(=O)N1CC[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)C(=O)Nc1ccccc1)c1ncnc2[nH]ccc12 |r|
CCS(=O)(=O)N1CC[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1cn(C)cn1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1ccccc1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1ccccc1F)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1ccccc1C#N)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1ccc(cc1)C#N)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)N1CCOCC1)c1ncnc2[nH]ccc12 |r|
O=S(=O)(N1CC[C@H](C1)N(CC1CC1)c1ncnc2[nH]ccc12)c1cccc(c1)C#N |r|
CN([C@@H]1CCN(C1)S(C)(=O)=O)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1cccc(F)c1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(CCC#N)C1)c1ncnc2[nH]ccc12 |r|
CCCS(=O)(=O)N1CC[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|
CCN([C@@H]1CCN(C1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r|
CCN([C@@H]1CCN(C1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r|
CC(C)CC(=O)N1CC[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|
CC(C)S(=O)(=O)N1CC[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1ccc(F)cc1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1ccccc1[N+]([O-])=O)c1ncnc2[nH]ccc12 |r|
COc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|
CN([C@H]1CN(CC1(C)C)C(=O)CC#N)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1cccc(C)c1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)S(=O)(=O)c1ccc2ccccc2c1)c1ncnc2[nH]ccc12 |r|
CN(C)CC(=O)N1CCCC(Cn2nc(-c3cnn(C)c3)c3c(N)ncnc23)C1
CN(C)CC(=O)N1CCCC(C1)n1nc(-c2cnn(C)c2)c2c(N)ncnc12
Cn1cc(cn1)-c1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12
Cn1cc(cn1)-c1nn(CC2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
COCCn1cc(cn1)-c1nn(CC2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
COCCn1cc(cn1)-c1nn(CC2CCCN(C2)C(=O)CC#N)c2ncnc(N)c12
COCCn1cc(cn1)-c1nn(C2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
Cn1cc(cn1)-c1nn(C2CCCN(C2)C(=O)CC#N)c2ncnc(N)c12
COCCn1cc(cn1)-c1nn(C2CCCN(C2)C(=O)CC#N)c2ncnc(N)c12
Cn1cc(cn1)-c1nn(C2CCN(CC2)C#N)c2ncnc(N)c12
COCCn1cc(cn1)-c1nn(C2CCN(CC2)C#N)c2ncnc(N)c12
Cn1cc(cn1)-c1nn(CC2CCCN(C2)C(=O)CC#N)c2ncnc(N)c12
Cn1cc(cn1)-c1nn(C2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
COCCn1cc(cn1)-c1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12
NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC(C2)CC1C3 |TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:13:14:17:20.21.22,13:21:17:15.19.14,12:13:17.18.20:22,(38.01,-5.93,;36.68,-6.7,;36.68,-8.24,;35.34,-5.93,;35.34,-4.38,;34,-3.62,;32.66,-4.4,;31.2,-3.93,;30.3,-5.18,;31.21,-6.42,;32.67,-5.94,;34.01,-6.71,;34.01,-8.25,;32.72,-9.1,;32.7,-10.64,;31.3,-10.99,;29.97,-10.5,;28.77,-11.78,;30.27,-11.37,;31.7,-11.93,;30.27,-9.77,;31.31,-8.53,;29.96,-9,)|
NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(62.43,-6.04,;61.1,-6.81,;61.1,-8.35,;59.76,-6.04,;59.75,-4.49,;58.42,-3.73,;57.08,-4.5,;55.61,-4.03,;54.71,-5.28,;55.62,-6.53,;57.09,-6.04,;58.42,-6.82,;58.42,-8.36,;57.14,-9.21,;57.12,-10.75,;56.11,-12.03,;54.69,-11.48,;54.69,-9.88,;55.72,-8.64,;54.38,-9.11,;54.39,-10.61,;53.04,-9.84,;53.19,-11.89,;55.71,-11.09,)|
[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1c(cnc2[nH]ccc12)C(N)=O |r|
COC12CC3CC(C1)C(Nc1c(cnc4[nH]ccc14)C(N)=O)C(C3)C2 |TLB:5:4:24:7.6.8,5:6:3.4.23:24,THB:8:6:3:23.22.24,8:22:3:7.5.6,9:8:3.4.23:24,(18.96,-21.75,;18.96,-23.29,;20.3,-24.06,;19.11,-25.34,;20.61,-24.93,;22.03,-25.48,;23.04,-24.2,;21.63,-24.54,;23.06,-22.66,;24.34,-21.81,;24.34,-20.27,;25.68,-19.49,;25.67,-17.94,;24.33,-17.18,;23,-17.96,;21.53,-17.49,;20.63,-18.74,;21.54,-19.98,;23,-19.5,;27.01,-20.26,;28.34,-19.49,;27.01,-21.8,;21.64,-22.09,;20.6,-23.33,;20.3,-22.56,)|
NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(F)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(13.58,-20.03,;12.25,-20.81,;12.25,-22.35,;10.91,-20.04,;10.91,-18.49,;9.57,-17.72,;8.23,-18.5,;6.77,-18.03,;5.87,-19.28,;6.78,-20.52,;8.24,-20.04,;9.57,-20.81,;9.57,-22.35,;8.29,-23.21,;8.27,-24.74,;7.26,-26.03,;5.84,-25.47,;5.84,-23.87,;6.88,-22.63,;5.53,-23.11,;5.54,-24.61,;4.2,-23.83,;4.34,-25.88,;6.87,-25.09,)|
NC(=O)c1cnc2[nH]ccc2c1NC12CC3CC(CC(C3)C1)C2 |THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19,12:13:16:20.18.19|
CC[C@@H](C(=O)NCC(F)(F)F)n1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O |r|
COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCNC3)c(=O)c2cc1OC |r|
N#CNC1CCOc2ccc(cc12)-c1ncnc2[nH]ccc12
O[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|
O[C@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|
COCCc1c[nH]c2ncnc(-c3ccc4OCCC(NC#N)c4c3)c12
COCCc1c[nH]c2ncnc(-c3ccc4OCCN(C#N)c4c3)c12
O=S(=O)(N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12)c1cccc(c1)C#N |r|
N#CN[C@H]1CCc2ccc(cc12)-c1ncnc2[nH]cc(-c3ccccc3)c12 |r|
N#CN[C@H]1CCc2ccc(cc12)-c1ncnc2[nH]ccc12 |r|
COCCc1c[nH]c2ncnc(-c3cccc(NC(=O)C=C)c3)c12
COCCc1c[nH]c2ncnc(-c3ccc4OC(F)(F)CN(C#N)c4c3)c12
COCCc1c[nH]c2ncnc(-c3ccc4CCC(NC#N)c4c3)c12
CN(C#N)C1CCc2ccc(cc12)-c1ncnc2[nH]ccc12
N#CN[C@@H]1CCOc2ccc(cc12)-c1ncnc2[nH]ccc12 |r|
C[C@H]1Cc2ccc(cc2[C@@H]1NC#N)-c1ncnc2[nH]ccc12 |r|
C[C@@H]1Cc2ccc(cc2[C@@H]1NC#N)-c1ncnc2[nH]ccc12 |r|
C[C@]1(CCc2ccc(cc12)-c1ncnc2[nH]ccc12)NC#N |r|
CS(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|
COCCS(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|
OCc1cccc(c1)-c1c[nH]c2ncnc(-c3ccc4CC[C@H](NC#N)c4c3)c12 |r|
COCCc1c[nH]c2ncnc(-c3ccc4OCCN(C(=O)C=C)c4c3)c12
N#CN[C@H]1CCOc2ccc(cc12)-c1ncnc2[nH]ccc12 |r|
CC1(CCc2ccc(cc12)-c1ncnc2[nH]ccc12)NC#N
O[C@@H]1Cc2ccc(cc2[C@H]1NC#N)-c1ncnc2[nH]ccc12 |r|
Cn1nccc1S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|
Fc1cccc(c1)S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|
COc1ccc(cc1)S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|
N#CN[C@@H]1CCc2ccc(cc12)-c1ncnc2[nH]ccc12 |r|
C[C@@]1(CCc2ccc(cc12)-c1ncnc2[nH]ccc12)NC#N |r|
N#CNC1CCc2ccc(cc12)-c1ncnc2[nH]ccc12
CN1CCN(CC1)c1ccc(cc1)-c1c(cnc2[nH]ccc12)-c1cc(F)c(O)c(F)c1
ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CCS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
C\C=C\C(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
[H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(C)=O |r|
[H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)C=C |r|
C=CC(=O)Nc1cccc(c1)-c1ncnc2[nH]ccc12
CN([C@@H]1CCCN(C1)C(=O)C=C)c1ncnc2[nH]ccc12 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)C=C |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
NC(=O)c1cnc2[nH]ccc2c1N[C@H]1C2CC3CC1CC(C2)C3O |r,wU:13.14,TLB:21:20:17:15.14.13,12:13:17:19.22.20,THB:22:16:13:19.20.21,22:20:17.16.15:13,23:22:17:15.14.13,21:14:17:19.22.20,(37.51,-5.57,;38.85,-6.34,;38.85,-7.88,;40.18,-5.56,;40.18,-4.02,;41.53,-3.25,;42.86,-4.03,;44.33,-3.56,;45.23,-4.81,;44.31,-6.05,;42.85,-5.57,;41.52,-6.33,;41.51,-7.87,;42.77,-8.75,;44.12,-8.28,;43.08,-9.51,;43.09,-11.1,;41.58,-11.52,;42.78,-10.24,;44.11,-10.73,;45.51,-10.39,;45.52,-8.86,;44.49,-11.66,;44.89,-13.16,)|
CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCO)c(F)c2)ncc1C
CCCCN(C)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2cnn(c2)C(C)C)cc1F
CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCN3CCN(C)CC3)c(F)c2)ncc1C
CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCCO)c(F)c2)ncc1C
NC(=O)c1nc(oc1Nc1ccc(cc1)C(=O)N1CCOCC1)-c1c(F)cccc1Cl
COc1cc2c(c[nH]c2cc1Br)-c1cnc(o1)-c1ccc[nH]1
COc1ccc(cn1)-c1cc2c(N[C@H](CO)CC3CC3)c(cnn2c1)C(N)=O |r|
CC(C)CNc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O
CC(C)CCNc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O
CC(C)(C)CNc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O
COc1ccc(cn1)-c1cc2c(NC(CO)[C@H](O)C3CC3)c(cnn2c1)C(N)=O |r|
COc1ccc(cn1)-c1cc2c(NC(CO)CO)c(cnn2c1)C(N)=O |@@:13|
C[C@@H](O)[C@@H](CO)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
C[C@H](O)[C@@H](CO)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
C[C@@H](O)[C@H](CO)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
COc1ccc(cn1)-c1cc2c(N[C@H](CO)CC(C)C)c(cnn2c1)C(N)=O |r|
C[C@H](O)[C@H](CO)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
CC(C)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O
NC(=O)c1cnn2cc(cc2c1NC1CCCC1)-c1ccccc1
COc1ccc(cn1)-c1cc2c(N[C@H](CO)[C@@H](C)O)c(cnn2c1)C(N)=O |r|
COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2CN(CCc2o1)C(=O)CC#N
CC(Oc1cc(cnc1N)-c1cn[nH]c1)c1cc(F)ccc1Cl
CC(Oc1cc(cnc1N)-c1cccc(c1)N1CCNCC1)c1cc(F)ccc1Cl
COc1ccc(F)cc1C(C)Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1
CC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1cc(F)ccc1Cl
COc1ccc(F)c(Cl)c1C(C)Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Clc1cccc(Nc2nc(Nc3cn[nH]c3)ncc2Cl)c1
ONC(=O)CCCCCCn1cc(Nc2ncc(Cl)c(Nc3cccc(Cl)c3)n2)cn1
ONC(=O)CCCCCCn1cc(Nc2ncc(Cl)c(Nc3ccc(Cl)cc3)n2)cn1
ONC(=O)CCCCCCn1cc(Nc2ncc(Cl)c(NC3CC3)n2)cn1
ONC(=O)CCCCCn1cc(Nc2ncc(Cl)c(Nc3ccc(Cl)cc3)n2)cn1
ONC(=O)CCCCCCn1cc(Nc2ncc(Cl)c(n2)N2CCCCC2)cn1
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Cc1cc(nn1C)-c1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12
Nc1ncnc2n(CC3CCCN(C3)C(=O)C=C)nc(Br)c12
Cn1nc(cc1C(C)(C)O)-c1nn(C2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
Cn1nc(cc1C(C)(C)O)-c1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12
Cn1nc(cc1N1CCOCC1)-c1nn(C2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)nc(Br)c12
Nc1ncnc2n(nc(Br)c12)C1CCN(CC1)C(=O)C=C
Nc1ncnc2n(nc(Br)c12)C1CCCN(C1)C(=O)CC#N
Nc1ncnc2n(nc(Br)c12)C1CCCN(C1)C(=O)C=C
Cn1nc(cc1C=O)-c1nn(C2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
Cc1cc(nn1C)-c1nn(C2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
Cn1nc(cc1C(C)(C)O)-c1nn(C2CCCN(C2)C(=O)CC#N)c2ncnc(N)c12
Nc1ncnc2n(Cc3cccc(NC(=O)C=C)c3)nc(Br)c12
Cn1nc(cc1C=O)-c1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12
Nc1ncnc2n(nc(I)c12)C1CCCN(C1)C(=O)C=C
Cn1nc(cc1C(C)(C)O)-c1nn(CC2CCN(CC2)C(=O)C=C)c2ncnc(N)c12
Nc1ncnc2n(CC3CCCN(C3)C(=O)CC#N)nc(Br)c12
CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F |r|
O=C(CC1CC1)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:20.23,wD:23.27,(54.26,-42.75,;53.5,-44.08,;51.96,-44.08,;51.18,-42.75,;51.17,-41.21,;49.84,-41.99,;54.27,-45.41,;55.81,-45.41,;56.58,-46.75,;55.96,-48.15,;57.1,-49.17,;57.1,-50.71,;58.43,-51.48,;59.76,-50.71,;61.24,-51.19,;62.15,-49.94,;61.24,-48.68,;59.76,-49.16,;58.42,-48.4,;58.1,-46.9,;59.13,-45.76,;58.66,-44.3,;59.69,-43.15,;61.2,-43.48,;62.23,-42.33,;63.74,-42.66,;65.25,-42.99,;61.67,-44.94,;60.65,-46.08,)|
O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)N1CCC(CC1)N1CCOCC1 |r,wU:15.17,wD:18.21,(59.72,-29.37,;60.49,-28.03,;62.03,-28.03,;62.8,-29.36,;62.18,-30.76,;63.32,-31.78,;63.32,-33.33,;64.65,-34.1,;65.98,-33.33,;67.46,-33.81,;68.37,-32.55,;67.46,-31.3,;65.98,-31.78,;64.64,-31.02,;64.32,-29.52,;65.35,-28.37,;64.88,-26.92,;65.91,-25.77,;67.42,-26.09,;68.45,-24.95,;69.96,-25.28,;71.47,-25.61,;67.89,-27.56,;66.86,-28.7,;59.72,-26.7,;60.49,-25.37,;59.73,-24.04,;58.19,-24.03,;57.41,-25.37,;58.18,-26.71,;57.42,-22.7,;58.2,-21.37,;57.43,-20.04,;55.89,-20.03,;55.12,-21.36,;55.88,-22.7,)|
FC(F)(F)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:21.23,wD:24.27,(29.58,-41.12,;28.81,-42.46,;27.27,-42.46,;28.03,-41.11,;29.58,-43.79,;31.12,-43.79,;31.89,-45.12,;31.13,-46.45,;33.43,-45.12,;34.21,-46.45,;33.58,-47.85,;34.72,-48.87,;34.72,-50.42,;36.06,-51.19,;37.39,-50.42,;38.86,-50.9,;39.78,-49.64,;38.86,-48.39,;37.39,-48.87,;36.05,-48.11,;35.73,-46.61,;36.76,-45.46,;36.28,-44,;37.32,-42.86,;38.83,-43.18,;39.86,-42.04,;41.37,-42.36,;42.87,-42.7,;39.3,-44.65,;38.27,-45.79,)|
Fc1ccc(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cc1 |r,wU:22.24,wD:25.28,(4.15,-4.61,;4.92,-5.95,;6.47,-5.94,;7.24,-7.28,;6.46,-8.6,;7.24,-9.93,;8.78,-9.93,;9.55,-11.26,;8.78,-12.6,;11.09,-11.26,;11.86,-12.6,;11.24,-14,;12.38,-15.02,;12.38,-16.56,;13.71,-17.33,;15.04,-16.56,;16.52,-17.04,;17.43,-15.79,;16.52,-14.53,;15.04,-15.01,;13.7,-14.25,;13.38,-12.75,;14.41,-11.61,;13.94,-10.15,;14.97,-9,;16.48,-9.33,;17.52,-8.18,;19.02,-8.51,;20.53,-8.84,;16.95,-10.79,;15.93,-11.93,;4.93,-8.62,;4.16,-7.29,)|
O[C@H]1CC[C@@H](CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:23.26,4.7,wD:26.30,1.0,(24.62,-9.21,;26.16,-9.22,;26.93,-10.55,;28.47,-10.56,;29.24,-9.23,;28.47,-7.89,;26.94,-7.89,;30.78,-9.23,;31.55,-10.56,;30.78,-11.9,;33.09,-10.56,;33.86,-11.89,;33.24,-13.29,;34.38,-14.31,;34.38,-15.86,;35.71,-16.63,;37.04,-15.86,;38.52,-16.34,;39.43,-15.08,;38.52,-13.83,;37.04,-14.31,;35.7,-13.55,;35.38,-12.05,;36.41,-10.9,;35.93,-9.45,;36.97,-8.3,;38.48,-8.62,;39.51,-7.48,;41.02,-7.81,;42.53,-8.14,;38.95,-10.09,;37.92,-11.23,)|
CC(C)CN1CCC(CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:26.29,wD:29.33,(7.39,-23.23,;8.93,-23.24,;9.7,-21.9,;9.69,-24.57,;11.23,-24.57,;12.01,-23.24,;13.54,-23.24,;14.31,-24.58,;13.55,-25.91,;12,-25.91,;15.85,-24.58,;16.62,-25.91,;15.85,-27.24,;18.16,-25.91,;18.93,-27.24,;18.31,-28.64,;19.45,-29.66,;19.45,-31.21,;20.78,-31.98,;22.11,-31.21,;23.59,-31.69,;24.5,-30.43,;23.59,-29.18,;22.11,-29.66,;20.77,-28.9,;20.45,-27.4,;21.48,-26.25,;21.01,-24.79,;22.04,-23.65,;23.55,-23.97,;24.59,-22.83,;26.09,-23.15,;27.6,-23.49,;24.02,-25.44,;23,-26.58,)|
NC(=O)C12CCC(CC1)(CC2)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:27.31,wD:30.35,(51.54,-6.32,;52.99,-6.72,;53.36,-8.17,;54.07,-5.78,;55.42,-4.48,;56.49,-4.98,;55.4,-5.91,;55.39,-7.27,;54.08,-7.23,;53.78,-4.37,;52.64,-4.97,;56.73,-6.67,;56.73,-8.21,;55.39,-8.99,;58.06,-8.99,;58.06,-10.53,;56.81,-11.41,;57.26,-12.87,;56.46,-14.2,;57.23,-15.55,;58.77,-15.57,;59.8,-16.73,;61.22,-16.11,;61.08,-14.57,;59.56,-14.23,;58.8,-12.89,;59.29,-11.44,;60.76,-10.98,;61.09,-9.48,;62.57,-9.03,;63.71,-10.07,;65.18,-9.62,;66.31,-10.67,;67.44,-11.72,;63.36,-11.57,;61.9,-12.03,)|
Cc1ccc(C(=O)Nc2cccc3c(c[nH]c23)-c2nc(NC(=O)C3CC3)ncc2C)c(C)n1
CN(C)CC(=O)Nc1cccc2c(c[nH]c12)-c1nc(NC(=O)C2CC2)ncc1C
Cc1cnc(Nc2cnn(C)c2)nc1-c1c[nH]c2ccccc12
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)c3cccnc3C)cccc12
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NCc3ccc(C)nc3C)cccc12
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(NC(=O)C2CC2)ncc1C |r|
C[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(NC(=O)C2CC2)ncc1C |r|
CN1CCN(CC(=O)Nc2cccc3c(c[nH]c23)-c2nc(NC(=O)C3CC3)ncc2C)CC1
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2C)ncc1C |r|
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2F)ncc1C |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(Br)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
Cc1cnc(NC(=O)C2CC2)nc1-c1c[nH]c2c(NC(=O)CN3CCOCC3)cccc12
[H][C@@]1(CCN(C1)c1cccc(Cl)c1C#N)[C@@H](CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
Cc1ccc(C(=O)Nc2cccc3c(c[nH]c23)-c2nc(Nc3cnn(C)c3)ncc2C)c(C)n1
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(cccc12)C(=O)Nc1ccc(C)nc1C
CN1CCN(CC1)C(C)(C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(NC(=O)C2CC2)ncc1C
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
[H][C@]12C[C@]([H])(CN(C1)c1ccnc(Nc3ccc(cc3)C(=O)NCC)n1)N2C(=O)C1CC1 |r|
[H][C@@]12CC[C@@]([H])(CN1C(=O)C1CC1)N(C2)c1ccnc(Nc2ccc(cc2)C(=O)NCC)n1 |r|
CCNC(=O)c1ccc(cc1)Nc2nccc(n2)N3C[C@@H]4C[C@H]3CN4C(=O)CC#N
[H][C@]12CC[C@]([H])(CN(C1)c1nc(Nc3cnn(C)c3)ncc1F)N2C(=O)C1CC1 |r|
[H][C@@]12CN(c3ccnc(Nc4ccc(cc4)C(=O)NCC)n3)[C@@]([H])(CN1C(=O)CC#N)C2 |r|
[H][C@]12CN(c3ccnc(Nc4ccc(cc4)C(=O)NCC)n3)[C@]([H])(CN1C(=O)C1CC1)C2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1ccnc(Nc3ccc(cc3)C(=O)NCC)n1)N2C(=O)C1CC1 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(Nc3cnn(CCO)c3)ncc1F)N2C(=O)C1CC1 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(Nc3cnc(C(=O)NCC)c(C)c3)ncc1F)N2C(=O)C1CC1 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1ccnc(Nc3cnn(C)c3)n1)N2C(=O)NCC(F)(F)F |r|
CCNC(=O)c1ccc(Nc2nccc(n2)N2CCN(CC2)C(=O)CC#N)cc1
[H][C@]12CC[C@]([H])(CN(C1)c1nc(Nc3ccc(cn3)C(=O)NCC)ncc1F)N2C(=O)C1CC1 |r|
NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)NC1CC1
NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O
CCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O
CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F
[2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F
CN(C)C(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O
CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O
OC[C@H](O)Cn1c2cnc(nc2n(C2CCOCC2)c1=O)-c1cnc2ccc(cn12)C#N |r|
C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
C[C@H](c1ccc(F)cn1)n1c2nc(Nc3cc(F)c[nH]c3=O)ncc2[nH]c1=O |r|
Fc1ccc2ncc(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)n2c1 |r|
OCCn1c2cnc(nc2n(C2CCOCC2)c1=O)-c1cnc2ccc(F)cn12
C[C@]1(O)CC[C@@H](CC1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r,wU:1.0,5.8,(49.92,-2.33,;50.32,-3.82,;51.41,-2.73,;48.82,-4.14,;48.33,-5.6,;49.36,-6.74,;50.87,-6.43,;51.35,-4.97,;48.88,-8.2,;47.42,-8.67,;46.09,-7.91,;44.76,-8.68,;44.76,-10.22,;46.09,-10.99,;47.42,-10.21,;48.88,-10.69,;49.79,-9.44,;51.33,-9.44,;43.44,-7.91,;42.03,-8.54,;41,-7.4,;41.77,-6.06,;41.29,-4.6,;42.33,-3.46,;43.84,-3.78,;44.88,-2.64,;44.31,-5.25,;43.28,-6.39,)|
O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(Nc3ccc[nH]c3=O)ncc2[nH]c1=O |r|
O=c1[nH]c2cnc(nc2n1C1CCOCC1)-c1cnc2ccc(cn12)C#N
Cn1c2cnc(nc2n(C2CCOCC2)c1=O)-c1cnc2ccc(cn12)C#N
OCCn1c2cnc(nc2n(C2CCOCC2)c1=O)-c1cnc2ccc(cn12)C#N
OC[C@@H](O)Cn1c2cnc(nc2n(C2CCOCC2)c1=O)-c1cnc2ccc(cn12)C#N |r|
CC(C)(O)Cn1c2cnc(nc2n(C2CCOCC2)c1=O)-c1cnc2ccc(cn12)C#N
CC1(C)CC(CCO1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12
O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
C[C@H](c1ncc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Fc1cccc2[C@@H](CCOc12)n1c2nc(Nc3ccc[nH]c3=O)ncc2[nH]c1=O |r|
Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r|
Cc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r|
C[C@H](c1ccc(F)cn1)n1c2nc(Nc3ccc[nH]c3=O)ncc2[nH]c1=O |r|
O=C(CC#N)N1CCC[C@@H](C1)n1c2nc(Nc3ccc[nH]c3=O)ncc2[nH]c1=O |r|
Clc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@H]4CCCN(C4)C(=O)CC#N)c3n2)c1 |r|
O=C(CC#N)N1CCC[C@H](C1)n1c2nc(Nc3ccc[nH]c3=O)ncc2[nH]c1=O |r|
Fc1ccc2ncn(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)c2c1 |r|
CN(C)CCn1c2cnc(nc2n(C2CCOCC2)c1=O)-c1cnc2ccc(cn12)C#N
C[C@H](c1ccc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Clc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@H]4CC[C@H](CC#N)CC4)c3n2)c1 |r,wU:16.15,wD:19.19,(27.52,-36.41,;26.19,-37.18,;24.85,-36.4,;23.52,-37.18,;23.53,-38.72,;22.2,-39.49,;24.85,-39.48,;24.85,-41.02,;26.19,-41.79,;26.18,-43.33,;27.52,-44.1,;28.85,-43.33,;30.32,-43.8,;31.23,-42.55,;32.77,-42.55,;30.32,-41.31,;30.79,-39.84,;29.76,-38.71,;30.24,-37.25,;31.75,-36.93,;32.22,-35.47,;33.72,-35.15,;35.22,-34.83,;32.77,-38.07,;32.3,-39.53,;28.85,-41.78,;27.52,-41.02,;26.19,-38.71,)|
C[C@@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
COc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r|
COCCn1c2cnc(nc2n(C2CCOCC2)c1=O)-c1cnc2ccc(cn12)C#N
O=c1n(CCN2CCOCC2)c2cnc(nc2n1C1CCOCC1)-c1cnc2ccc(cn12)C#N
O[C@H]1CC[C@@H](CC1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r,wU:1.0,wD:4.7,(31.84,-2.51,;31.36,-3.97,;32.39,-5.12,;31.91,-6.58,;30.4,-6.89,;29.37,-5.76,;29.86,-4.29,;29.92,-8.35,;28.46,-8.83,;27.12,-8.06,;25.8,-8.83,;25.8,-10.38,;27.13,-11.15,;28.46,-10.37,;29.92,-10.84,;30.83,-9.6,;32.37,-9.6,;24.47,-8.06,;23.07,-8.69,;22.04,-7.55,;22.81,-6.22,;22.33,-4.75,;23.37,-3.61,;24.88,-3.93,;25.91,-2.79,;25.35,-5.4,;24.32,-6.54,)|
O=c1[nH]c2cnc(Nc3ccc[nH]c3=O)nc2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:18.20,wD:21.24,(13.29,-42.56,;11.75,-42.56,;10.84,-43.81,;9.37,-43.33,;8.04,-44.11,;6.7,-43.34,;6.71,-41.8,;5.37,-41.02,;5.37,-39.48,;6.71,-38.72,;6.71,-37.18,;5.38,-36.41,;4.04,-37.19,;4.05,-38.73,;2.72,-39.5,;8.04,-41.02,;9.37,-41.79,;10.84,-41.32,;11.31,-39.85,;10.28,-38.72,;10.76,-37.25,;12.27,-36.93,;12.74,-35.48,;14.24,-35.16,;15.74,-34.84,;13.29,-38.08,;12.82,-39.54,)|
Fc1ccc2ncc(-c3ncc4[nH]c(=O)n(C5CCOCC5)c4n3)n2c1
Fc1cccc2[C@@H](CCOc12)n1c2nc(Nc3cc(Cl)c[nH]c3=O)ncc2[nH]c1=O |r|
C[C@H](c1ccc(F)cn1)n1c2nc(Nc3cc(Cl)c[nH]c3=O)ncc2[nH]c1=O |r|
Cc1nccc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1
Cc1nccc(Nc2cc(NC3CCN(CC3)c3ccc(cc3)C#N)c(cn2)C(N)=O)n1
Cc1cnc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(cn2)C(N)=O)cn1
Cc1cncc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1
NC(=O)c1cnc(Nc2ccncn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N
NC(=O)c1cnc(Nc2ccccn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N
Cc1nccc(Nc2cc(N[C@@H]3CCN(C[C@@H]3F)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1 |r|
NC(=O)c1cnc(Nc2cnccn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N
Cc1nn(CCCCC#N)nc1-c1ncnc2[nH]ccc12
CC(=C)Cn1nc(C)c(n1)-c1ncnc2[nH]ccc12
Cc1nn(CCCC(F)(F)F)nc1-c1ncnc2[nH]ccc12
Cc1nn(CCCCCC#N)nc1-c1ncnc2[nH]ccc12
Cc1nn(CC2CC2)nc1-c1ncnc2[nH]ccc12
Cc1nn(CCCC#N)nc1-c1ncnc2[nH]ccc12
Cc1ccc(cc1)-c1cc2nccnc2c(NCCCCN)n1
Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r|
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCN2CCCCC2)c2cn[nH]c2c1
CCS(=O)(=O)Nc1cc(cc2[nH]ncc12)-c1ccc(O)c(C)c1
CS(=O)(=O)Nc1cccc2c1cn[nH]2
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)N(C)C)c2cn[nH]c2c1
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccn2)c2cn[nH]c2c1
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCC(=O)OC)c2cn[nH]c2c1
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCOC)c2cn[nH]c2c1
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C2CCCC2)c2cn[nH]c2c1
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C2CC2)c2cn[nH]c2c1
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1
CCS(=O)(=O)Nc1cc(cc2[nH]ncc12)-c1ccc(O)c(OC)c1
CCS(=O)(=O)Nc1cc(cc2[nH]ncc12)-c1ccc(O)c(Cl)c1
CCc1cc(O)ccc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1
CCS(=O)(=O)Nc1cc(cc2[nH]ncc12)-c1ccc(O)cc1C
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccc2Cl)c2cn[nH]c2c1
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCO)c2cn[nH]c2c1
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C(C)C)c2cn[nH]c2c1
CCS(=O)(=O)Nc1cc(cc2[nH]ncc12)-c1ccc(O)cc1Cl
CS(=O)(=O)Nc1cc(cc2[nH]ncc12)-c1ccc(O)cc1
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCN2CCN(C)CC2)c2cn[nH]c2c1
CCc1cc(O)c(F)cc1-c1cc(NP(=O)(CC)CC)c2cn[nH]c2c1
CCS(=O)(=O)Nc1cc(cc2[nH]ncc12)-c1c(C)cc(O)cc1C
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC2CCC2)c2cn[nH]c2c1
CCS(=O)(=O)Nc1cc(cc2[nH]ncc12)-c1ccc(O)c(F)c1
CCc1cc(O)c(F)cc1-c1cc(N(C)S(C)(=O)=O)c2cn[nH]c2c1
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2cccnc2)c2cn[nH]c2c1
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C(F)(F)F)c2cn[nH]c2c1
CCc1cc(O)c(F)cc1-c1cc(NS(C)(=O)=O)c2cn[nH]c2c1
CCS(=O)(=O)Nc1cc(cc2[nH]ncc12)-c1ccc(O)cc1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
c1nnnn1-c1ccccc1-c1cc(on1)-c1ccc2[nH]ncc2c1
Nc1n[nH]c2ccc(NC(=O)c3cccc(Cl)c3)cc12
O=C(Nc1ccc2[nH]ncc2c1)c1ccccc1Cn1cnnn1
Nc1n[nH]c2ccc(NC(=O)c3ccccc3)cc12
Nc1n[nH]c2ccc(cc12)C(=O)Nc1cc(Cl)ccc1Cl
CCNc1ccccc1C(=O)Nc1ccc2[nH]nc(N)c2c1
CCNc1ccccc1C(=O)Nc1ccc2[nH]ncc2c1
Clc1cccc(c1C(=O)Nc1ccc2[nH]ncc2c1)-n1cnnn1
Nc1n[nH]c2ccc(cc12)-c1cnc(s1)-c1ccccc1-n1cnnn1
c1nnnn1-c1ccccc1-c1nc(cs1)-c1ccc2[nH]ncc2c1
O=C(Nc1ccc2[nH]ncc2c1)c1cccc(c1)-n1cnnn1
O=C(Nc1ccc2[nH]ncc2c1)c1ccccc1-n1cnnn1
Nc1n[nH]c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc12
Nc1n[nH]c2ccc(cc12)C(=O)Nc1ccccc1
Nc1n[nH]c2ccc(cc12)C(=O)Nc1ccccc1Cl
c1nnnn1-c1ccccc1-c1cn(nn1)-c1ccc2[nH]ncc2c1
Nc1n[nH]c2ccc(NC(=O)c3ccccc3Cl)cc12
Nc1n[nH]c2ccc(cc12)C(=O)Nc1c(Cl)cccc1Cl
Clc1ccccc1C(=O)Nc1ccc2[nH]ncc2c1
Nc1n[nH]c2ccc(NC(=O)c3ccccc3-n3cnnn3)cc12
Clc1cccc(c1-c1nc(cs1)-c1ccc2[nH]ncc2c1)-n1cnnn1
Nc1n[nH]c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc12
Cn1cc(Nc2cc(NCc3ccc(NC(=O)C=C)cc3)ncn2)cn1
C\C=C\C(=O)Nc1cccc(CNc2cc(Nc3ccc(cc3)N3CCN(C)CC3)ncn2)c1
C\C=C\C(=O)Nc1ccc(CNc2cc(Nc3cnn(C)c3)ncn2)cc1
Fc1ccc(Nc2cc(NCc3cccc(NC(=O)C=C)c3)ncn2)cc1
OCCn1cc(Nc2cc(NCc3cccc(NC(=O)C=C)c3)ncn2)cn1
OCCn1cc(Nc2cc(NCc3ccc(NC(=O)C=C)cc3)ncn2)cn1
COCCn1cc(Nc2cc(NCc3ccc(NC(=O)C=C)cc3)ncn2)cn1
C=CC(=O)Nc1cccc(CNc2cc(Nc3ccc(cc3)N3CCOCC3)ncn2)c1
CN1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(NC#N)c3)ncn2)cc1
C\C=C\C(=O)Nc1ccc(CNc2cc(Nc3ccc(cc3)N3CCN(C)CC3)ncn2)cc1
CN1CCN(CC1)c1ccc(Nc2cc(NCc3ccc(NC(=O)CC#N)cc3)ncn2)cc1
C\C=C\C(=O)Nc1ccc(CNc2cc(Nc3ccc(cc3)N3CCOCC3)ncn2)cc1
O=C(CC#N)Nc1ccc(CNc2cc(Nc3ccc(cc3)N3CCOCC3)ncn2)cc1
FC(F)(F)C(=O)Nc1cccc(CNc2cc(Nc3ccc(cc3)N3CCOCC3)ncn2)c1
COCCn1cc(Nc2cc(NCc3cccc(NC(=O)CC#N)c3)ncn2)cn1
COCCn1cc(Nc2cc(NCc3cccc(NC#N)c3)ncn2)cn1
CN1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(NC(=O)C=C)c3)ncn2)cc1
FC(F)(F)C(=O)Nc1ccc(CNc2cc(Nc3ccc(cc3)N3CCOCC3)ncn2)cc1
Cn1cc(Nc2cc(NCc3cccc(NC(=O)C=C)c3)ncn2)cn1
CN1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(NC(=O)CC#N)c3)ncn2)cc1
CN1CCN(CC1)c1ccc(Nc2cc(NCc3ccc(NC#N)cc3)ncn2)cc1
N#CNc1ccc(CNc2cc(Nc3ccc(cc3)N3CCOCC3)ncn2)cc1
C\C=C\C(=O)Nc1cccc(CNc2cc(Nc3cnn(C)c3)ncn2)c1
CCC(=O)N1CCC(CC1)c1ccc(Nc2cc(NCc3cccc(c3)-c3ccncc3)c(cn2)C(N)=O)cc1
C=CC(=O)Nc1cccc(CNc2cc(Nc3ccccc3)ncn2)c1
COCCn1cc(Nc2cc(NCc3cccc(NC(=O)C=C)c3)ncn2)cn1
CN1CCN(CC1)c1ccc(Nc2cc(NCc3ccc(NC(=O)C=C)cc3)ncn2)cc1
C=CC(=O)Nc1ccc(CNc2cc(Nc3ccc(cc3)N3CCOCC3)ncn2)cc1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
c1nn2cccnc2c1-c1nc2ccccc2s1
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
COc1cnc(Nc2ccc3B(O)OCc3c2)nc1Oc1cccc(NC(=O)C=C)c1
OB(O)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)cc1
CC1(C)OB(O)c2cc(Nc3ncc(c(Nc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)ccc12
OB1OCCc2ccc(Nc3ncc(c(Nc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)cc12
OB1OCc2cc(Nc3ncc(c(Nc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)ccc12
OB1OCc2ccc(Nc3ncc(c(Nc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)cc12
Cc1[nH]nc2[nH]c(=O)cc(C(F)F)c12
Cc1[nH]nc2[nH]c(=O)cc(C)c12
FC(F)c1cc(=O)[nH]c2n[nH]cc12
Cc1n(C)nc2[nH]c(=O)cc(C)c12
Cc1nn(C)c2nc(O)cc(C)c12
Cc1c2c(n[nH]1)NC(=O)C=C2c3ccccc3
Cc1[nH]nc2[nH]c(=O)cc(C3CCCCC3)c12
Cc1[nH]nc2[nH]c(=O)cc(C3CCCC3)c12
Cc1[nH]nc2[nH]c(=O)cc(CC3CCC3)c12
C[C@@H]1CCCC[C@@H]1c1cc(=O)[nH]c2n[nH]c(C)c12 |r|
[H][C@]12CC[C@]([H])(C1)[C@@H](C2)c1cc(=O)[nH]c2n[nH]c(C)c12 |r|
[H][C@]12CC[C@]([H])(C1)[C@H](C2)c1cc(=O)[nH]c2n[nH]c(C)c12 |r|
Cc1[nH]nc2[nH]c(=O)cc(C3CC4CCC3CC4)c12 |(14.47,-21.16,;14.94,-22.62,;14.03,-23.86,;14.94,-25.12,;16.41,-24.64,;17.75,-25.4,;19.08,-24.64,;20.42,-25.41,;19.08,-23.09,;17.75,-22.31,;17.75,-20.77,;16.42,-20.01,;16.43,-18.46,;17.77,-17.7,;19.09,-18.48,;19.09,-20.01,;17.55,-20,;17.97,-18.46,;16.41,-23.09,)|
O=c1cc(C2CCCCC2)c2c[nH]nc2[nH]1
CCc1[nH]nc2[nH]c(=O)cc(C3CCCCC3)c12
O=c1cc(C2CCCCC2)c2c([nH]nc2[nH]1)C1CC1
Cc1[nH]nc2[nH]c(=O)c(CO)c(C3CCCCC3)c12
Cc1[nH]nc2[nH]c(=O)c(CCO)c(C3CCCCC3)c12
Cc1[nH]nc2[nH]c(=O)c(C#N)c(C3CCCCC3)c12
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC#N)CC3)c12 |r,wU:10.9,wD:13.13,(4.89,-10.9,;5.37,-12.37,;4.45,-13.61,;5.37,-14.86,;6.84,-14.39,;8.17,-15.15,;9.5,-14.39,;10.84,-15.16,;9.5,-12.84,;8.17,-12.06,;8.18,-10.52,;6.85,-9.75,;6.86,-8.21,;8.2,-7.44,;8.2,-5.9,;9.54,-5.14,;10.88,-4.38,;9.52,-8.22,;9.52,-9.75,;6.84,-12.84,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CCC#N)CC3)c12 |r,wU:10.9,wD:13.13,(16.83,-11.24,;17.3,-12.71,;16.39,-13.95,;17.3,-15.2,;18.77,-14.73,;20.1,-15.49,;21.43,-14.73,;22.77,-15.5,;21.43,-13.18,;20.1,-12.4,;20.11,-10.86,;18.78,-10.09,;18.79,-8.55,;20.13,-7.78,;20.14,-6.24,;18.81,-5.47,;18.82,-3.93,;18.82,-2.39,;21.46,-8.56,;21.45,-10.09,;18.77,-13.18,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)C#N)c12 |r,wU:10.9,wD:13.16,(28.33,-10.82,;28.8,-12.28,;27.89,-13.53,;28.8,-14.78,;30.27,-14.3,;31.6,-15.06,;32.93,-14.3,;34.27,-15.07,;32.93,-12.76,;31.6,-11.98,;31.61,-10.44,;30.28,-9.67,;30.29,-8.13,;31.63,-7.36,;32.95,-8.14,;32.95,-9.67,;31.64,-5.83,;31.64,-4.3,;30.27,-12.76,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)C3CC3)c12 |r,wU:10.9,wD:13.16,(41.39,-11.13,;41.86,-12.59,;40.95,-13.84,;41.86,-15.09,;43.33,-14.61,;44.67,-15.37,;46,-14.61,;47.34,-15.38,;46,-13.07,;44.67,-12.28,;44.68,-10.74,;43.35,-9.97,;43.36,-8.43,;44.69,-7.67,;46.02,-8.44,;46.02,-9.98,;44.7,-6.13,;43.37,-5.35,;42.04,-6.11,;43.38,-3.81,;44.16,-2.49,;42.62,-2.48,;43.33,-13.07,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)C(=O)NC3CC3)c12 |r,wU:10.9,wD:13.16,(52.09,-9.68,;52.57,-11.15,;51.65,-12.39,;52.57,-13.64,;54.04,-13.17,;55.37,-13.93,;56.7,-13.17,;58.04,-13.94,;56.7,-11.62,;55.37,-10.84,;55.38,-9.3,;54.05,-8.53,;54.06,-6.99,;55.4,-6.22,;56.72,-7,;56.72,-8.53,;55.4,-4.68,;56.74,-3.92,;54.08,-3.91,;52.74,-4.67,;51.2,-4.66,;51.97,-6,;54.04,-11.62,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c12 |r,wU:10.9,wD:13.16,(60.58,-12.25,;61.06,-13.71,;60.14,-14.96,;61.06,-16.21,;62.53,-15.73,;63.86,-16.49,;65.19,-15.73,;66.53,-16.5,;65.19,-14.19,;63.86,-13.4,;63.87,-11.86,;62.54,-11.09,;62.55,-9.55,;63.89,-8.79,;65.21,-9.56,;65.21,-11.1,;63.89,-7.25,;62.57,-6.47,;61.23,-7.23,;62.57,-4.93,;63.82,-4.03,;63.35,-2.56,;61.81,-2.56,;61.33,-4.02,;62.53,-14.19,)|
Cc1c2c(n[nH]1)NC(=O)C=C2C3CCC(CC3)NC(=O)[C@@H]4CC4(F)F
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)[C@H]3CC3(F)F)c12 |r,wU:10.9,wD:13.16,19.19,(17.05,-29.9,;17.52,-31.36,;16.61,-32.61,;17.52,-33.86,;18.99,-33.38,;20.33,-34.14,;21.65,-33.38,;22.99,-34.15,;21.65,-31.84,;20.33,-31.05,;20.34,-29.51,;19.01,-28.75,;19.02,-27.21,;20.35,-26.44,;21.68,-27.22,;21.67,-28.75,;20.36,-24.9,;19.03,-24.13,;17.7,-24.89,;19.04,-22.59,;19.81,-21.26,;18.26,-21.25,;16.73,-21.25,;17.49,-19.92,;18.99,-31.84,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)OC(=O)[C@@H]3CC3(F)F)c12 |r,wU:10.9,19.19,wD:13.16,(27.12,-30.36,;27.6,-31.82,;26.69,-33.06,;27.6,-34.31,;29.07,-33.84,;30.4,-34.6,;31.73,-33.84,;33.06,-34.61,;31.73,-32.3,;30.4,-31.51,;30.41,-29.97,;29.08,-29.21,;29.09,-27.66,;30.42,-26.9,;31.75,-27.68,;31.75,-29.21,;30.43,-25.36,;29.11,-24.59,;27.77,-25.35,;29.11,-23.05,;29.88,-21.72,;28.34,-21.71,;26.8,-21.71,;27.57,-20.38,;29.07,-32.3,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NS(=O)(=O)C3CC3)c12 |r,wU:10.9,wD:13.16,(36.88,-30.04,;37.35,-31.51,;36.44,-32.75,;37.35,-34,;38.82,-33.53,;40.15,-34.29,;41.48,-33.53,;42.82,-34.3,;41.48,-31.98,;40.15,-31.2,;40.16,-29.66,;38.83,-28.89,;38.84,-27.35,;40.18,-26.59,;41.5,-27.36,;41.5,-28.89,;40.18,-25.05,;38.86,-24.27,;38.08,-25.59,;37.32,-24.26,;38.86,-22.74,;38.09,-21.4,;39.63,-21.41,;38.82,-31.98,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NS(=O)(=O)CC3CCC3)c12 |r,wU:10.9,wD:13.16,(47.71,-29.77,;48.18,-31.23,;47.27,-32.48,;48.18,-33.73,;49.65,-33.26,;50.99,-34.02,;52.32,-33.26,;53.66,-34.03,;52.32,-31.71,;50.99,-30.92,;51,-29.38,;49.67,-28.62,;49.67,-27.07,;51.01,-26.31,;52.34,-27.08,;52.34,-28.62,;51.02,-24.77,;49.69,-23.98,;48.91,-25.31,;48.15,-23.97,;49.7,-22.45,;48.37,-21.67,;47.98,-20.19,;46.49,-20.58,;46.88,-22.07,;49.65,-31.71,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](N)CC3)c12 |r,wU:10.9,wD:13.13,(57.4,-28.32,;57.87,-29.79,;56.96,-31.03,;57.87,-32.28,;59.34,-31.81,;60.68,-32.57,;62,-31.81,;63.34,-32.58,;62,-30.26,;60.68,-29.48,;60.69,-27.94,;59.36,-27.17,;59.37,-25.63,;60.7,-24.87,;60.71,-23.33,;62.03,-25.64,;62.02,-27.17,;59.34,-30.26,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](O)CC3)c12 |r,wU:10.9,wD:13.13,(66.08,-28.71,;66.55,-30.17,;65.64,-31.42,;66.55,-32.67,;68.02,-32.19,;69.35,-32.95,;70.68,-32.19,;72.02,-32.96,;70.68,-30.65,;69.35,-29.87,;69.36,-28.33,;68.04,-27.56,;68.04,-26.02,;69.38,-25.25,;69.39,-23.72,;70.71,-26.03,;70.7,-27.56,;68.02,-30.65,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(C4)C#N)CC3)c12 |r,wU:10.9,wD:13.13,(5.37,-16.03,;5.84,-17.49,;4.93,-18.74,;5.84,-19.99,;7.32,-19.52,;8.65,-20.28,;9.98,-19.52,;11.32,-20.29,;9.98,-17.97,;8.65,-17.18,;8.66,-15.64,;7.33,-14.87,;7.34,-13.33,;8.68,-12.56,;8.68,-11.02,;7.36,-10.25,;6.02,-11.01,;7.36,-8.71,;8.45,-7.63,;7.37,-6.54,;6.27,-7.62,;7.38,-5,;7.39,-3.46,;10.01,-13.34,;10,-14.87,;7.32,-17.97,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C4)C#N)CC3)c12 |r,wU:10.9,wD:13.13,(20.46,-18.84,;20.93,-20.3,;20.02,-21.55,;20.93,-22.8,;22.41,-22.33,;23.74,-23.09,;25.07,-22.33,;26.41,-23.1,;25.07,-20.78,;23.74,-20,;23.75,-18.45,;22.42,-17.69,;22.43,-16.14,;23.77,-15.38,;23.77,-13.84,;22.44,-13.06,;21.11,-13.82,;22.45,-11.52,;23.7,-10.62,;23.23,-9.16,;21.69,-9.15,;21.21,-10.61,;20.81,-7.9,;19.91,-6.65,;25.09,-16.15,;25.09,-17.69,;22.41,-20.78,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(Cc5ccccc5)C4)CC3)c12 |r,wU:10.9,wD:13.13,(29.55,-18.08,;30.02,-19.54,;29.11,-20.79,;30.02,-22.04,;31.49,-21.57,;32.83,-22.33,;34.16,-21.57,;35.5,-22.34,;34.16,-20.02,;32.83,-19.23,;32.84,-17.69,;31.51,-16.92,;31.51,-15.38,;32.85,-14.61,;32.86,-13.07,;31.53,-12.3,;30.19,-13.06,;31.54,-10.76,;32.63,-9.68,;31.54,-8.58,;31.55,-7.05,;32.89,-6.29,;34.22,-7.07,;35.55,-6.31,;35.56,-4.77,;34.23,-3.99,;32.89,-4.76,;30.45,-9.67,;34.18,-15.39,;34.18,-16.92,;31.49,-20.02,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C4)c4ccccc4)CC3)c12 |r,wU:10.9,wD:13.13,(43.22,-17.37,;43.69,-18.84,;42.78,-20.08,;43.69,-21.34,;45.16,-20.86,;46.5,-21.62,;47.83,-20.86,;49.17,-21.63,;47.83,-19.31,;46.5,-18.53,;46.51,-16.98,;45.18,-16.22,;45.19,-14.67,;46.53,-13.9,;46.53,-12.36,;45.2,-11.59,;43.87,-12.35,;45.21,-10.05,;46.46,-9.15,;45.99,-7.68,;44.45,-7.68,;43.97,-9.14,;43.57,-6.43,;44.21,-5.04,;43.32,-3.79,;41.8,-3.93,;41.16,-5.34,;42.05,-6.58,;47.85,-14.68,;47.85,-16.22,;45.16,-19.31,)|
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C)(C)CC4)CC3)c12 |r,wU:10.9,wD:13.13,(59.45,-17.29,;59.92,-18.75,;59.01,-20,;59.92,-21.25,;61.39,-20.77,;62.72,-21.54,;64.05,-20.77,;65.39,-21.54,;64.05,-19.23,;62.72,-18.44,;62.73,-16.9,;61.4,-16.14,;61.41,-14.59,;62.75,-13.83,;62.76,-12.29,;61.43,-11.51,;60.09,-12.28,;61.44,-9.97,;62.78,-9.21,;62.79,-7.68,;61.46,-6.9,;61.48,-5.36,;60.12,-6.13,;60.12,-7.66,;60.11,-9.2,;64.08,-14.61,;64.07,-16.14,;61.39,-19.23,)|
[H][C@]12C[C@@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@]([H])(C[C@H]1CC#N)C2 |r|
[H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@@H]1CC#N)C2 |r|
[H][C@]12C[C@@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@]([H])(C[C@@H]1CC#N)C2 |r|
[H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@H]1CC#N)C2 |r|
CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1
CCNC(=O)c1ccc(Nc2nccc(n2)N2CC3CCC(C2)N3C(=O)C2CC2)cc1
OCCn1cc(Nc2ncc(F)c(n2)N2CC3CCC(C2)N3C(=O)C2CC2)cn1
CCNC(=O)c1ccc(Nc2nccc(n2)N2CC3CC(C2)N3C(=O)C2CC2)cc1
c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)C5CC5)F
[H][C@@]12C[C@@]1(CN(C2)c1nc(Nc2cnn(CCO)c2)ncc1F)NC(=O)C1CC1 |r|
[H][C@@]12CN(C[C@]1(NC(=O)C1CC1)[C@@H]2C)c1nc(Nc2cnn(CCO)c2)ncc1F |r|
c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@@H]5C[C@H]5C#N)F
c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@H]5C[C@@H]5C#N)F
[H][C@@]12CN(C[C@]1(NC(=O)[C@@H]1C[C@H]1C#N)[C@@H]2C)c1nc(Nc2cnn(CCO)c2)ncc1F |r|
[H][C@@]12CN(C[C@]1(NC(=O)[C@H]1C[C@@H]1C#N)[C@@H]2C)c1nc(Nc2cnn(CCO)c2)ncc1F |r|
[H][C@@]12CN(C[C@]1(NC(=O)[C@H]1C[C@@H]1C#N)[C@@H]2C)c1nc(Nc2cnn(C)c2)ncc1F |r|
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCC#N)n2n1)C1CC1
FC(F)(F)CNC(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
FC1(F)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CC(C3)C#N)n2n1)C1CC1
FC1(F)CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
OC(C(=C)C#N)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(CC#N)N1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |c:8|
O=C(Nc1nc2cccc(C3=CCN(CC3)C(=O)NCC#N)n2n1)C1CC1 |t:10|
FC(F)(F)CNC(=O)N1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |c:11|
FC1(F)CC1C(=O)N1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |c:11|
C=CC(=O)N1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |c:7|
O=C(Nc1nc2cccc(C3=CCN(CC3)C(=O)C3(CC3)C#N)n2n1)C1CC1 |t:10|
FC(F)(F)C1(CC1)C(=O)N1CCC(=CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |c:13|
[H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CNC(=O)COC2)n3)c1 |r|
[H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCNC(=O)COC2)n3)c1 |r|
[H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCCNC(=O)COC2)n3)c1 |r|
[H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COC\C=C\COC2)n3)c1 |r,t:28|
[H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COC\C=C/COC2)n3)c1 |r,c:28|
[H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COCCCCOC2)n3)c1 |r|
OCCn1cc(Nc2ncc(Cl)c(NCc3cc(F)ccc3F)n2)cn1
COc1cc(ccc1OCCCN1CCOCC1)-c1cnc2cccc(-c3cc(F)c(CN4CCS(=O)(=O)CC4)c(F)c3)c2n1
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2NCCc12 |r|
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1cc(F)ccc1Cl |r|
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)[S+]([O-])NC(C)(C)C
C[C@H]1CN([C@]12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N
COc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cnn4c3nccc4
CCOc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Clc1ccc(OC2CC2)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
CC(C)Oc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12
FC(F)(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
CSc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12
FC(F)Sc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Cc1nc(c(NC(=O)c2cnn3cccnc23)[nH]1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2cccnn12
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2ccc(nn12)C#C
COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2cccnc12
COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2[nH]cnc12
COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2[nH]nnc12
COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2c[nH]nc12
FC(F)Oc1ccccc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12)C#N
FC(F)Oc1ccc(F)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Cc1ccc(OC(F)F)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
CCc1ccc(OC(F)F)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Br)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(I)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COc1ccc(Cl)c(F)c1-c1n[nH]cc1NC(=O)c1cnn2cccnc12 |(10.69,-35.34,;9.92,-34.01,;10.69,-32.68,;12.22,-32.67,;12.99,-31.34,;12.2,-30.01,;12.96,-28.67,;10.67,-30.03,;9.89,-28.7,;9.92,-31.35,;8.38,-31.36,;7.89,-32.82,;6.34,-32.81,;5.88,-31.34,;7.13,-30.44,;7.15,-28.9,;5.81,-28.11,;4.47,-28.88,;5.82,-26.57,;4.58,-25.65,;5.07,-24.19,;6.61,-24.2,;7.64,-23.08,;9.14,-23.4,;9.61,-24.88,;8.56,-26.01,;7.07,-25.67,)|
FC(F)Oc1ccc(Cl)c(F)c1-c1n[nH]cc1NC(=O)c1cnn2cccnc12 |(22.91,-36.82,;23.68,-35.49,;25.22,-35.48,;22.91,-34.15,;23.67,-32.82,;25.21,-32.82,;25.98,-31.48,;25.19,-30.15,;25.95,-28.81,;23.66,-30.16,;22.88,-28.84,;22.91,-31.49,;21.37,-31.5,;20.87,-32.96,;19.33,-32.95,;18.86,-31.48,;20.12,-30.58,;20.13,-29.04,;18.8,-28.25,;17.45,-29.02,;18.81,-26.71,;17.56,-25.79,;18.05,-24.33,;19.59,-24.34,;20.63,-23.21,;22.12,-23.54,;22.59,-25.01,;21.55,-26.14,;20.05,-25.81,)|
COc1c(F)cc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COc1cc(F)c(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
COc1cc(O)c(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Oc1cc(OC(F)F)c(cc1Cl)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Cn1ccc(n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(31.83,-17.42,;30.3,-17.58,;29.53,-18.92,;28.02,-18.6,;27.86,-17.07,;29.27,-16.44,;26.53,-16.3,;25.2,-17.07,;23.86,-16.3,;22.4,-16.77,;21.49,-15.53,;22.4,-14.28,;23.86,-14.76,;25.2,-13.99,;26.53,-14.76,;25.2,-12.45,;26.44,-11.54,;25.97,-10.07,;24.43,-10.07,;23.95,-11.54,;23.53,-8.83,;22.75,-10.16,;21.21,-10.14,;19.67,-10.13,;22.01,-8.59,;22.25,-7.07,;23.77,-7.31,;21.35,-5.82,;20.44,-4.58,)|
Cn1ccc(n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,25.31,(18.97,-17.08,;17.44,-17.24,;16.67,-18.58,;15.17,-18.25,;15.01,-16.73,;16.42,-16.1,;13.67,-15.96,;12.34,-16.73,;11.01,-15.96,;9.54,-16.43,;8.64,-15.19,;9.54,-13.94,;11.01,-14.42,;12.34,-13.65,;13.67,-14.42,;12.34,-12.11,;13.59,-11.19,;13.11,-9.73,;11.57,-9.73,;11.09,-11.19,;10.68,-8.49,;9.89,-9.82,;8.35,-9.8,;6.81,-9.79,;10.92,-6.97,;9.4,-6.73,;9.15,-8.25,;8.49,-5.48,;7.59,-4.24,)|
N#CC[C@@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cc[nH]n1 |r,wU:3.9,wD:5.7,(19.67,-10.13,;21.21,-10.14,;22.75,-10.16,;23.53,-8.83,;22.01,-8.59,;22.25,-7.07,;23.77,-7.31,;21.35,-5.82,;20.44,-4.58,;24.43,-10.07,;23.95,-11.54,;25.2,-12.45,;26.44,-11.54,;25.97,-10.07,;25.2,-13.99,;26.53,-14.76,;26.53,-16.3,;25.2,-17.07,;23.86,-16.3,;22.4,-16.77,;21.49,-15.53,;22.4,-14.28,;23.86,-14.76,;27.86,-17.07,;28.02,-18.6,;29.53,-18.92,;30.3,-17.58,;29.27,-16.44,)|
N#CC[C@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cc[nH]n1 |r,wU:3.9,5.7,(6.81,-9.79,;8.35,-9.8,;9.89,-9.82,;10.68,-8.49,;10.92,-6.97,;9.4,-6.73,;9.15,-8.25,;8.49,-5.48,;7.59,-4.24,;11.57,-9.73,;11.09,-11.19,;12.34,-12.11,;13.59,-11.19,;13.11,-9.73,;12.34,-13.65,;13.67,-14.42,;13.67,-15.96,;12.34,-16.73,;11.01,-15.96,;9.54,-16.43,;8.64,-15.19,;9.54,-13.94,;11.01,-14.42,;15.01,-16.73,;15.17,-18.25,;16.67,-18.58,;17.44,-17.24,;16.42,-16.1,)|
N#CC[C@@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cn[nH]c1 |r,wU:3.9,wD:5.7,(20.45,-9.68,;21.99,-9.68,;23.53,-9.7,;24.31,-8.37,;22.79,-8.13,;23.03,-6.61,;24.55,-6.85,;22.13,-5.37,;21.22,-4.12,;25.21,-9.61,;24.73,-11.08,;25.98,-11.99,;27.22,-11.08,;26.75,-9.61,;25.98,-13.53,;27.31,-14.3,;27.31,-15.84,;25.98,-16.61,;24.64,-15.84,;23.18,-16.31,;22.27,-15.07,;23.18,-13.82,;24.64,-14.3,;28.64,-16.61,;28.8,-18.14,;30.3,-18.46,;31.07,-17.12,;30.05,-15.98,)|
N#CC[C@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cn[nH]c1 |r,wU:3.9,5.7,(6.81,-9.79,;8.35,-9.8,;9.89,-9.82,;10.68,-8.49,;10.92,-6.97,;9.4,-6.73,;9.15,-8.25,;8.49,-5.48,;7.59,-4.24,;11.57,-9.73,;11.09,-11.19,;12.34,-12.11,;13.59,-11.19,;13.11,-9.73,;12.34,-13.65,;13.67,-14.42,;13.67,-15.96,;12.34,-16.73,;11.01,-15.96,;9.54,-16.43,;8.64,-15.19,;9.54,-13.94,;11.01,-14.42,;15.01,-16.73,;15.17,-18.25,;16.67,-18.58,;17.44,-17.24,;16.42,-16.1,)|
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CCO)C1
CC(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC2CC2)C1
CCN1CC(CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC(F)(F)F)C1
Cn1cc(Nc2cc(ncn2)-c2cccc(NC(=O)C=C)c2)cn1
COCCn1cc(Nc2cc(ncn2)-c2cccc(NC(=O)C=C)c2)cn1
C=CC(=O)Nc1cccc(c1)-c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1
CN(C)CCn1cc(Nc2cc(ncn2)-c2cccc(NC(=O)C=C)c2)cn1
CNC(=O)Cn1cc(Nc2cc(ncn2)-c2cccc(NC(=O)C=C)c2)cn1
COCCn1cc(Nc2nccc(n2)-c2cccc(NC(=O)C=C)c2)cn1
C=CC(=O)Nc1cccc(c1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
COCCn1cc(Nc2cc(ncn2)-c2ccc(NC(=O)C=C)cc2)cn1
C=CC(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1
COCCn1cc(Nc2nccc(n2)-c2ccc(NC(=O)C=C)cc2)cn1
C=CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
C\C=C\C(=O)Nc1cccc(c1)-c1cc(Nc2cnn(C)c2)ncn1
Cn1cc(Nc2cc(ncn2)-c2cccc(NC(=O)CC#N)c2)cn1
COCCn1cc(Nc2cc(ncn2)-c2cccc(NC(=O)\C=C\C)c2)cn1
COCCn1cc(Nc2cc(ncn2)-c2cccc(NC(=O)CC#N)c2)cn1
C\C=C\C(=O)Nc1cccc(c1)-c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1
O=C(CC#N)Nc1cccc(c1)-c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1
C\C=C\C(=O)Nc1cccc(c1)-c1cc(Nc2cnn(CCN(C)C)c2)ncn1
C\C=C\C(=O)Nc1cccc(c1)-c1cc(Nc2cnn(CCO)c2)ncn1
OCCn1cc(Nc2cc(ncn2)-c2cccc(NC(=O)CC#N)c2)cn1
Cn1cc(Nc2cc(ncn2)-c2cccc(NC(=O)CNC(=O)CC#N)c2)cn1
COCCn1cc(Nc2cc(ncn2)-c2cccc(NC(=O)CNC(=O)C=C)c2)cn1
COCCn1cc(Nc2cc(ncn2)-c2cccc(NC(=O)CNC(=O)\C=C\C)c2)cn1
C=CC(=O)NCC(=O)Nc1cccc(c1)-c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1
C\C=C\C(=O)NCC(=O)Nc1cccc(c1)-c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1
O=C(CNC(=O)CC#N)Nc1cccc(c1)-c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1
CNC(=O)Cn1cc(Nc2cc(ncn2)-c2cccc(NC(=O)CNC(=O)CC#N)c2)cn1
O=C(CC#N)Nc1cccc(c1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
COCCn1cc(Nc2cc(ncn2)-c2ccc(NC(=O)\C=C\C)cc2)cn1
COCCn1cc(Nc2cc(ncn2)-c2ccc(NC(=O)CC#N)cc2)cn1
C\C=C\C(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1
O=C(CC#N)Nc1ccc(cc1)-c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1
COCCn1cc(Nc2nccc(n2)-c2ccc(NC(=O)\C=C\C)cc2)cn1
COCCn1cc(Nc2nccc(n2)-c2ccc(NC(=O)CC#N)cc2)cn1
C\C=C\C(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
O=C(CC#N)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CC[C@H]1CN(C[C@H]1C1C=NC2=CN=C3NC=CC3N12)C(=O)NCC(F)(F)F |r,c:9,16,t:11,13|
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(OC)cc2)CC1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(OC)c2)CC1
COc1cccc(CN2CCC(CC2)Nc2c(cnc3[nH]ccc23)C(N)=O)c1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2OC)CC1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(OC)c(OC)c2)CC1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(c2)C#N)CC1
O=C(NC1CC1)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1
COc1cccc(CN2CCC(CC2)Nc2c(cnc3[nH]ccc23)C(=O)NC2CC2)c1
O=C(NC1CCCC1)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1
COc1cccc(CN2CCC(CC2)Nc2c(cnc3[nH]ccc23)C(=O)NC2CCCC2)c1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccccc1
CNC(=O)c1cnc2[nH]ccc2c1NCC1CCN(Cc2ccccc2)CC1
CNC(=O)c1cnc2[nH]ccc2c1NCC1CCN(Cc2cccc(Cl)c2)CC1
CNC(=O)c1cnc2[nH]ccc2c1NCC1CCN(Cc2ccc(Cl)cc2)CC1
CNC(=O)c1cnc2[nH]ccc2c1NCC1CCN(Cc2cccc(OC)c2)CC1
CNC(=O)c1cnc2[nH]ccc2c1NCC1CCN(Cc2ccc(OC)cc2)CC1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)C1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(Cl)c2)C1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(Cl)cc2)C1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(OC)c2)C1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(OC)cc2)C1
CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccccc1 |TLB:22:21:14.15.20:17.18|
CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1cccc(Cl)c1 |TLB:22:21:14.15.20:17.18|
CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1 |TLB:22:21:14.15.20:17.18|
CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1cccc(OC)c1 |TLB:22:21:14.15.20:17.18|
CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccc(OC)cc1 |TLB:22:21:14.15.20:17.18|
CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccc(cc1)C#N |TLB:22:21:14.15.20:17.18|
CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2ccccc2)CC1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2cccc(Cl)c2)CC1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2ccc(Cl)cc2)CC1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2cccc(OC)c2)CC1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2ccc(OC)cc2)CC1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2ccc(cc2)C#N)CC1
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)[C@@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)[C@@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(cc2)C#N)[C@H](C)C1 |r|
C[C@@H]1C[C@@H](CCN1Cc1cccc(Cl)c1)Nc1c(cnc2[nH]ccc12)C(N)=O |r|
COc1cccc(CN2CC[C@H](C[C@H]2C)Nc2c(cnc3[nH]ccc23)C(N)=O)c1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)C[C@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)C[C@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)C[C@@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(Cc2ccc(Cl)cc2)[C@@H](C)C1 |r|
Cn1cc(Nc2nccc(n2)N2CC3CCC(C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r|
[H][C@]12C[C@]([H])(C[C@H](CC1)Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)N2CCC#N |r,TLB:28:27:2:8.6.7.5|
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CCN(Cc3c2)C(=O)\C=C\CN(C)C)ncc1C
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CCN(Cc3c2)C(=O)\C=C\C(=O)c2ccc(C)cc2)ncc1C
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CCN(Cc3c2)C(=O)\C=C\C(=O)c2ccccc2)ncc1C
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)\C=C\CN(C)C)ncc1C
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)\C=C\C(=O)c2ccc(C)cc2)ncc1C
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)\C=C\C(=O)c2ccccc2)ncc1C
COC(=O)\C=C\CN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CC#N)CCc3c2)ncc1C
C[C@@H](Nc1ccc2[nH]nc(\C=C\c3ccccn3)c2c1)c1cc(F)cc(F)c1 |r|
[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-n1c(cc2cnc3[nH]ccc3c12)-c1ccc(CO)o1
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-n1c(cc2cnc3[nH]ccc3c12)-c1ccc(C)s1
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-n1c(cc2cnc3[nH]ccc3c12)-c1cccs1
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-n1c(cc2cnc3[nH]ccc3c12)-c1ccc(C)o1
OCc1ccc(o1)-c1cc2cnc3[nH]ccc3c2n1-c1cnn(CCC#N)c1
Cc1ccc(o1)-c1cc2cnc3[nH]ccc3c2n1-c1cnn(CCC#N)c1
FC(F)(F)c1cc2cnc3[nH]ccc3c2n1-c1cnn(CCC#N)c1
N#CCCn1cc(cn1)-n1c(cc2cnc3[nH]ccc3c12)-c1cccs1
N#CCCn1cc(cn1)-n1ccc2cnc3[nH]ccc3c12
N#CCCCn1cc(cn1)-n1ccc2cnc3[nH]ccc3c12
FC(F)(F)CCCn1cc(cn1)-n1ccc2cnc3[nH]ccc3c12
Cc1ccc(s1)-c1cc2cnc3[nH]ccc3c2n1-c1cnn(CCCC#N)c1
COc1cc(Nc2nc(NCc3cccc(NC(=O)CCl)c3)n3ccnc3c2C(N)=O)cc(OC)c1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(cn1)-c1nc(Nc2ccc(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)c(F)c2)ncc1C
Cc1cnc(Nc2ccc3N(CCc3c2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)nc1-c1cnn(C)c1
Cc1cnc(Nc2ccc3N(CCc3c2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)nc1-c1cnn(c1)C1CCC1
Cc1cnc(Nc2ccc3N(CCc3c2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)nc1-c1cnn(CCC#N)c1
CCOC(C)n1cc(cn1)-c1nc(Nc2ccc3N(CCc3c2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)ncc1C
Fc1cnc(Nc2ccc3N(CCc3c2)S(=O)(=O)C(F)(F)F)nc1-c1cnn(CCC#N)c1
Fc1cnc(Nc2ccc3N(CCc3c2)C(=O)CN2CCS(=O)(=O)CC2)nc1-c1cnn(CCC#N)c1
Fc1cnc(Nc2ccc3N(CCc3c2)C(=O)C2(CC2)C#N)nc1-c1cnn(CCC#N)c1
Fc1cnc(Nc2ccc3n(ccc3c2)S(=O)(=O)C(F)(F)F)nc1-c1cnn(CCC#N)c1
CC(C)n1cc(cn1)-c1nc(Nc2ccc3N(CCc3c2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)ncc1C
CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cc1
ONC(=O)CCCCCn1cc(Nc2ncc3ccn(Cc4cccc(F)c4)c3n2)cn1
ONC(=O)CCCCCCn1cc(Nc2ncc3ccn(-c4ccccc4)c3n2)cn1
ONC(=O)CCCCCCn1cc(Nc2ncc3ccn(Cc4cccc(F)c4)c3n2)cn1
ONC(=O)CCCCCn1cc(Nc2ncc3ccn(Cc4ccccc4F)c3n2)cn1
ONC(=O)CCCCCCn1cc(Nc2ncc3ccn(Cc4ccccc4F)c3n2)cn1
Cc1cnc(Nc2ccccc2)nc1N1CCC2(CCNC2=O)CC1
Cc1cnc(Nc2cnn(C)c2)nc1N1CCC2(CC1)NC(=O)NC2=O
Cc1cnc(Nc2cnn(C)c2)nc1N1C2CCC1COC2
Cc1cnc(Nc2cnn(C)c2)nc1N1CCC2(CCNC2=O)CC1
Cn1cc(Nc2nccc(n2)N2CCC3(CCNC3=O)CC2)cn1
COc1ccc(Nc2ncc(C)c(n2)N2CCC3(CCNC3=O)CC2)cc1
COc1ccc(Nc2ncc(C)c(n2)N2CCC3(CCNC3=O)CC2)cc1OC
Cc1cnc(Nc2ccc(cc2)[N+]([O-])=O)nc1N1CCC2(CCNC2=O)CC1
COc1ccc(Nc2ncc(C)c(n2)N2CCC3(CCNC3=O)CC2)cc1N
COc1cc(Nc2ncc(C)c(n2)N2CCC3(CCNC3=O)CC2)cc(OC)c1OC
Cc1cnc(Nc2ccc(F)cc2)nc1N1CCC2(CCNC2=O)CC1
Cc1cnc(Nc2ccc(cc2)C(C)(C)C)nc1N1CCC2(CCNC2=O)CC1
Cc1cnc(Nc2ccc(cc2)C(F)(F)F)nc1N1CCC2(CCNC2=O)CC1
COc1ccc(Nc2ncc(C)c(n2)N2CCC3(CCNC3=O)CC2)cc1F
Cc1cnc(Nc2ccc(F)c(N)c2)nc1N1CCC2(CCNC2=O)CC1
Cc1cnc(Nc2ccncc2)nc1N1CCC2(CCNC2=O)CC1
Cc1cnc(Nc2nccs2)nc1N1CCC2(CCNC2=O)CC1
CC(C)n1cc(Nc2ncc(C)c(n2)N2CCC3(CCNC3=O)CC2)cn1
Cc1cnc(Nc2cnn(c2)C(F)F)nc1N1CCC2(CCNC2=O)CC1
Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1N1CCC2(CCNC2=O)CC1
Cc1cnc(Nc2ccc(N3CCOCC3)c(F)c2)nc1N1CCC2(CCNC2=O)CC1
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)N2CCC3(CCNC3=O)CC2)cc1
CC1CN(CCO1)c1ccc(Nc2ncc(C)c(n2)N2CCC3(CCNC3=O)CC2)cc1
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1N1CCC2(CCNC2=O)CC1
Cc1cnc(Nc2ccc(cc2)N2C3CCC2COC3)nc1N1CCC2(CCNC2=O)CC1
Cn1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cn1
CC(=O)N1CCC(CC1)Oc1cccc2cnc(Nc3cnn(C)c3)nc12
COc1cccc2cnc(Nc3cnn(C)c3)nc12
Cn1cc(Nc2ncc3cccc(CC4CCNCC4)c3n2)cn1
CC(=O)N1CCC(Cc2cccc3cnc(Nc4cnn(C)c4)nc23)CC1
Cn1cc(Nc2ncc3cccc(NC4CCNCC4)c3n2)cn1
CC(=O)N1CCC(CC1)Nc2cccc3c2nc(nc3)Nc4cnn(c4)C
COc1cc(cc2cnc(Nc3cnn(C)c3)nc12)-c1ccc(O)cc1
COc1cc(cc2cnc(N)nc12)-c1ccc(O)cc1
CCc1c(F)c(O)ccc1-c1cc(OC)c2nc(N)ncc2c1
CCc1cc(O)c(F)cc1-c1cc(OC)c2nc(N)ncc2c1
CCc1cc(O)c(F)cc1-c1cc(NC2CCN(CC2)C(C)=O)c2nc(N)ncc2c1
CCc1cc(O)c(F)cc1-c1cc(NCCO)c2nc(N)ncc2c1
CCc1cc(O)c(F)cc1-c1cc(N(C)CCO)c2nc(N)ncc2c1
CCc1cc(O)c(F)cc1-c1cc(NCCCO)c2nc(N)ncc2c1
CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(N)ncc2c1 |r|
CCc1cc(O)c(F)cc1-c1cc(N[C@H](C)CO)c2nc(N)ncc2c1 |r|
CCc1cc(O)c(F)cc1-c1cc(NC[C@H](C)O)c2nc(N)ncc2c1 |r|
CCc1cc(O)c(F)cc1-c1cc(NC[C@@H](C)O)c2nc(N)ncc2c1 |r|
CCc1cc(O)c(F)cc1-c1cc(NC(CO)CO)c2nc(N)ncc2c1
CCc1cc(O)c(F)cc1-c1cc(NCCNC)c2nc(N)ncc2c1
CCc1cc(O)c(F)cc1-c1cc(NC2CCN(C)CC2)c2nc(N)ncc2c1
CCc1cc(O)c(F)cc1-c1cc(NCC2CCN(C)CC2)c2nc(N)ncc2c1
CCc1cc(O)c(F)cc1-c1cc(N[C@@H]2CCCN(C)C2)c2nc(N)ncc2c1 |r|
CCc1cc(O)c(F)cc1-c1cc(N[C@H]2CCCN(C)C2)c2nc(N)ncc2c1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(cc3cnc(N)nc13)-c1cc(F)c(O)cc1CC)N2 |r|
[H][C@]12CC[C@]([H])(C[C@H](C1)Nc1cc(cc3cnc(N)nc13)-c1cc(F)c(O)cc1CC)N2 |r|
CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(NCCCN(C)C)ncc2c1 |r|
CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(NCCOCCN(C)C)ncc2c1 |r|
CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(NCCCCCN(C)C)ncc2c1 |r|
CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2[nH]c(N)nc(=O)c2c1 |r|
COc1ccc(cc1)-c1noc(n1)-c1cnc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)cn1
CC1CCC(CN1N(C)c1ncnc2[nH]ccc12)C(=O)NCC#N
CC1CCC(CN1N(C)c1ncnc2[nH]ccc12)C(=O)NCC(F)(F)F
CN(N1CCCC(C1)C(=O)NCC#N)c1ncnc2[nH]ccc12
CN(N1CCCC(C1)C(=O)NCC(F)(F)F)c1ncnc2[nH]ccc12
CN(N1CCCC(C1)C(=O)NCC(F)F)c1ncnc2[nH]ccc12
COCNC(=O)C1CCCN(C1)N(C)c1ncnc2[nH]ccc12
CN(CC(F)(F)F)C(=O)C1CCCN(C1)N(C)c1ncnc2[nH]ccc12
CN(N1CCCC(C1)C(=O)N1CC(O)C1)c1ncnc2[nH]ccc12
CN(N1CCCC(C1)N1CCCC1=O)c1ncnc2[nH]ccc12
CN(N1CCCC(C1)C(=O)NCCC#N)c1ncnc2[nH]ccc12
CN(N1CCCN(CC1)C(=O)CC(F)(F)F)c1ncnc2[nH]ccc12
CN(N1CCC(C1)C(=O)NCC(F)(F)F)c1ncnc2[nH]ccc12
CN(N1CCC(C1)C(=O)NCC#N)c1ncnc2[nH]ccc12
CN(N1CCCC(C)(C1)C(=O)NCC#N)c1ncnc2[nH]ccc12
CN(N1CCC(C)(C1)C(=O)NCC(F)(F)F)c1ncnc2[nH]ccc12
CN(N1CCC(CC1)C(=O)NCC#N)c1ncnc2[nH]ccc12
CN(N1CCC(CC1)C(=O)NCC(F)(F)F)c1ncnc2[nH]ccc12
CN(N1CC[C@H](C1)C(=O)NCC(F)(F)F)c1ncnc2[nH]ccc12 |r|
CN(N1CC[C@@H](C1)C(=O)NCC(F)(F)F)c1ncnc2[nH]ccc12 |r|
CN(N1CCC[C@H](C1)C(=O)NCC#N)c1ncnc2[nH]ccc12 |r|
CN(N1CCC[C@H](C1)C(=O)NCC(F)(F)F)c1ncnc2[nH]ccc12 |r|
FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1ccc(O)c(F)c1
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1ccc(O)cc1
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1ccc(O)c(Cl)c1
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1ccc(O)c(c1)C(F)(F)F
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1ccc(O)c(c1)C#N
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1ccc(O)c(C)c1
COc1cc(ccc1O)-c1ccc2ncc3nc(C)n(C4CCN(C)CC4)c3c2c1
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1ccc(O)cc1F
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1ccc(O)cc1Cl
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1cc(F)c(O)c(F)c1
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1cc(F)c(O)c(Cl)c1
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1cc(Cl)c(O)c(Cl)c1
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1cc(C)c(O)c(C)c1
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1cc(Cl)cc(Cl)c1
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1ccc(F)c(O)c1
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1ccccc1O
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1ccc2OCCOc2c1
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1ccc(cc1)N1CCOCC1
Cc1nc2cnc3ccc(cc3c2n1C1CCOCC1)-c1cc(Cl)c(O)c(Cl)c1
CN1CCCC(C1)n1c(C)nc2cnc3ccc(cc3c12)-c1cc(Cl)c(O)c(Cl)c1
CN1CCC[C@H](C1)n1c(C)nc2cnc3ccc(cc3c12)-c1cc(Cl)c(O)c(Cl)c1 |r|
CN1CCC[C@@H](C1)n1c(C)nc2cnc3ccc(cc3c12)-c1cc(Cl)c(O)c(Cl)c1 |r|
CN(C)[C@H]1CC[C@@H](CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:3.2,wD:6.9,(-2.17,3.33,;-.69,3.73,;-.29,5.22,;.4,2.64,;1.89,3.04,;2.98,1.95,;2.58,.46,;1.09,.06,;0,1.15,;3.67,-.63,;5.2,-.47,;5.97,.87,;5.83,-1.87,;4.69,-2.91,;4.69,-4.44,;3.36,-5.22,;2.02,-4.44,;.69,-5.21,;-.64,-4.45,;-.64,-2.9,;.69,-2.13,;2.02,-2.9,;3.35,-2.13,;-1.98,-2.13,;-1.98,-.59,;-3.31,.18,;-3.31,1.72,;-4.64,-.59,;-5.97,.18,;-4.64,-2.14,;-5.97,-2.91,;-3.3,-2.9,)|
CN(C)CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)-c1cc(Cl)c(O)c(Cl)c1
Cc1nc2cnc3ccc(cc3c2n1[C@H]1CC[C@H](O)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.20,wD:14.16,(5.97,1.61,;5.2,.28,;5.83,-1.13,;4.69,-2.16,;4.69,-3.69,;3.36,-4.47,;2.02,-3.7,;.69,-4.47,;-.64,-3.71,;-.64,-2.16,;.69,-1.39,;2.02,-2.16,;3.35,-1.39,;3.67,.12,;2.58,1.2,;2.98,2.69,;1.89,3.78,;.4,3.38,;-.69,4.47,;0,1.9,;1.09,.81,;-1.98,-1.39,;-1.98,.15,;-3.31,.92,;-3.31,2.46,;-4.64,.15,;-5.97,.92,;-4.64,-1.4,;-5.97,-2.17,;-3.3,-2.16,)|
Cc1nc2cnc3ccc(cc3c2n1[C@H]1CC[C@H](CO)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.20,wD:14.16,(5.97,1.61,;5.2,.28,;5.83,-1.13,;4.68,-2.16,;4.69,-3.69,;3.36,-4.47,;2.02,-3.7,;.69,-4.47,;-.64,-3.71,;-.64,-2.16,;.69,-1.39,;2.02,-2.16,;3.35,-1.39,;3.67,.12,;2.58,1.2,;2.98,2.69,;1.89,3.78,;.4,3.38,;-.69,4.47,;-2.17,4.07,;0,1.9,;1.09,.81,;-1.98,-1.39,;-1.98,.15,;-3.31,.92,;-3.31,2.46,;-4.64,.15,;-5.97,.92,;-4.64,-1.4,;-5.97,-2.17,;-3.3,-2.16,)|
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
[H][C@@]12CC(c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@@H]1CC#N)C2 |r|
NC(=O)c1cn(nc1Nc1ccc2OB(O)C=Cc2c1)C1CCCC1C#N |c:17|
NC(=O)c1cn(nc1Nc1ccc2B(O)OCc2c1)C1CCCC1C#N
NC(=O)c1cn(nc1Nc1cc2COB(O)c2c(F)c1)C1COCCC1C#N
NC(=O)c1cn(nc1Nc1ccc2OB(O)C=C(Cl)c2c1)C1COCCC1C#N |t:17|
NC(=O)c1cn(nc1Nc1cc2COB(O)c2c(Cl)c1)C1COCCC1C#N
NC(=O)c1cn(nc1Nc1ccc2OB(O)C3CC3c2c1)C1COCCC1C#N
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(NC[C@H]3COCCO3)cc2)c1OC |r|
Cc1c(nnn1Cc1ccc(Cl)cc1)-c1ncnc2[nH]ccc12
Cc1c(nnn1Cc1ccc(Br)cc1)-c1ncnc2[nH]ccc12
Cc1c(nnn1Cc1ccc(I)cc1)-c1ncnc2[nH]ccc12
Cc1c(nnn1Cc1ccc(cc1)S(C)(=O)=O)-c1ncnc2[nH]ccc12
[H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N5CCC(CC5)N5CCN(C)CC5)c(Cl)c4)ncc3Cl)[C@@]1([H])OC[C@@H]2O |r|
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(Cc4cccc(NC(=O)C=C)c4)c3n2)cc1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C2COC2)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)n2cccn2)n1
Cc1nnc(s1)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)c2ccco2)n1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)c2cccs2)n1
Cc1ccc(o1)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Clc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:29|
COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1
O=C(Nc1nc2cccc(C3=CCN(CC3)C(=O)C3CC3)n2n1)C1CC1 |t:10|
FC1(F)C[C@@H]1C(=O)N[C@H]1CC[C@H](CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wU:11.15,8.8,wD:4.5,(7.32,4.03,;5.77,4.03,;6.55,5.36,;5.01,2.69,;4.23,4.03,;2.9,4.8,;2.9,6.34,;1.57,4.03,;1.57,2.49,;2.9,1.72,;2.9,.18,;1.57,-.59,;.23,.18,;.23,1.72,;1.57,-2.13,;2.89,-2.9,;2.89,-4.43,;1.57,-5.2,;.24,-4.44,;-1.23,-4.92,;-2.13,-3.67,;-3.67,-3.67,;-4.44,-5,;-3.67,-6.34,;-5.98,-5,;-7.32,-4.23,;-7.32,-5.77,;-1.23,-2.42,;.24,-2.9,)|
FC1(F)C[C@H]1C(=O)N[C@H]1CC[C@H](CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wU:11.15,8.8,4.5,(7.32,4.03,;5.77,4.03,;6.55,5.36,;5.01,2.69,;4.23,4.03,;2.9,4.8,;2.9,6.34,;1.57,4.03,;1.57,2.49,;2.9,1.72,;2.9,.18,;1.57,-.59,;.23,.18,;.23,1.72,;1.57,-2.13,;2.89,-2.9,;2.89,-4.43,;1.57,-5.2,;.24,-4.44,;-1.23,-4.92,;-2.13,-3.67,;-3.67,-3.67,;-4.44,-5,;-3.67,-6.34,;-5.98,-5,;-7.32,-4.23,;-7.32,-5.77,;-1.23,-2.42,;.24,-2.9,)|
FC1(F)C[C@@H]1C(=O)N[C@H]1CC[C@@H](CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wU:11.15,wD:8.8,4.5,(7.32,4.03,;5.77,4.03,;6.55,5.36,;5.01,2.69,;4.23,4.03,;2.9,4.8,;2.9,6.34,;1.57,4.03,;1.57,2.49,;.23,1.72,;.23,.18,;1.57,-.59,;2.9,.18,;2.9,1.72,;1.57,-2.13,;2.89,-2.9,;2.89,-4.43,;1.57,-5.2,;.24,-4.44,;-1.23,-4.92,;-2.13,-3.67,;-3.67,-3.67,;-4.44,-5,;-3.67,-6.34,;-5.98,-5,;-7.32,-4.23,;-7.32,-5.77,;-1.23,-2.42,;.24,-2.9,)|
FC1(F)C[C@H]1C(=O)N[C@H]1CC[C@@H](CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wU:11.15,4.5,wD:8.8,(7.32,4.03,;5.77,4.03,;6.55,5.36,;5.01,2.69,;4.23,4.03,;2.9,4.8,;2.9,6.34,;1.57,4.03,;1.57,2.49,;.23,1.72,;.23,.18,;1.57,-.59,;2.9,.18,;2.9,1.72,;1.57,-2.13,;2.89,-2.9,;2.89,-4.43,;1.57,-5.2,;.24,-4.44,;-1.23,-4.92,;-2.13,-3.67,;-3.67,-3.67,;-4.44,-5,;-3.67,-6.34,;-5.98,-5,;-7.32,-4.23,;-7.32,-5.77,;-1.23,-2.42,;.24,-2.9,)|
FC1(F)C[C@H]1C(=O)N1CCC2(CCC(CC2)c2cccc3nc(NC(=O)C4CC4)nn23)CC1 |r|
FC1(F)C[C@H]1C(=O)N1CCC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|
FC1(F)C[C@@H]1C(=O)N1CCC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|
O=C(CC#N)N1CCC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12
COc1ccc(NC(=O)N2CCc3c(C2)sc(NC(=O)c2cnn(C)c2)c3C#N)cc1
CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)c1ccc(cn1)C#N |r|
CSc1ccc(OC(F)F)c(c1)-c1n[nH]cc1NC(=O)c1cnc2cccnn12
C[C@@H]1CCN(C[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O)C(=O)C(C)(C)C#N |r|
C[C@@H]1CCN(C[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O)C(=O)N1CCCCC1 |r|
C[C@@H]1CCN(C[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O)C(=O)N1CCOCC1 |r|
C[C@@H]1CCN(C[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O)C(=O)Cn1cnnn1 |r|
C[C@@H]1CCN(C[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O)c1ccc(cn1)C#N |r|
C[C@@H]1CCN(C[C@@H]1n1ncc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
C[C@@H]1CCN(C[C@@H]1n1c(C)cc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]cc(C#N)c3c12)C(=O)CC#N |r|
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1[nH]cnc2nccc12 |r,wU:6.5,wD:9.12,(-10.18,.5,;-8.84,-.27,;-7.51,.5,;-8.28,1.83,;-6.42,1.58,;-6.17,-.27,;-4.84,.5,;-4.84,2.04,;-3.51,2.81,;-2.17,2.04,;-2.17,.5,;-3.51,-.27,;-.84,2.81,;-.84,4.35,;.49,2.04,;.49,.5,;1.83,-.27,;3.16,.5,;3.16,2.04,;4.31,3.07,;3.68,4.47,;2.15,4.31,;1.83,2.81,)|
C[C@H](Nc1ncc(Cl)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1 |r|
C[C@H](Nc1cc(cc(Nc2cnccn2)n1)-c1cnn(C)c1)c1ccc(F)cc1 |r|
CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
Cc1cccc(Nc2cc(Nc3ccccc3Cl)c(cn2)C(N)=O)n1
CCOC(=O)Oc1cccc(Nc2cc(Nc3ccccc3Cl)c(cn2)C(N)=O)n1
NC(=O)c1cnc(Nc2cccc(O)n2)cc1Nc1ccccc1Cl
NC(=O)c1cnc(Nc2ccc(O)cn2)cc1Nc1ccccc1Cl
COc1cccc(Nc2cc(Nc3ccccc3Cl)c(cn2)C(N)=O)n1
O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
COc1ccccc1Nc1cc(Nc2ccccn2)ncc1C(N)=O
COc1ccccc1Nc1cc(Nc2cccnn2)ncc1C(N)=O
COc1ccccc1Nc1cc(Nc2cccc(C)n2)ncc1C(N)=O
NC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1Cl
Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1
CNc1cc(Nc2cc(C)cc(C)c2)nn2c(cnc12)C(=O)NC1CC1
CNc1cc(nc2n1ncc2C(=O)N[C@@H]3C[C@@H]3F)NC4=CC=CN(C4=O)c5c(cccn5)F
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@H]1C[C@H]1F |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@H]1C[C@@H]1OC |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@@H]1C[C@H]1OC |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@H]1CCC1(F)F |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CCC1(F)F |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1OC |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1OC |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1O |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1O |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@@H]1O |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@H]1O |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@@]1(C)OC |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)NC1CC2(COC2)C1
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@H](C1)OC |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H](C1)OC |r|
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)NCC1(CO)CC1
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1OC |r|
CC(C)n1cc(cn1)-c1nc(Nc2ccc(CNC(=O)\C=C\C(=O)c3ccccc3)cc2)ncc1C
CC(C)n1cc(cn1)-c1nc(Nc2ccc(CNC(=O)CCl)cc2)ncc1C
CC(C)n1cc(cn1)-c1nc(Nc2ccc(CNC(=O)C=C)cc2)ncc1C
CC(C)n1cc(cn1)-c1nc(Nc2ccc(CNC(=O)C3CC3)cc2)ncc1C
CC(C)n1cc(cn1)-c1nc(Nc2ccc(CNS(=O)(=O)C=C)cc2)ncc1C
CCS(=O)(=O)NCc1ccc(Nc2ncc(C)c(n2)-c2cnn(c2)C(C)C)cc1
CC(C)n1cc(cn1)-c1nc(Nc2ccc(CNS(=O)(=O)C3CC3)cc2)ncc1C
CN(C)c1ccc(cc1)C(=O)Nc1ccc(c2OCOc12)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Cn1cc(Nc2nccc(n2)-c2cnn(CCC#N)c2)cn1
Cc1cnc(Nc2cnn(C)c2)nc1-c1cnn(CCC#N)c1
Cc1cc(Nc2ncc(C)c(n2)-c2cnn(CCC#N)c2)sn1
Cc1cc(Nc2ncc(Cl)c(n2)-c2cnn(CCC#N)c2)sn1
Cc1cc(Nc2cc(-c3cnn(CCC#N)c3)c(Cl)cn2)sn1
Cc1cnc(Nc2ccccc2)nc1-c1cnn(CCC#N)c1
Cc1cnc(NC2CCOCC2)nc1-c1cnn(CCC#N)c1
Cc1cnc(NCCN2CCOCC2)nc1-c1cnn(CCC#N)c1
Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cnn(CCC#N)c1
CN1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2cnn(CCC#N)c2)cc1
Cc1cnc(Nc2cnn(C)c2)nc1-c1cnn(c1)[C@H](CC#N)C1CCCC1 |r|
Cc1cnc(Nc2cnn(C)c2)nc1N1CC2CCCC(C1)N2CCC#N |TLB:23:22:17.18.19:14.21.15,THB:13:14:22:17.18.19|
Cc1cc(sn1)Nc2ncc(c(n2)N3CC(C3)(CC#N)N4CCN(CC4)C)C
C1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
C1CC(C1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
C1CCC(C1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
C1CCCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
[H][C@@]12C[C@]3([H])C[C@@](O)(C1)C[C@@]([H])(C2)[C@H]3Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1 |r,wU:3.3,10.11,6.6,wD:13.16,1.0,TLB:5:3:12:9.6.8,8:6:2.1.12:13,8:1:9.6.5:13,THB:5:6:12:3.2.13,14:13:12:9.6.8,7:6:2.1.12:13,(3.87,5.88,;3.83,4.35,;2.78,3.09,;2.78,1.47,;2.7,-.07,;4.21,.9,;5.24,2.21,;6.7,1.7,;5.24,3.76,;3.82,1.85,;2.47,2.34,;1.03,2.91,;2.47,3.87,;1.25,1.04,;-.09,.27,;-.09,-1.27,;-1.42,-2.04,;-1.42,-3.58,;-.09,-4.35,;1.25,-3.58,;2.71,-4.03,;3.63,-2.79,;2.75,-1.57,;1.25,-2.04,;-2.75,-1.27,;-3.09,.23,;-4.62,.4,;-5.24,-.97,;-4.09,-2.04,)|
CC1(C)CC(CC(C)(C)N1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
CN1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
CCN1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
CCCN1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
CC(C)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
N#CCN1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
N#CCCN1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
CC(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
CCC(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
CCCC(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
CC(C)C(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
CC(C)CCC(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
CC(C)(C)CC(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
O=C(C1CC1)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
O=C(CC#N)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
O=C(N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1)c1ccccc1
CS(=O)(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
CCS(=O)(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
CCCS(=O)(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
O=S(=O)(C1CC1)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
CC(C)(C)OC(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
[H][C@@]12C[C@@]3([H])C[C@@](O)(C1)C[C@@]([H])(C2)[C@H]3Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1 |r,TLB:8:6:13:1.2.12,8:1:13:6.9.5,7:6:13:1.2.12,14:13:5:1.2.8,THB:12:1:13.10.9:5,12:10:5:1.2.8|
[H][C@@]12C[C@@]3([H])C[C@@](O)(C1)C[C@@]([H])(C2)[C@@H]3Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1 |r,TLB:8:6:13:1.2.12,8:1:13:6.9.5,7:6:13:1.2.12,14:13:5:1.2.8,THB:12:1:13.10.9:5,12:10:5:1.2.8|
[H][C@]12CC3C[C@]([H])(CC(O)(C3)C1)C2Nc1c(cnc2[nH]ccc12)C(N)=O |r,TLB:10:3:12:7.8.11,10:8:12:2.3.4,4:5:11:2.3.10,THB:9:8:12:2.3.4,13:12:11:2.3.10,4:3:12.5.7:11|
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1
Fc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccc(F)cc2)cc1
C[C@H]1CC(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r|
OC1CCN(CC1)c1ccc(Nc2nc(nc3cn[nH]c(=O)c23)N2CCC(CC#N)CC2)cc1
Brc1ccc2C(C(=O)Nc2c1)=C1Nc2ccccc2C1=N/OCCN1CCNCC1
CS(=O)(=O)N1CC[C@@H](C1)C#CC(=O)N1CCC[C@H](C1)c1ccc(Cl)c(Cl)c1 |r|
O=C(Nc1ccccc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
COc1ccc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
Clc1ccc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
FC(F)(F)c1cc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)ccc1Cl
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccccc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccc(OC)cc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c3ccccc23)cc1
S=C(Nc1ccccc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
COc1cccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)c1
COc1ccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
Clc1cccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)c1
Clc1ccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccccc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccc(OC)cc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3cccc(Cl)c3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccc(Cl)cc3)c3ccccc23)cc1
O=C(N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12)c1ccccc1
COc1ccc(cc1)C(=O)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
Clc1ccc(cc1)C(=O)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)c3ccccc3)c3ccccc23)cc1
CC[C@@H]1CN(C[C@@H]1Nc1c(cnc2[nH]ccc12)C(F)(F)F)C(=O)NCC(F)(F)F |r|
CC[C@@H]1CN(C[C@H]1Nc1c(cnc2[nH]ccc12)C(F)(F)F)C(=O)NCC(F)(F)F |r|
CCC1CN(CC1NCc1ccc(C)nc1-c1cnc2[nH]ccc2c1)C(=O)NCC(F)(F)F
CCC1CN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)NCC(F)(F)F
CCC1CN(CC1Nc1ncnc2[nH]ccc12)C(=O)NCC(F)(F)F
CCC1CN(CC11CCN(C1)c1ncnc2[nH]ccc12)C(=O)NCC(F)(F)F
CCC1CN(CC1c1nc(N)nc2[nH]ccc12)C(=O)NCC(F)(F)F
C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5
NC(=O)c1cnc2c(NC3CC3)cc(Nc3cc(cc(c3)C(F)(F)F)C#N)nn12
CNc1cc(nc2n1ncc2C(=O)N[C@@H]3CC[C@H]3OC)NC4=CC=CN(C4=O)c5ccccn5
CNC(=O)c1nnc(NC(=O)C2CC2)c2[nH]c(cc12)-c1ccc(N)cc1OC
[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(cn2)C(C)(C)O)cc1Nc1nccc(-c2ncc(F)cn2)c1OC
CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
CCS(=O)(=O)N1CC(CC#C)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(cc1)C(=O)NO
Cc1cnc(Nc2ccc(cc2)C(=O)Nc2ccccc2N)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
CC(C)(C)NS(=O)(=O)c1cccc(Nc2nc(Nc3ccc(cc3)C(=O)Nc3ccccc3N)ncc2Cl)c1
CCCNNC(=O)c1ccc(Nc2ncc(C)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1
CCCNNC(=O)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1
Cc1cnc(Nc2ccc(cc2)C(=O)NO)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1
Cc1cnc(Nc2ccc(cc2)C(=O)Nc2ccccc2N)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1
Cc1cnc(Nc2ccc(\C=C\C(=O)NO)cc2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(cc1)C(=O)Nc1ccccc1N
CCCNNC(=O)c1ccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc(cc3)C(=O)Nc3ccccc3N)n2)cc1F
CCCN(N)C(=O)c1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)ncc2C)cc1
CN(C)S(=O)(=O)c1cccc(c1)-c1c[nH]c2cnc(NC(C)=O)cc12
CN(C)S(=O)(=O)c1cccc(c1)-c1c[nH]c2cnc(NC(=O)C3CC3)cc12
CN(C)S(=O)(=O)c1cccc(c1)-c1cn(C)c2cnc(NC(C)=O)cc12
CN(C)S(=O)(=O)c1cccc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12
CCS(=O)(=O)c1cccc(n1)-c1cn(C)c2cnc(NC(C)=O)cc12
CC(=O)Nc1cc2c(cn(C)c2cn1)-c1cccc(n1)S(=O)(=O)C1COC1
COC[C@@H](C)OC(=O)Cc1ccc(Nc2cc(Nc3ccccc3OC)c(cn2)C(N)=O)nc1 |r|
COC[C@H](C)OC(=O)Cc1ccc(Nc2cc(Nc3ccccc3OC)c(cn2)C(N)=O)nc1 |r|
COc1ccccc1Nc1cc(Nc2ccc(CC(O)=O)cn2)ncc1C(N)=O
CCOC(=O)c1ccc(Nc2cc(Nc3ccccc3Cl)c(cn2)C(N)=O)nc1
CCOC(=O)Cc1ccc(Nc2cc(Nc3ccccc3Cl)c(cn2)C(N)=O)nc1
CCOC(=O)CCc1ccc(Nc2cc(Nc3ccccc3Cl)c(cn2)C(N)=O)nc1
CCOC(=O)COc1ccc(Nc2cc(Nc3ccccc3Cl)c(cn2)C(N)=O)nc1
COC(=O)Cc1ccc(Nc2cc(Nc3ccccc3Cl)c(cn2)C(N)=O)nc1
CC(C)OC(=O)Cc1ccc(Nc2cc(Nc3ccccc3Cl)c(cn2)C(N)=O)nc1
NC(=O)c1cnc(Nc2ccc(CC(O)=O)cn2)cc1Nc1ccccc1Cl
CCOC(=O)Cc1ccc(Nc2cc(Nc3ccccc3OC)c(cn2)C(N)=O)nc1
COCCOC(=O)Cc1ccc(Nc2cc(Nc3ccccc3OC)c(cn2)C(N)=O)nc1
COc1ccccc1Nc1cc(Nc2ccc(CC(=O)O[C@@H]3CCOC3)cn2)ncc1C(N)=O |r|
COc1ccccc1Nc1cc(Nc2ccc(CC(=O)O[C@H]3CCOC3)cn2)ncc1C(N)=O |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccccc2)C[C@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)C[C@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(OC)cc2)C[C@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(c2)C#N)C[C@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(cc2)C#N)C[C@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)C[C@@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)C[C@@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(OC)cc2)C[C@@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(c2)C#N)C[C@@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(cc2)C#N)C[C@@H]1F |r|
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1(F)F
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(Cl)c2)CC1(F)F
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(Cl)cc2)CC1(F)F
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(OC)c2)CC1(F)F
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(OC)cc2)CC1(F)F
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)C(C)(C)C1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(Cl)c2)C(C)(C)C1
CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(Cl)cc2)C(C)(C)C1
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccccc2F)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(F)c2)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(F)cc2)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cn2)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(n2)C#N)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(cn2)C#N)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(cn2)C(F)(F)F)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)nc2)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(nc2)C#N)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(nc2)C(F)(F)F)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cnc(nc2)C(F)(F)F)[C@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)[C@@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(Cc2ccc(Cl)cn2)[C@@H](C)C1 |r|
CNC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(Cc2ccc(nc2)C#N)[C@@H](C)C1 |r|
COc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:22|
Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COC\C=C\COCc4cccc(c4)-c1n2)c3 |t:23|
COc1ccc-2cc1COC\C=C\COCc1cc(Nc3nccc-2n3)ccc1OCCN1CCCC1 |t:12|
OCCN1CCN(CC1)c1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:30|
CN(C)CCN(C)c1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:27|
Cn1cc(cn1)-c1cn2ncnc2c(n1)-c1ccn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(4.57,-7.87,;4.07,-6.78,;2.54,-6.4,;2.43,-4.87,;3.85,-4.27,;4.89,-5.41,;1.12,-4.1,;-.25,-4.81,;-1.56,-4.05,;-3.03,-4.48,;-3.91,-3.23,;-2.98,-1.97,;-1.56,-2.46,;-.19,-1.75,;1.12,-2.52,;-.14,-.16,;1.12,.71,;.68,2.19,;-.9,2.19,;-1.39,.77,;-1.78,3.5,;-3.31,3.34,;-4.18,4.65,;-4.86,5.66,;-2.32,4.87,;-.85,5.36,;-.36,3.94,;-.19,6.78,;.3,7.87,)|
Cn1cc(cn1)-c1cn2ncnc2c(n1)-c1ccn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,25.31,(4.57,-7.88,;4.07,-6.78,;2.54,-6.4,;2.43,-4.87,;3.86,-4.27,;4.89,-5.41,;1.12,-4.1,;-.25,-4.81,;-1.56,-4.05,;-3.04,-4.48,;-3.91,-3.23,;-2.98,-1.97,;-1.56,-2.46,;-.19,-1.75,;1.12,-2.52,;-.14,-.16,;1.12,.71,;.68,2.19,;-.9,2.19,;-1.39,.77,;-1.78,3.5,;-3.31,3.34,;-4.18,4.65,;-4.86,5.66,;-.36,3.94,;-.85,5.36,;-2.32,4.87,;-.19,6.78,;.3,7.88,)|
NC(=O)c1nnc(cc1Nc1ccc(cc1)N1CCOCC1)-c1c(F)cccc1Cl
NC(=O)c1nnc(cc1Nc1ccc(cn1)N1CCOCC1=O)-c1c(F)cccc1F
NC(=O)c1nnc(cc1Nc1ccc(cn1)N1CCOCC1)-c1c(F)cccc1F
CNc1cc(Nc2cccn(-c3cnc(cn3)C(C)(C)O)c2=O)nc2c(cnn12)C(=O)NC1CCC1
CNc1cc(Nc2cccnc2OC)nc2c(cnn12)C(=O)NCC1(CO)CC1
CNC(=O)c1nnc(NC(=O)N2CCC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CNc1cc2Nc3cc(COC[C@@H](C)NC(=O)c4cnc1n4n2)ccc3OC |r|
CC(=O)Nc1cc(Nc2cccc(n2)S(C)(=O)=O)c(cn1)-c1ccccn1
CC(=O)Nc1cc(Nc2cccc(c2)S(C)(=O)=O)c(cn1)-c1ccccn1
CC(=O)Nc1cc(Nc2ncccc2S(C)(=O)=O)c(cn1)-c1ccccn1
CC(=O)Nc1cc(Nc2ccccc2S(C)(=O)=O)c(cn1)-c1ccccn1
COCCOc1cc(Nc2cc(NC(C)=O)ncc2-c2ccccn2)nc(c1)S(C)(=O)=O
CO[C@]1(CCOC1)c1cc(C)cc(n1)-n1cc(C2CCN(C)CC2)c2cnc(NC(N)=O)cc12 |r|
[2H]C([2H])([2H])NC(=O)c1nnc2Nc3cccc(COCCc4cc(Nc1c2)c(OC)c(c4)-c1ccn(C)n1)n3
CNC(=O)c1cnc2Nc3ccc(C)c(COCCc4cc(Nc1c2)c(OC)c(c4)-c1ccn(C)n1)n3
Cc1cnc(Nc2ccc(OCCCCCCC(=O)NO)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Cc1cnc(Nc2ccc(OCCCCCCC(=O)NO)c(F)c2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](OS([O-])(=O)=O)[C@@]4([H])C[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)C\C=C(/C)C(C)(C)C(C)C |r|
COc1cc(cc(OC)c1OC)-c1nccc2nc(Nc3cccc4[nH]ccc34)nn12
Cc1cc(n[nH]1)Nc2cc(c3nc(c(n3n2)Cc4ccc(cc4F)Cl)C)CN5CCOCC5
N#Cc1ccc(CN2CCC(Nc3c(-c4cn[nH]c4)cnc4[nH]ccc34)CC2)cc1
N#Cc1cccc(CN2CCC(Nc3c(-c4cn[nH]c4)cnc4[nH]ccc34)CC2)c1
N#Cc1ccccc1CN1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1
Clc1ccc(CN2CCC(Nc3c(-c4cn[nH]c4)cnc4[nH]ccc34)CC2)cc1
Clc1cccc(CN2CCC(Nc3c(-c4cn[nH]c4)cnc4[nH]ccc34)CC2)c1
Clc1ccccc1CN1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1
COc1cccc(CN2CCC(Nc3c(-c4cn[nH]c4)cnc4[nH]ccc34)CC2)c1
N#Cc1ccc(CN2CCC(Nc3c(-c4cc[nH]n4)cnc4[nH]ccc34)CC2)cc1
N#Cc1cccc(CN2CCC(Nc3c(-c4cc[nH]n4)cnc4[nH]ccc34)CC2)c1
N#Cc1ccccc1CN1CCC(Nc2c(-c3cc[nH]n3)cnc3[nH]ccc23)CC1
Clc1ccc(CN2CCC(Nc3c(-c4cc[nH]n4)cnc4[nH]ccc34)CC2)cc1
Clc1cccc(CN2CCC(Nc3c(-c4cc[nH]n4)cnc4[nH]ccc34)CC2)c1
Clc1ccccc1CN1CCC(Nc2c(-c3cc[nH]n3)cnc3[nH]ccc23)CC1
COc1cccc(CN2CCC(Nc3c(-c4cc[nH]n4)cnc4[nH]ccc34)CC2)c1
N#Cc1ccc(CN2CCC(Nc3c(-c4cc[nH]c4)cnc4[nH]ccc34)CC2)cc1
N#Cc1cccc(CN2CCC(Nc3c(-c4cc[nH]c4)cnc4[nH]ccc34)CC2)c1
N#Cc1ccccc1CN1CCC(Nc2c(-c3cc[nH]c3)cnc3[nH]ccc23)CC1
Clc1ccc(CN2CCC(Nc3c(-c4cc[nH]c4)cnc4[nH]ccc34)CC2)cc1
Clc1cccc(CN2CCC(Nc3c(-c4cc[nH]c4)cnc4[nH]ccc34)CC2)c1
Clc1ccccc1CN1CCC(Nc2c(-c3cc[nH]c3)cnc3[nH]ccc23)CC1
COc1cccc(CN2CCC(Nc3c(-c4cc[nH]c4)cnc4[nH]ccc34)CC2)c1
CCc1cc(C#N)cc(F)c1N(C)c1cc(NC(=O)C2CC2)c2ncn(C)c2n1
CCc1cc(C#N)cc(F)c1N(C)c1cc(NC(=O)NC)c2ncn(C)c2n1
CCc1cc(C#N)cc(F)c1N(C)c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1
Cn1cnc2c(Nc3cc(N)ncn3)cc(N(C)[C@H]3CC[C@H](C#N)CC3)nc21
CN(c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1)C1CCOC2(CCC2)C1
CN(c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1)C(C1CC1)C(F)(F)F
Cn1cnc2c(Nc3cc(N)ncn3)cc(NC(C3CC3)C(F)(F)F)nc21
Cn1cnc2c(Nc3cc(N)ncn3)cc(OC(C3CC3)C(F)(F)F)nc21
CCc1cc(C#N)ncc1N(C)c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1
Cc1cc(C#N)ncc1N(C)c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1
Cc1cc(C#N)ncc1Nc1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1
Cc1cc(C#N)ncc1Oc1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1
Cc1cc(S(C)(=O)=O)nc(F)c1Oc1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1
Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N(C)C)cc2)c2ncn(C)c2n1
Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N(C)C)cn2)c2ncn(C)c2n1
Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c2ncn(C)c2n1
Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3CCN(C)CC3)cn2)c2ncn(C)c2n1
Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cn2)c2ncn(C)c2n1
Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCOCC3)cn2)c2ncn(C)c2n1
Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCOCC3)nn2)c2ncn(C)c2n1
Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCN(C)CC3)nn2)c2ncn(C)c2n1
Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3C[C@@H](C)N(C)[C@@H](C)C3)nn2)c2ncn(C)c2n1
CCc1cc(C#N)cc(F)c1N(C)c1nc(NC(=O)C2CC2)c2ncn(C)c2n1
C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O
C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O
N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(C(=O)NCCCCC#Cc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)n2)cc1
CCn1c(C)nc2c(F)cc(-c3nc(Nc4ccc(CNC(=O)CCCCCCC(=O)NO)cc4)ncc3F)cc21
CCCS(=O)(=O)N[C@H]1C[C@@H](N(C)c2ncnc3[nH]ccc23)C1
N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O[C@H]3C[C@@H](O)C3)OC(C)(C)C4)n2)cn1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
O=C1c2ccccc2-c2n[nH]c3cccc1c23
CN1c2ccsc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)S(=O)(=O)N)C
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC