1142 SMILES Strings for Bromodomain-containing protein 4 [42-168]

Compound Name
SMILES String
Cn1cc(-c2ccccc2)c2cc[nH]c2c1=O
Cn1cc(-c2ccc3NC(=O)Cc3c2)c2cc[nH]c2c1=O
Cn1cc(-c2ccc3N(CCCc3c2)C(=O)OC(C)(C)C)c2cc[nH]c2c1=O
Cn1cc(-c2ccc3NC(=O)C4CCC(=O)N4c3c2)c2cc[nH]c2c1=O
CC1Nc2cc(ccc2NC1=O)-c1cn(C)c(=O)c2[nH]ccc12
CC1CC(=O)Nc2ccc(cc2N1)-c1cn(C)c(=O)c2[nH]ccc12
CC(C)C1Nc2cc(ccc2NC1=O)-c1cn(C)c(=O)c2[nH]ccc12
Cn1cc(C2CC3C=CNN3C3C(CCCC3=O)N2)c2cc[nH]c2c1=O |c:7|
Cn1cc(-c2ccc3NC(=O)CC(Nc3c2)c2cccs2)c2cc[nH]c2c1=O
Cn1cc(-c2cccc(c2)C(N)=O)c2cc[nH]c2c1=O
Cn1cc(-c2cccc(c2)C#N)c2cc[nH]c2c1=O
Cn1cc(-c2ccc(CO)cc2)c2cc[nH]c2c1=O
Cn1cc(-c2ccc(cc2)C(=O)N2CC(F)C2)c2cc[nH]c2c1=O
Cn1cc(-c2ccc(cc2)C(=O)N2CCCC2)c2cc[nH]c2c1=O
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn(C)c(=O)c2[nH]ccc12
Cn1cc(-c2ccc(cc2)C(=O)N2CCN(CC(N)=O)CC2)c2cc[nH]c2c1=O
Cn1cc(-c2ccc(cc2)C(=O)Nc2cccnc2)c2cc[nH]c2c1=O
CN(C(=O)c1ccc(cc1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1
CN(CC#N)C(=O)c1ccc(cc1)-c1cn(C)c(=O)c2[nH]ccc12
CCCCn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
CN(C)C(=O)c1cccc(c1)-c1cn(CCC2CC2)c(=O)c2[nH]ccc12
CN(C)C(=O)c1cccc(c1)-c1cn(CC2CCCC2)c(=O)c2[nH]ccc12
CC\C=C\Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
CN(C)C(=O)c1cccc(c1)-c1cn(CC2CCCCC2)c(=O)c2[nH]ccc12
CN(C)C(=O)c1cccc(c1)-c1cn(CC2CCC2)c(=O)c2[nH]ccc12
CN(C)C(=O)c1cccc(c1)-c1cn(CCC2CCCCC2)c(=O)c2[nH]ccc12
CCCCCn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
CC(C)Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
C\C=C\Cn1cc(-c2ccc(C(N)=O)c(F)c2)c2cc[nH]c2c1=O
CC=CCn1cc(-c2cc(F)cc(c2)C(N)=O)c2cc[nH]c2c1=O
CC=CCn1cc(-c2ccc(cc2)C(C)(C)C)c2cc[nH]c2c1=O
CC=CCn1cc(-c2cccc(c2)C(=O)NC2CC2)c2cc[nH]c2c1=O
CC=CCn1cc(-c2ccc(cc2)C(=O)NC2CC2)c2cc[nH]c2c1=O
CC=CCn1cc(-c2ccc(cc2)C(C)C)c2cc[nH]c2c1=O
CC=CCn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
CC=CCn1cc(-c2cccc(c2)C(=O)NC(C)C)c2cc[nH]c2c1=O
COc1ccc(cc1-c1cn(CC=CC)c(=O)c2[nH]ccc12)C#N
C\C=C\Cn1cc(-c2cccc(C(N)=O)c2F)c2cc[nH]c2c1=O
C\C=C\Cn1cc(-c2cc(ccc2F)C(N)=O)c2cc[nH]c2c1=O
O=c1n(Cc2ccco2)cc(-c2ccccc2)c2cc[nH]c12
COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(=O)NC1CC1
COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(=O)NC1CCOC1
COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(=O)NCC(F)F
COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(=O)NC1CCC1
COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(=O)NCC1CC1
CCCCn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc(C)[nH]c2c1=O
C\C=C\Cn1cc(-c2ccc3NC(=O)CC(C)Nc3c2)c2cc[nH]c2c1=O
Cc1nnc2ccc3n(Cc4ccccc4)ccc3n12
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Cc1nnc2ccc3[nH]ccc3n12
CC(c1ccccc1)n1ccc2c1ccc1nnc(C)n21
Cc1cc2c(ccc3nnc(C)n23)n1CCc1ccccc1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccccn1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1Cl
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(Cl)cc1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccnc1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccncc1
Cc1cc2c(ccc3nnc(C)n23)n1CC1CCCC1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1F
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(F)c1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(F)cc1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1C
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(C)c1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(C)cc1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(c1)C#N
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc2ccccc2n1
COc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(O)c1
CCCCC(c1ccccc1)n1c(C)cc2c1ccc1nnc(C)n21
CC(=O)Nc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CO)c1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CC(O)C2)c1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCC2)c1
Cc1cc2c(ccc3nnc(C)n23)n1C(CO)c1ccccc1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(c1)C(N)=O
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(c1)C(=O)NO
CNC(=O)c1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
CCNC(=O)c1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
COc1ccc(Cn2c(C)cc3c2ccc2nnc(C)n32)cc1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(O)cc1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CNCCO)c1
CN(CCO)Cc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCOCC2)c1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN[C@H]2C[C@H](O)C2)c1 |r,wU:24.27,wD:22.24,(4.32,-.16,;3.55,-1.49,;4.17,-2.9,;3.03,-3.93,;1.69,-3.16,;.36,-3.93,;.36,-5.47,;1.69,-6.24,;2.01,-7.75,;3.55,-7.91,;4.17,-6.5,;5.66,-6.1,;3.03,-5.47,;2.01,-1.65,;.93,-.56,;1.32,.92,;2.81,1.32,;3.21,2.81,;2.12,3.9,;.63,3.5,;-.45,4.59,;-1.94,4.19,;-3.03,5.28,;-3.03,6.82,;-4.57,6.82,;-5.66,7.91,;-4.57,5.28,;.24,2.01,)|
CN(C)Cc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
CNCc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
CCNCc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
CCNC(=O)Nc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(NC(N)=O)c1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCCC2)c1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCCCC2)c1
CN1CCN(Cc2cccc(Cn3c(C)cc4c3ccc3nnc(C)n43)c2)CC1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCNCC2)c1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(CO)cc1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(CN2CCC2)cc1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(CN2CCCC2)cc1
Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(CN2CC(O)C2)cc1
CN(C)Cc1ccc(Cn2c(C)cc3c2ccc2nnc(C)n32)cc1
COC1CN(Cc2cccc(Cn3c(C)cc4c3ccc3nnc(C)n43)c2)C1
Cc1nc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Cc1nnc2ccc3n(Cc4ccccc4)c(CO)cc3n12
Cc1nnc2ccc3n(Cc4ccccc4)c(Cn4ccnc4)cc3n12
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(N)=O
CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)N1CC(C1)C#N
Cc1nnc2ccc3n(Cc4ccccc4)c(CCO)cc3n12
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn[nH]1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn[nH]c1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cnn(CC#N)c1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(CC#N)n1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cscn1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1nccs1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccccn1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cncs1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn(C)cn1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cncn1C
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccsc1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cccs1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1c[nH]cn1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn(CCN2CCOCC2)cn1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(C)n1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(CCN2CCOCC2)n1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(CCC#N)n1
CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
CCn1cnc(c1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn(CCC#N)cn1
CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
CCCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
CC(C)NC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)NC1CCC1
C[C@@H](NC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1)C(F)(F)F |r|
CC(CC#N)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1 |w:1.0|
CC(Cn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1)C#N |w:1.0|
CN(C)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(n1)C1(CC#N)CNC1
CC(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
CN1CC(CC#N)(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
CN(C)C(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
CN(C)C(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
CCNC(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
CNC(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(CCC(N)=O)n1
CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)N[C@H]1C[C@@H](C1)C#N |r,wU:23.26,wD:25.31,(.91,-5.01,;-.57,-5.41,;-1.2,-6.82,;-2.73,-6.66,;-3.05,-5.15,;-4.38,-4.38,;-4.38,-2.84,;-3.05,-2.07,;-2.73,-.56,;-3.82,.52,;-3.42,2.01,;-1.93,2.41,;-1.53,3.9,;-2.62,4.99,;-4.11,4.59,;-4.51,3.1,;-1.2,-.4,;-.57,-1.81,;-1.72,-2.84,;-1.72,-4.38,;-.43,.93,;-1.2,2.26,;1.11,.93,;1.88,2.26,;1.48,3.75,;2.98,4.17,;3.37,2.66,;3.75,5.5,;4.52,6.84,)|
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)N[C@H]1C[C@H](C1)C#N |r,wU:23.26,25.31,(.91,-5.01,;-.57,-5.41,;-1.2,-6.82,;-2.73,-6.66,;-3.05,-5.15,;-4.38,-4.38,;-4.38,-2.84,;-3.05,-2.07,;-2.73,-.56,;-3.82,.52,;-3.42,2.01,;-1.93,2.41,;-1.53,3.9,;-2.62,4.99,;-4.11,4.59,;-4.51,3.1,;-1.2,-.4,;-.57,-1.81,;-1.72,-2.84,;-1.72,-4.38,;-.43,.93,;-1.2,2.26,;1.11,.93,;1.88,2.26,;1.48,3.75,;2.98,4.17,;3.37,2.66,;3.75,5.5,;4.52,6.84,)|
CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(F)c1
CN(C)C(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(=O)N2CCC2)n1
CN1CCN(CC1)C(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
CC(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
CC(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=N)\C=C/NC1CN(C1)S(C)(=O)=O
CCN1CC(CC#N)(C1)N\C=C/C(=N)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
CC(C)N1CC(CC#N)(C1)N\C=C/C(=N)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Cc1nnc2ccc3n(Cc4ccccc4)ncc3n12
CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NCC1CC1
CN(C)CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)N1CCOCC1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NCCO
CN1CC(C1)NC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NCCN1CCOCC1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NC(C)(C)C
CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCC2)c1
CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCC2)c1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)NCCCO
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)NCC1CNC1
CC(C)CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)NCc1ccncc1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NCCCO
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NCC1CNC1
CC(C)CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NCc1ccncc1
CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCC2)c1
CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCCC2)c1
CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCCC2)c1
CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCC(F)(F)C2)c1
CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CC(C)(C)C2)c1
CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(c1)C(F)(F)F
CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(c1)C(F)(F)F
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(F)(F)F
Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CC(O)C5)c4)c(cc3n12)C(=N)OC=N
Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCC5)c4)c(cc3n12)C(=N)OC=N
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=N)OC=N
CNC(=O)Nc1cc2n(Cc3cc(Cl)cc(CN4CCCC4)c3)c(C)cc2n2c(C)nnc12
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ncco1
CN1CCCC(C1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
CN1CCC(C1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Cc1cc2c(cc(NC3CCOCC3)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(N[C@@H]3CCOC3)c3nnc(C)n23)n1Cc1ccccc1 |r|
Cc1cc2c(cc(N[C@H]3CCOC3)c3nnc(C)n23)n1Cc1ccccc1 |r|
Cc1cc2c(cc(N[C@@H]3CCN(C3)C(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1 |r|
Cc1cc2c(cc(N[C@H]3CCN(C3)C(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1 |r|
Cc1cc2c(cc(N[C@@H]3CCNC3)c3nnc(C)n23)n1Cc1ccccc1 |r|
Cc1cc2c(cc(N[C@H]3CCNC3)c3nnc(C)n23)n1Cc1ccccc1 |r|
CN1CCC(CC1)Nc1cc2n(Cc3ccccn3)c(C)cc2n2c(C)nnc12
CN1CCC(CC1)Nc1cc2n(Cc3cccnc3)c(C)cc2n2c(C)nnc12
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn[nH]1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1CNC1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1(CC#N)CNC1
CCN1CC(CC#N)(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(N)=O)n1
CCN1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
CN(C)S(=O)(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
CN(C)CC(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
CCC(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1CN(C1)C(=O)C1CC1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1CN(C1)S(=O)(=O)C1CC1
CCS(=O)(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
CCOC(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(=O)NC2COC2)n1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(=O)N2CCOCC2)n1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(=O)NC2CCOCC2)n1
CN1CC(C1)NC(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1c[nH]cn1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCCO)n1
CNC(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
CCNC(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(=O)NC(C)(C)C)n1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1COC1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCO)n1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1CN(CCO)C1
CN1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1CN(CCC#N)C1
Cc1nnc2ccc3n(Cc4cccc(CN5CCC5)c4)c(cc3n12)C(=N)\C=C/N
Cc1nnc2ccc3n(Cc4cccc(CN5CCC5)c4)c(cc3n12)-c1ccn(CCC#N)n1
Cc1nnc2ccc3n(Cc4cccc(CN5CCC5)c4)c(cc3n12)-c1ccn(C)n1
Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCC5)c4)c(cc3n12)-c1ccn(C)n1
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C1CCNC1
CC(=O)N1CCC(C1)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCC2)c1
CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCCC2)c1
Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCCC5)c4)c(cc3n12)-c1ccn(C)n1
CN(C)Cc1cc(Cl)cc(Cn2c(cc3c2ccc2nnc(C)n32)-c2ccn(C)n2)c1
Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCOCC5)c4)c(cc3n12)-c1ccn(C)n1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C1=NCCO1 |t:25|
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ncco1
Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCC5)c4)c(cc3n12)-c1ncco1
Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CC(C)(C)C5)c4)c(cc3n12)-c1ncco1
Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCCC5)c4)c(cc3n12)-c1ncco1
Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CC(O)C5)c4)c(cc3n12)-c1ncco1
Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCC(O)C5)c4)c(cc3n12)-c1ncco1
Cc1cc2c(cc(Nc3cc[nH]n3)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(Nc3ncccn3)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(Nc3ccn(C)n3)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(Nc3nc4ccccc4o3)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(O)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(Nc3nc4ccccc4[nH]3)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(NC3CCNCC3)c3nnc(C)n23)n1Cc1ccccc1
CN1CCC(CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Cc1cc2c(cc(NCCN3CCOCC3)c3nnc(C)n23)n1Cc1ccccc1
COCCNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Cc1cc2c(cc(NCCO)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(NC3CCN(CC3)S(C)(=O)=O)c3nnc(C)n23)n1Cc1ccccc1
CCN1CCC(CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
CC(C)N1CCC(CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Cc1cc2c(cc(NC3CCN(CC3)C(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(N[C@H]3CC[C@H](CC3)C#N)c3nnc(C)n23)n1Cc1ccccc1 |r,wU:8.7,11.14,(5.98,-5.35,;5.21,-6.68,;5.83,-8.09,;4.69,-9.12,;3.35,-8.35,;2.02,-9.12,;2.02,-10.66,;.69,-11.43,;-.65,-10.66,;-1.98,-11.43,;-3.31,-10.66,;-3.31,-9.12,;-1.98,-8.35,;-.65,-9.12,;-4.65,-8.35,;-5.98,-7.58,;3.35,-11.43,;3.67,-12.94,;5.21,-13.1,;5.83,-11.69,;7.32,-11.29,;4.69,-10.66,;3.67,-6.84,;2.59,-5.75,;2.98,-4.27,;4.47,-3.87,;4.87,-2.38,;3.78,-1.29,;2.29,-1.69,;1.9,-3.18,)|
CC(=O)N1CCC(CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Cc1cc2c(cc(N[C@H]3CC[C@H](N)CC3)c3nnc(C)n23)n1Cc1ccccc1 |r,wU:11.11,wD:8.7,(4.64,1.85,;3.87,.51,;4.5,-.89,;3.35,-1.93,;2.02,-1.16,;.68,-1.93,;.68,-3.47,;-.65,-4.24,;-1.98,-3.47,;-1.98,-1.93,;-3.32,-1.16,;-4.65,-1.93,;-5.98,-1.16,;-4.65,-3.47,;-3.32,-4.24,;2.02,-4.24,;2.34,-5.74,;3.87,-5.9,;4.5,-4.5,;5.98,-4.1,;3.35,-3.47,;2.34,.35,;1.25,1.44,;1.65,2.93,;3.14,3.33,;3.53,4.81,;2.45,5.9,;.96,5.5,;.56,4.02,)|
Cc1cc2c(cc(N[C@@H]3CC[C@H](N)CC3)c3nnc(C)n23)n1Cc1ccccc1 |r,wU:8.7,11.11,(4.64,1.85,;3.87,.51,;4.5,-.89,;3.35,-1.93,;2.02,-1.16,;.68,-1.93,;.68,-3.47,;-.65,-4.24,;-1.98,-3.47,;-1.98,-1.93,;-3.32,-1.16,;-4.65,-1.93,;-5.98,-1.16,;-4.65,-3.47,;-3.32,-4.24,;2.02,-4.24,;2.34,-5.74,;3.87,-5.9,;4.5,-4.5,;5.98,-4.1,;3.35,-3.47,;2.34,.35,;1.25,1.44,;1.65,2.93,;3.14,3.33,;3.53,4.81,;2.45,5.9,;.96,5.5,;.56,4.02,)|
CN[C@H]1CC[C@@H](CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r,wU:2.1,wD:5.8,(-6.65,-1.93,;-5.32,-1.16,;-3.98,-1.93,;-2.65,-1.16,;-1.32,-1.93,;-1.32,-3.47,;-2.65,-4.24,;-3.98,-3.47,;.02,-4.24,;1.35,-3.47,;1.35,-1.93,;2.69,-1.16,;3.01,.35,;1.92,1.44,;2.31,2.93,;3.8,3.33,;4.2,4.81,;3.11,5.9,;1.62,5.5,;1.23,4.02,;4.54,.51,;5.31,1.85,;5.16,-.89,;4.02,-1.93,;4.02,-3.47,;5.16,-4.5,;6.65,-4.1,;4.54,-5.9,;3.01,-5.74,;2.69,-4.24,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r,wU:3.2,wD:6.9,(-6.65,-1.93,;-5.32,-1.16,;-5.32,.38,;-3.98,-1.93,;-2.65,-1.16,;-1.32,-1.93,;-1.32,-3.47,;-2.65,-4.24,;-3.98,-3.47,;.02,-4.24,;1.35,-3.47,;1.35,-1.93,;2.69,-1.16,;3.01,.35,;1.92,1.44,;2.31,2.93,;3.8,3.33,;4.2,4.81,;3.11,5.9,;1.62,5.5,;1.23,4.02,;4.54,.51,;5.31,1.85,;5.16,-.89,;4.02,-1.93,;4.02,-3.47,;5.16,-4.5,;6.65,-4.1,;4.54,-5.9,;3.01,-5.74,;2.69,-4.24,)|
CN[C@H]1CC[C@H](CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r,wU:5.8,2.1,(-6.65,-1.93,;-5.32,-1.16,;-3.98,-1.93,;-2.65,-1.16,;-1.32,-1.93,;-1.32,-3.47,;-2.65,-4.24,;-3.98,-3.47,;.02,-4.24,;1.35,-3.47,;1.35,-1.93,;2.69,-1.16,;3.01,.35,;1.92,1.44,;2.31,2.93,;3.8,3.33,;4.2,4.81,;3.11,5.9,;1.62,5.5,;1.23,4.02,;4.54,.51,;5.31,1.85,;5.16,-.89,;4.02,-1.93,;4.02,-3.47,;5.16,-4.5,;6.65,-4.1,;4.54,-5.9,;3.01,-5.74,;2.69,-4.24,)|
CN(C)[C@@H]1CC[C@@H](CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r,wU:6.9,3.2,(-6.65,-1.93,;-5.32,-1.16,;-5.32,.38,;-3.98,-1.93,;-3.98,-3.47,;-2.65,-4.24,;-1.32,-3.47,;-1.32,-1.93,;-2.65,-1.16,;.02,-4.24,;1.35,-3.47,;1.35,-1.93,;2.69,-1.16,;3.01,.35,;1.92,1.44,;2.31,2.93,;3.8,3.33,;4.2,4.81,;3.11,5.9,;1.62,5.5,;1.23,4.02,;4.54,.51,;5.31,1.85,;5.16,-.89,;4.02,-1.93,;4.02,-3.47,;5.16,-4.5,;6.65,-4.1,;4.54,-5.9,;3.01,-5.74,;2.69,-4.24,)|
C[C@@H]1C[C@@H](CCN1C)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r|
C[C@H]1C[C@@H](CCN1C)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r|
CN1[C@H]2CC[C@@H]1C[C@@H](C2)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r,TLB:0:1:4.3:7.6.8|
Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C#N
Cc1cc2c(cc(NCC3CC3)c3nnc(C)n23)n1Cc1ccccc1
CNC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1cccc(c1)C(F)(F)F
Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1cc2c(cc(NC3CCCCC3)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1cc(F)cc(F)c1
Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1ccc(F)c(F)c1
Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1cccc(F)c1
Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1ccc(F)cc1F
Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1cccc(F)c1F
Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1ccccc1F
Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1ccc(F)cc1
Cc1cc2c(cc(Nc3ccccn3)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(NCC3CCC3)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(NCC3CN(C3)C(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(NC3CN(C3)C(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1
CN(C)CCCNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
CN(C)CCNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Cc1cc2c(cc(N[C@H]3C[C@H](O)C3)c3nnc(C)n23)n1Cc1ccccc1 |r,wU:10.10,wD:8.7,(2.52,3.64,;1.75,2.31,;2.37,.9,;1.23,-.13,;-.1,.64,;-1.44,-.13,;-1.44,-1.67,;-2.77,-2.44,;-2.77,-3.98,;-3.86,-5.07,;-2.77,-6.16,;-2.77,-7.7,;-1.68,-5.07,;-.1,-2.44,;.22,-3.95,;1.75,-4.11,;2.37,-2.7,;3.86,-2.3,;1.23,-1.67,;.22,2.15,;-.87,3.24,;-.47,4.72,;1.01,5.12,;1.41,6.61,;.32,7.7,;-1.17,7.3,;-1.56,5.81,)|
Cc1cc2c(cc(NC(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1
CCNC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
CC(C)NC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
CN(C)C(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(Nc3ncc[nH]3)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1c(F)cccc1F
Cc1cc2c(cc(Nc3ccncc3)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(Nc3cccnc3)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(NCCCN)c3nnc(C)n23)n1Cc1ccccc1
Cc1cc2c(cc(NCCN)c3nnc(C)n23)n1Cc1ccccc1
CCNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Cc1cc2c(cc(Nc3ccccc3)c3nnc(C)n23)n1Cc1ccccc1
CNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
CCCNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
CC(C)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
COc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
CC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
CCCC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
CCC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Cc1cc2c(cc(NC(=O)C3CC3)c3nnc(C)n23)n1Cc1ccccc1
CC(C)C(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Cc1cc2c(cc(NS(C)(=O)=O)c3nnc(C)n23)n1Cc1ccccc1
COC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
CC(C)S(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2Cl)n1)-c1cc(C)c(=O)n(C)c1 |$_AV:3;2;1;;;;;4;5;6;1;2;;1;6;;5;4;3;2;;3;3;4;5;;6;;1;;2$|
COc1cccc(C#N)c1Oc1nc(NS(=O)(=O)C(C)C)cc(n1)-c1cc(C)c(=O)n(C)c1
CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2Cl)n1)-c1cc(C)c(=O)n(C)c1
CC(C)S(=O)(=O)Nc1cc(nc(Oc2c(C)cc(Cl)cc2Cl)n1)-c1cc(C)c(=O)n(C)c1
CCCCS(=O)(=O)Nc1cc(nc(Oc2c(Cl)cccc2CC)n1)-c1cc(C)c(=O)n(C)c1
Cc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C2CCCC2)nc(Oc2ccc(F)cc2F)n1
CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2C)n1)-c1cc(C)c(=O)n(C)c1
CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2C)n1)-c1cc(Cl)c(=O)n(C)c1
CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2F)n1)-c1ccc(=O)n(C)c1
Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3cccnc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccccn3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccncc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccccc3S(C)(=O)=O)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccc(cc3)C#N)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccccc3NC(C)=O)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3cccc(c3)S(N)(=O)=O)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccccc3S(N)(=O)=O)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3cccc(c3)-c3cnco3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\C3CCCCC3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3oc4ccccc4c3C)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)ccc4c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccc(C)cc3)c2N1 |r|
COc1ccc(\C=C\c2cccc3NC(=O)C[C@@H](C)Nc23)cc1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3cccc(C)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3cccc(NC(C)=O)c3)c2N1 |r|
CC(C)n1ccc2cc(ccc12)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4N(C)C(=O)Cc4c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4N(C)C(=O)C(C)(C)c4c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4N(C)CCc4c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)c2N1 |r|
CNc1ccc(cc1C=N)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CCn1c(cc2ccccc12)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CCCn1c(cc2ccccc12)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4n3CCc3ccccc3)c2N1 |r|
CCOCCn1c(cc2ccccc12)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
COCCn1c(cc2ccccc12)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)C(=N)c1cc(ccc1NC)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)C(=N)c1cc(ccc1N)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CC[C@@H](C)Nc1ccc(cc1C(=N)C1CC1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CC[C@H](C)Nc1ccc(cc1C(=N)C1CC1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@H](CC#N)Nc1ccc(cc1C(=N)C1CC1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H](CC#N)Nc1ccc(cc1C(=N)C1CC1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(\C(C=N)=C\NC(C)(C)CO)c2N1 |r|
CNc1ncc(cc1C(=N)C1CC1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(\C(C=N)=C\Nc3ccccn3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(cc3)S(=O)=O)c2N1 |r|
CC(C)N\C(C)=C(/C=N)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(cc3)C(C)(C)O)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C(/C)c3ccccc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C(\C)c3ccccc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C(F)=C(/C)c3ccc(cc3)C#N)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C(F)=C\c3ccc(cc3)C#N)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C(F)=C(\C)c3ccc(cc3)C#N)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C(C)=C\c3ccccc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(C(=N)\C=C(\C)NCc3ccccc3)c2N1 |r|
CN\C=C(/C(=N)Cc1ccccc1)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CCCc1c(-c2cccc3NC(=O)C[C@@H](C)Nc23)n(C)c2ccccc12 |r,wU:14.14,(-5.06,-1.58,;-3.57,-1.98,;-2.48,-.89,;-1,-1.29,;.25,-.38,;.25,1.16,;-1.08,1.93,;-1.08,3.47,;.25,4.24,;1.58,3.47,;2.79,4.43,;4.29,4.09,;5.06,5.42,;4.96,2.7,;4.29,1.31,;5.06,-.02,;2.79,.97,;1.58,1.93,;1.5,-1.29,;2.83,-.52,;1.02,-2.75,;1.79,-4.09,;1.02,-5.42,;-.52,-5.42,;-1.29,-4.09,;-.52,-2.75,)|
C[C@@H]1CC(=O)Nc2cccc(-c3c(C)c4ccccc4n3C(C)(C)C)c2N1 |r,wU:1.0,(4.32,-.02,;3.55,1.31,;4.21,2.7,;3.55,4.09,;4.32,5.42,;2.04,4.43,;.84,3.47,;-.49,4.24,;-1.83,3.47,;-1.83,1.93,;-.49,1.16,;-.49,-.38,;.75,-1.29,;2.09,-.52,;.28,-2.75,;1.05,-4.09,;.28,-5.42,;-1.26,-5.42,;-2.03,-4.09,;-1.26,-2.75,;-1.74,-1.29,;-3.23,-.89,;-4.32,-1.98,;-2.14,.2,;-3.63,.6,;.84,1.93,;2.04,.97,)|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C5CC5)c4c3)c2N1 |r|
CNc1ccc(cc1C(=N)C(N)=O)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CNc1ccc(cc1C(=N)C#N)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccc(cc4n3C)-c3cnn(C)c3)c2N1 |r|
CN\C=C(/C=N)c1cccc2cc(-c3cccc4NC(=O)C[C@@H](C)Nc34)n(C)c12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3nn(C)c4CCCCc34)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C(C=N)=C\Nc3ccccc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C(C=N)=C\Nc3cccnc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C(C=N)=C\Nc3ccncc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(C(=O)NCc3ccccc3OC(F)(F)F)c2N1 |r|
CC(C)Oc1cccc(NC(=O)c2cccc3NC(=O)C[C@H](C)Nc23)c1 |r|
CC(C)Oc1cccc(NC(=O)c2cccc3NC(=O)C[C@@H](C)Oc23)c1 |r|
C[C@@H]1CC(=O)Nc2cccc(C(=O)NC(c3ccccc3)c3ccccc3)c2N1 |r|
COc1ccc(NC(=O)c2cccc3NC(=O)C[C@@H](C)Nc23)cc1 |r|
C[C@@H]1CC(=O)Nc2cccc(C(=O)N[C@@H]3CCOc4ccccc34)c2N1 |r|
CC[C@@H](NC(=O)c1cccc2NC(=O)C[C@@H](C)Nc12)c1ccccc1 |r|
COc1cccc(NC(=O)c2cccc3NC(=O)C[C@@H](C)Nc23)c1 |r|
CCOc1cccc(NC(=O)c2cccc3NC(=O)C[C@@H](C)Nc23)c1 |r|
C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(OC4COC4)c3)c2N1 |r|
CC(C)Oc1cncc(NC(=O)c2cccc3NC(=O)C[C@@H](C)Nc23)c1 |r|
C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3ccc(cc3)C#N)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(C(=O)OCc3ccccc3)c2N1 |r|
CNc1ccc(cc1C(=N)C1CC1)-c1ccc(Cl)c2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2c(Cl)ccc(\C(C=N)=C\NC(C)(C)C)c2N1 |r|
CNc1ccc(cc1C(=N)C1CC1)-c1ccc(C)c2NC(=O)C[C@@H](C)Nc12 |r|
CNc1ccc(cc1C(=N)C1CC1)-c1ccc(C#N)c2NC(=O)C[C@@H](C)Nc12 |r|
CNc1ccc(cc1C(=N)C1CC1)-c1ccc(F)c2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)C(=N)c1cc(ccc1NC)-c1ccc(F)c2NC(=O)C[C@@H](C)Nc12 |r|
CNc1ccc(cc1C(=N)C1CC1)-c1ccc(OC)c2NC(=O)C[C@@H](C)Nc12 |r|
CNc1ccc(cc1C(=N)C1CC1)-c1cc(Cl)cc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cc(Cl)cc(\C(C=N)=C\NC(C)(C)C)c2N1 |r|
CNc1ccc(cc1C(=N)C1CC1)-c1cncc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)C(=N)c1cc(ccc1NC)-c1cncc2NC(=O)C[C@@H](C)Nc12 |r|
CNc1ccc(cc1C(=N)C1CC1)-c1cc(cc2NC(=O)C[C@@H](C)Nc12)C(F)(F)F |r|
CNc1ccc(cc1C(=N)C1CC1)-c1cc(F)cc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4n3S(=O)(=O)Cc3ccccc3)c2N1 |r|
CN\C=C(/C=N)C(=N)c1cc(ccc1NC)-c1nccc2NC(=O)C[C@@H](C)Nc12 |r|
CC1CC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2O1
C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2O1 |r|
C[C@H]1CC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2O1 |r|
C[C@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2O1 |r|
COc1ccc(\C=C\c2cccc3NC(=O)C[C@@H](C)Oc23)cc1 |r|
COc1ccc(\C=C\c2cccc3NC(=O)C[C@H](C)Oc23)cc1 |r|
COc1ccc(cc1)C(=C)c1cccc2NC(=O)C[C@@H](C)Oc12 |r|
COc1ccc(cc1)C(=C)c1cccc2NC(=O)C[C@H](C)Oc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(C)o3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3ccc(cc3)C#N)c2O1 |r|
C[C@H]1CC(=O)Nc2cccc(C(=O)Nc3ccc(cc3)C#N)c2O1 |r|
CC1Cc2c(NC(=O)C1)cccc2-c1ccc2n(C)nc(C3CC3)c2c1
CNc1ccc(cc1C(=N)C1CC1)-c1cccc2NC(=O)C[C@@H](C)Cc12 |r|
CNc1ccc(cc1C(=N)C1CC1)-c1cccc2NC(=O)C[C@H](C)Cc12 |r|
C[C@@H]1CC(=O)Nc2ccc(O)cc2O1 |r|
C[C@H](Oc1ccc2NC(=O)C[C@@H](C)Oc2c1)c1ccccc1 |r|
C[C@@H]1CC(=O)Nc2ccc(OCC3CC3)cc2O1 |r|
CC(C)COc1ccc2NC(=O)C[C@@H](C)Oc2c1 |r|
C[C@@H]1CC(=O)Nc2ccc(OCc3cccnc3)cc2O1 |r|
C[C@@H]1CC(=O)Nc2ccc(OCc3ccncc3)cc2O1 |r|
C[C@@H]1CC(=O)Nc2ccc(OCc3ccccn3)cc2O1 |r|
C[C@@H](Oc1ccc2NC(=O)C[C@@H](C)Oc2c1)c1ccccc1 |r|
C[C@@H]1CC(=O)Nc2ccc(OCC3CCCCC3)cc2O1 |r|
CC(Oc1ccc2NC(=O)C[C@@H](C)Oc2c1)c1ccccn1 |r|
C[C@@H]1CC(=O)Nc2ccc(OCCc3ccccc3)cc2O1 |r|
CC(Oc1ccc2NC(=O)C[C@@H](C)Nc2c1)c1ccccc1 |r|
C[C@@H]1CC(=O)Nc2ccc(OCc3ccccc3)cc2N1 |r|
C[C@@H]1CC(=O)Nc2ccc(cc2N1)O[C@H](C)c3ccccc3
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccccc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccccc3S(=O)(=O)NC(C)(C)C)c2N1 |r,w:13.12|
C[C@@H]1CC(=O)Nc2cccc(C)c2O1 |r|
C[C@@H]1CC(=O)Nc2cc(C)ccc2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(OCc3ccccc3)c2N1 |r|
CC1CC(=O)Nc2cccc(C)c2N1
C[C@@H]1CC(=O)Nc2ccccc2N1
CC[C@@H]1CC(=O)Nc2ccccc2N1 |r|
C[C@H]1CC(=O)Nc2ccccc2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(C#Cc3ccccc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(C#CC3CCCCC3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(C#CCc3ccccc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(C#C[Si](C)(C)C)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(C#CC3CCCCC3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4o3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4s3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccccc3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4n3C)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3[nH]c4ccccc4c3C)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)ccc4c3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cnn(c3)C(C)(C)C)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cnc4ccccc4c3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4CN(CCc4s3)C(=O)OC(C)(C)C)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cnn(c3)-c3ccccc3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3c(C)c4ccccc4n3C)c2O1 |r,wD:1.0,(1.77,3.61,;2.17,2.12,;3.71,2.01,;4.57,.73,;6.06,1.13,;4.12,-.74,;2.69,-1.3,;2.69,-2.84,;1.35,-3.61,;.02,-2.84,;.02,-1.3,;-1.31,-.53,;-1.48,1,;-.33,2.03,;-2.98,1.32,;-3.75,2.66,;-5.29,2.66,;-6.06,1.32,;-5.29,-.01,;-3.75,-.01,;-2.72,-1.16,;-3.12,-2.64,;1.35,-.53,;1.12,.99,)|
C[C@@H]1CC(=O)Nc2cccc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cnn(c3C)-c3ccccc3)c2O1 |r|
CC(C)n1cc(cn1)-c1cccc2NC(=O)C[C@@H](C)Oc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cn(C)c4ccccc34)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)ncc4c3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(c2O1)-c1ccc2n(C)ncc2c1C |r|
C[C@@H]1CC(=O)Nc2cccc(c2O1)-c1ccc2nn(C)cc2c1C |r|
C[C@@H]1CC(=O)Nc2cccc(c2O1)-c1cc2cnn(C)c2cc1C |r|
C[C@@H]1CC(=O)Nc2cccc(c2O1)-c1cc2cn(C)nc2cc1C |r|
COc1ccc2n(C)c(cc2c1)-c1cccc2NC(=O)C[C@@H](C)Oc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4c(Cl)cccc4n3C)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccc(Cl)cc4n3C)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4nccn4c3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C)c4c3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C5CC5)c4c3)c2O1 |r|
CC(C)n1ncc2cc(ccc12)-c1cccc2NC(=O)C[C@@H](C)Oc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4[nH]ncc4c3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4o3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4n3C)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cnn(c3)C(C)(C)C)c2N1 |r|
CC(c1ccccc1)n1cc(cn1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(C)c(C)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4CC(=O)Nc4c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4NC(=O)Cc4c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cnn(c3)S(C)(=O)=O)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(c3)S(N)(=O)=O)c2N1 |r|
CNS(=O)(=O)c1cccc(c1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H](c1ccccc1)n1cc(c(C)n1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CC(c1ccccc1)n1ncc(c1C)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cnn(Cc4ccccc4)c3)c2N1 |r|
CC(C)n1cc(cn1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cnn(c3)C3COC3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(c3)S(C)(=O)=O)c2N1 |r|
COC(=O)c1ccc2c(cn(C)c2c1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4CCCCc4n3C)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccc(cc4n3C)C#N)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cn(C)c4cc(ccc34)S(C)(=O)=O)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccc(cc4n3C)S(C)(=O)=O)c2N1 |r|
COC(=O)c1ccc2cc(-c3cccc4NC(=O)C[C@@H](C)Nc34)n(C)c2c1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cn(C)c4cc(ccc34)C#N)c2N1 |r|
CC1Cc2ccccc2NC(=O)C1
C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(C3Cc4ccccc4O3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(CCc3ccccc3O)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(C#C)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(ncc4c3)S(C)(=O)=O)c2O1 |r|
C[C@@H]1CC(=O)Nc2cccc(CCc3ccccc3)c2N1 |r|
COc1ccccc1NC(=O)c1cccc2NC(=O)CC(C)Nc12
CC1CC(=O)Nc2cccc(C(=O)Nc3ccc4n(C)ccc4c3)c2N1
CC1CC(=O)Nc2cccc(C(=O)Nc3nccc4ccccc34)c2N1
CC1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cccnc3)c2N1
CCc1cccc(NC(=O)c2cccc3NC(=O)CC(C)Nc23)c1
CC1CC(=O)Nc2cccc(C(=O)Nc3cccc(OC(F)(F)C(F)F)c3)c2N1
CC1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-n3ccnc3)c2N1
CC1CC(=O)Nc2cccc(C(=O)Nc3ccc4OCOc4c3)c2N1
CC1CC(=O)Nc2cccc(C(=O)Nc3nn(C)c4ccccc34)c2N1
CC1CC(=O)Nc2cccc(C(=O)Nc3ccc4cn(C)nc4c3)c2N1
CC(C)Oc1cccc(NC(=O)c2cccc3NC(=O)CC(C)Nc23)c1
CC1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)C(F)(F)F)c2N1
CC1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3ccccc3)c2N1
CC1CC(=O)Nc2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2N1
CC1CC(=O)Nc2cccc(C(=O)Nc3cccc(OC(F)(F)F)c3)c2N1
CC1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3nncn3C)c2N1
CC1CC(=O)Nc2cccc(C(=O)Nc3cc(C)[nH]n3)c2N1
CC1CC(=O)Nc2cccc(C(=O)Nc3ccccc3Oc3ccccc3)c2N1
CC1CC(=O)Nc2cccc(C(=O)Nc3cncc(C)c3)c2N1
COc1ccccc1-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(F)c(F)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(c3)C(=N)NN)c2N1 |r|
COc1ccc(F)cc1-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(c3)C#N)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(c2N1)-c1ccccc1OCc1ccccc1 |r|
C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3nn(C)cc3-c3cnn(C)c3)c2N1 |r|
CC(C)c1ccc(cc1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(C)c(F)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(cc3)N(C)C)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(c3)C(N)=O)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cnc4ccccc4c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(Cl)c(C)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cc(C)cc(C)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(NS(C)(=O)=O)cc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(NS(C)(=O)=O)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(cc3)C(=O)N3CCCC3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(N)nc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(OCc4ccccc4)nc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(F)c(Cl)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4OCCOc4c3)c2N1 |r|
COc1cc(OC)cc(c1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(c3)-c3ccccc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(cc3)-c3ccccc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(nc3)N3CCN(C)CC3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(nc3)N3CCOCC3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cnc(N)c(OCC4CC4)c3)c2N1 |r|
CC(C)Oc1cc(cnc1N)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(cc3)N(C)C(=O)OC(C)(C)C)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(CC#N)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(cc3)C(=O)NC3CC3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(c3)C(=O)NC3CC3)c2N1 |r|
COCc1ccc(cc1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(CNC(=O)OC(C)(C)C)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(c2N1)-c1cccc(Cl)c1C |r|
CNC(=O)c1ccc(cc1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(OCc4ccccc4)cc3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(NC(=O)OC(C)(C)C)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(NC(C)=O)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c2N1 |r|
COc1ccc(cn1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CC(C)CN\C=C(/C=N)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(c3)C(F)F)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(c2N1)-c1cccc2nn(C)cc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4cn(C)nc4c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cnc4n(COCC[Si](C)(C)C)cnc4c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccnc(C)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(cc3)C(C)(C)C)c2N1 |r|
CN\C=C1\C=C(C=CC1=N)c1cccc2NC(=O)C[C@@H](C)Nc12 |r,c:4,6|
C[C@@H]1CC(=O)Nc2cccc(c2N1)-c1cccc2[nH]ncc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4OCCc4c3)c2N1 |r|
CC(C)Oc1ccc(cc1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CCN\C=C(/C=N)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(cc3)N3CCCCC3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(cc3)C(=O)N3CCN(C)CC3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(CNS(C)(=O)=O)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc(CNS(C)(=O)=O)cc3)c2N1 |r|
CC(C)c1cccc(c1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CC(C)NC(=O)c1cccc(c1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CNC(=O)c1cccc(c1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
COCc1cccc(c1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(c3)N3CCOCC3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(OCc4ccccc4)c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(c3)N(C)C)c2N1 |r|
C[C@@H](c1ccccc1)n1cc(cn1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@H](c1ccccc1)n1cc(cn1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)c1ccc2N(CCCc2c1)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)c1cc2CCCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)c1cc2CCCN(c2cc1C#N)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)c1ccc2N(CC[C@@H](C)c2c1)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)c1ccc2N(CC[C@H](C)c2c1)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)c1ccc2CCCN(c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |r|
CN\C=C(/C=N)c1cccc(Nc2cccc3NC(=O)C[C@@H](C)Nc23)c1 |r|
CN\C=C(/C=N)c1ccc(Nc2cccc3NC(=O)C[C@@H](C)Nc23)cc1 |r|
CN\C=C(/C=N)c1ccc(Nc2cccc3NC(=O)C[C@@H](C)Nc23)c(F)c1 |r|
CN\C=C(/C=N)c1cc(F)c(Nc2cccc3NC(=O)C[C@@H](C)Nc23)cc1C(F)F |r|
CN\C=C(/C=N)c1cc(F)c(Nc2cccc3NC(=O)C[C@@H](C)Nc23)cc1C#N |r|
CN\C=C(/C=N)c1ccc2N(CCc2c1)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)c1cc2CCN(c2cc1C#N)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
C[C@@H]1CC(=O)Nc2cccc(N3CCc4ccc(cc34)-c3cnn(C)c3)c2N1 |r|
CN\C=C(/C=N)c1cc2CCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)c1cc2CCCN(c2cc1C(F)F)c1nccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)c1cc2N(C)CCN(c3cccc4NC(=O)C[C@@H](C)Nc34)c2cc1C#N |r|
CN\C=C(/C=N)c1cc2[C@H](C)CCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)c1cc2[C@@H](C)CCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)c1cc2C[C@H](C)CN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)c1cc2C[C@@H](C)CN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CNC(=O)c1ccc(cn1)-c1cc2CCCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
CN\C=C(/C=N)c1cc2cccc(-c3cccc4NC(=O)C[C@@H](C)Nc34)c2cn1 |r|
CC(C)C(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:27.29,(6.14,4.2,;5.37,5.53,;6.14,6.86,;3.83,5.53,;3.06,6.86,;3.06,4.2,;3.83,2.86,;3.06,1.53,;1.52,1.53,;.75,2.86,;1.52,4.2,;.75,.19,;1.38,-1.21,;.23,-2.24,;.23,-3.78,;-1.1,-4.55,;-2.44,-3.78,;-3.77,-4.55,;-3.77,-6.09,;-2.44,-6.86,;-5.23,-6.57,;-6.14,-5.32,;-5.23,-4.08,;-6,-2.74,;-2.44,-2.24,;-3.77,-1.47,;-3.77,.07,;-2.44,.84,;-2.44,2.38,;-3.77,3.15,;-3.77,4.69,;-2.44,5.46,;-1.1,4.69,;-1.1,3.15,;-1.1,.07,;-1.1,-1.47,)|
C[C@H]1CN(C[C@@H](C)N1c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O |r,wU:1.0,5.5,wD:24.26,(.73,1.56,;2.21,1.16,;3.3,2.25,;4.79,1.85,;5.19,.36,;4.1,-.73,;4.5,-2.22,;2.61,-.33,;1.52,-1.42,;1.12,-2.91,;-.41,-2.99,;-1.38,-4.18,;-2.9,-3.94,;-3.46,-2.51,;-5,-2.51,;-5.9,-3.75,;-5.13,-5.09,;-7.37,-3.28,;-7.37,-1.74,;-5.9,-1.26,;-5.13,.07,;-2.49,-1.31,;-3.04,.13,;-2.07,1.33,;-.55,1.08,;.22,2.42,;1.76,2.42,;2.53,3.75,;1.76,5.09,;.22,5.09,;-.55,3.75,;.23,-.58,;-.97,-1.55,;5.88,2.94,;5.48,4.42,;7.37,2.54,)|
C[C@H]1CN(CCN1c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O |wD:23.25,1.0,(2.08,3.55,;.54,3.55,;-.23,4.88,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,;-2.54,6.21,;-4.08,6.21,;-1.77,7.55,)|
CC(=O)N1CC2CC1CN2c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.29,(-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-1,4.17,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
CC(=O)NC1(C)CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-4.85,7.55,;-4.08,6.21,;-4.85,4.88,;-2.54,6.21,;-1.77,4.88,;-3.31,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)C(C)=O |(-1.77,7.55,;-2.54,6.21,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,;-4.08,6.21,;-4.85,7.55,;-4.85,4.88,)|
C[C@H]1CN(CCN1C(C)=O)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.28,1.0,(-4.08,3.55,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;-1.77,4.88,;-2.54,6.21,;-4.08,6.21,;-1.77,7.55,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
CCC(=O)N1CCN(C[C@@H]1C)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,9.10,(-4.85,7.55,;-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-.23,2.21,;-1.77,2.21,;-2.54,3.55,;-4.08,3.55,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
CC(C)C(=O)N1CCN(C[C@@H]1C)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:28.30,10.11,(-4.85,4.88,;-4.08,6.21,;-4.85,7.55,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-.23,2.21,;-1.77,2.21,;-2.54,3.55,;-4.08,3.55,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
CCCC(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-6.26,8.21,;-5.49,6.88,;-3.95,6.88,;-3.18,5.55,;-3.95,4.21,;-1.64,5.55,;-.87,4.21,;-1.64,2.88,;-.87,1.54,;.67,1.54,;1.44,2.88,;.67,4.21,;1.44,.21,;2.98,.21,;3.55,-1.22,;4.88,-1.99,;4.88,-3.53,;3.55,-4.3,;3.55,-5.84,;2.3,-6.75,;.83,-6.27,;2.78,-8.21,;4.32,-8.21,;4.79,-6.75,;6.26,-6.27,;2.21,-3.53,;.88,-4.3,;-.46,-3.53,;-.46,-1.99,;-1.79,-1.22,;-3.12,-1.99,;-4.46,-1.22,;-4.46,.32,;-3.12,1.09,;-1.79,.32,;.88,-1.22,;2.21,-1.99,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C(C)(C)C)n3C(COc1c23)c1ccccn1 |(.45,-6.27,;1.91,-6.75,;2.39,-8.21,;3.93,-8.21,;4.41,-6.75,;5.87,-6.27,;3.16,-5.84,;3.16,-4.3,;4.49,-3.53,;4.49,-1.99,;3.16,-1.22,;2.6,.21,;1.06,.21,;.29,1.54,;-1.25,1.54,;-2.02,2.88,;-1.25,4.21,;.29,4.21,;1.06,2.88,;-2.02,5.55,;-3.56,5.55,;-4.33,4.21,;-4.33,6.88,;-5.1,8.21,;-3.56,8.21,;-5.87,6.88,;.49,-1.22,;-.84,-1.99,;-.84,-3.53,;.49,-4.3,;1.83,-3.53,;1.83,-1.99,;-2.17,-1.22,;-3.51,-1.99,;-4.84,-1.22,;-4.84,.32,;-3.51,1.09,;-2.17,.32,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C3CC3)n3C(COc1c23)c1ccccn1 |(.35,-6.38,;1.81,-6.85,;2.29,-8.32,;3.83,-8.32,;4.3,-6.85,;5.77,-6.38,;3.06,-5.95,;3.06,-4.41,;4.39,-3.64,;4.39,-2.1,;3.06,-1.33,;2.5,.11,;.96,.11,;.19,1.44,;-1.35,1.44,;-2.12,2.78,;-1.35,4.11,;.19,4.11,;.96,2.78,;-2.12,5.44,;-3.66,5.44,;-4.43,4.11,;-4.43,6.78,;-5.77,7.55,;-4.43,8.32,;.39,-1.33,;-.94,-2.1,;-.94,-3.64,;.39,-4.41,;1.72,-3.64,;1.72,-2.1,;-2.28,-1.33,;-3.61,-2.1,;-4.94,-1.33,;-4.94,.21,;-3.61,.98,;-2.28,.21,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C3CCC3)n3C(COc1c23)c1ccccn1 |(.42,-6.55,;1.89,-7.02,;2.36,-8.49,;3.9,-8.49,;4.38,-7.02,;5.84,-6.55,;3.13,-6.12,;3.13,-4.58,;4.47,-3.81,;4.47,-2.27,;3.13,-1.5,;2.57,-.07,;1.03,-.07,;.26,1.27,;-1.28,1.27,;-2.05,2.6,;-1.28,3.94,;.26,3.94,;1.03,2.6,;-2.05,5.27,;-3.59,5.27,;-4.36,3.94,;-4.36,6.6,;-5.84,7,;-5.45,8.49,;-3.96,8.09,;.47,-1.5,;-.87,-2.27,;-.87,-3.81,;.47,-4.58,;1.8,-3.81,;1.8,-2.27,;-2.2,-1.5,;-3.53,-2.27,;-4.87,-1.5,;-4.87,.04,;-3.53,.81,;-2.2,.04,)|
CCS(=O)(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.44,;-5.1,6.11,;-3.56,6.11,;-3.56,7.65,;-3.56,4.57,;-2.02,6.11,;-1.25,4.78,;-2.02,3.44,;-1.25,2.11,;.29,2.11,;1.06,3.44,;.29,4.78,;1.06,.77,;2.6,.77,;3.16,-.66,;4.49,-1.43,;4.49,-2.97,;3.16,-3.74,;3.16,-5.28,;1.91,-6.18,;.45,-5.71,;2.39,-7.65,;3.93,-7.65,;4.41,-6.18,;5.87,-5.71,;1.83,-2.97,;.49,-3.74,;-.84,-2.97,;-.84,-1.43,;-2.17,-.66,;-3.51,-1.43,;-4.84,-.66,;-4.84,.88,;-3.51,1.65,;-2.17,.88,;.49,-.66,;1.83,-1.43,)|
CCC(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-4.33,4.88,;-2.02,6.21,;-1.25,7.55,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.49,-1.33,;4.49,-2.87,;3.16,-3.64,;3.16,-5.18,;1.91,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.49,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.49,-.56,;1.83,-1.33,)|
CCCC(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-6.26,8.21,;-5.49,6.88,;-3.95,6.88,;-3.18,5.55,;-3.95,4.21,;-1.64,5.55,;-.87,6.88,;-.87,4.21,;-1.64,2.88,;-.87,1.54,;.67,1.54,;1.44,2.88,;.67,4.21,;1.44,.21,;2.98,.21,;3.55,-1.22,;4.88,-1.99,;4.88,-3.53,;3.55,-4.3,;3.55,-5.84,;2.3,-6.75,;.83,-6.27,;2.78,-8.21,;4.32,-8.21,;4.79,-6.75,;6.26,-6.27,;2.21,-3.53,;.88,-4.3,;-.46,-3.53,;-.46,-1.99,;-1.79,-1.22,;-3.12,-1.99,;-4.46,-1.22,;-4.46,.32,;-3.12,1.09,;-1.79,.32,;.88,-1.22,;2.21,-1.99,)|
CC(C)C(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-3.56,8.21,;-4.33,6.88,;-5.87,6.88,;-3.56,5.55,;-4.33,4.21,;-2.02,5.55,;-1.25,6.88,;-1.25,4.21,;-2.02,2.88,;-1.25,1.54,;.29,1.54,;1.06,2.88,;.29,4.21,;1.06,.21,;2.6,.21,;3.16,-1.22,;4.49,-1.99,;4.49,-3.53,;3.16,-4.3,;3.16,-5.84,;1.91,-6.75,;.45,-6.27,;2.39,-8.21,;3.93,-8.21,;4.41,-6.75,;5.87,-6.27,;1.83,-3.53,;.49,-4.3,;-.84,-3.53,;-.84,-1.99,;-2.17,-1.22,;-3.51,-1.99,;-4.84,-1.22,;-4.84,.32,;-3.51,1.09,;-2.17,.32,;.49,-1.22,;1.83,-1.99,)|
CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)C(=O)C(C)(C)C |(-1.25,6.88,;-2.02,5.55,;-1.25,4.21,;-2.02,2.88,;-1.25,1.54,;.29,1.54,;1.06,2.88,;.29,4.21,;1.06,.21,;2.6,.21,;3.16,-1.22,;4.49,-1.99,;4.49,-3.53,;3.16,-4.3,;3.16,-5.84,;1.91,-6.75,;.45,-6.27,;2.39,-8.21,;3.93,-8.21,;4.41,-6.75,;5.87,-6.27,;1.83,-3.53,;.49,-4.3,;-.84,-3.53,;-.84,-1.99,;-2.17,-1.22,;-3.51,-1.99,;-4.84,-1.22,;-4.84,.32,;-3.51,1.09,;-2.17,.32,;.49,-1.22,;1.83,-1.99,;-3.56,5.55,;-4.33,4.21,;-4.33,6.88,;-5.1,8.21,;-3.56,8.21,;-5.87,6.88,)|
CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)C(=O)C1CC1 |(-1.35,6.78,;-2.12,5.44,;-1.35,4.11,;-2.12,2.78,;-1.35,1.44,;.19,1.44,;.96,2.78,;.19,4.11,;.96,.11,;2.5,.11,;3.06,-1.33,;4.39,-2.1,;4.39,-3.64,;3.06,-4.41,;3.06,-5.95,;1.81,-6.85,;.35,-6.38,;2.29,-8.32,;3.83,-8.32,;4.3,-6.85,;5.77,-6.38,;1.72,-3.64,;.39,-4.41,;-.94,-3.64,;-.94,-2.1,;-2.28,-1.33,;-3.61,-2.1,;-4.94,-1.33,;-4.94,.21,;-3.61,.98,;-2.28,.21,;.39,-1.33,;1.72,-2.1,;-3.66,5.44,;-4.43,4.11,;-4.43,6.78,;-5.77,7.55,;-4.43,8.32,)|
CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)C(=O)C1CCC1 |(-1.28,6.6,;-2.05,5.27,;-1.28,3.94,;-2.05,2.6,;-1.28,1.27,;.26,1.27,;1.03,2.6,;.26,3.94,;1.03,-.07,;2.57,-.07,;3.13,-1.5,;4.47,-2.27,;4.47,-3.81,;3.13,-4.58,;3.13,-6.12,;1.89,-7.02,;.42,-6.55,;2.36,-8.49,;3.9,-8.49,;4.38,-7.02,;5.84,-6.55,;1.8,-3.81,;.47,-4.58,;-.87,-3.81,;-.87,-2.27,;-2.2,-1.5,;-3.53,-2.27,;-4.87,-1.5,;-4.87,.04,;-3.53,.81,;-2.2,.04,;.47,-1.5,;1.8,-2.27,;-3.59,5.27,;-4.36,3.94,;-4.36,6.6,;-5.84,7,;-5.45,8.49,;-3.96,8.09,)|
CN(C)C(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-3.56,8.21,;-4.33,6.88,;-5.87,6.88,;-3.56,5.55,;-4.33,4.21,;-2.02,5.55,;-1.25,6.88,;-1.25,4.21,;-2.02,2.88,;-1.25,1.54,;.29,1.54,;1.06,2.88,;.29,4.21,;1.06,.21,;2.6,.21,;3.16,-1.22,;4.49,-1.99,;4.49,-3.53,;3.16,-4.3,;3.16,-5.84,;1.91,-6.75,;.45,-6.27,;2.39,-8.21,;3.93,-8.21,;4.41,-6.75,;5.87,-6.27,;1.83,-3.53,;.49,-4.3,;-.84,-3.53,;-.84,-1.99,;-2.17,-1.22,;-3.51,-1.99,;-4.84,-1.22,;-4.84,.32,;-3.51,1.09,;-2.17,.32,;.49,-1.22,;1.83,-1.99,)|
CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)S(C)(=O)=O |(-1.64,7.44,;-2.41,6.11,;-1.64,4.78,;-2.41,3.44,;-1.64,2.11,;-.1,2.11,;.67,3.44,;-.1,4.78,;.67,.77,;2.21,.77,;2.78,-.66,;4.11,-1.43,;4.11,-2.97,;2.78,-3.74,;2.78,-5.28,;1.53,-6.18,;.06,-5.71,;2.01,-7.65,;3.55,-7.65,;4.02,-6.18,;5.49,-5.71,;1.44,-2.97,;.11,-3.74,;-1.23,-2.97,;-1.23,-1.43,;-2.56,-.66,;-3.89,-1.43,;-5.23,-.66,;-5.23,.88,;-3.89,1.65,;-2.56,.88,;.11,-.66,;1.44,-1.43,;-3.95,6.11,;-5.49,6.11,;-3.95,7.65,;-3.95,4.57,)|
CCS(=O)(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.44,;-5.1,6.11,;-3.56,6.11,;-3.56,7.65,;-3.56,4.57,;-2.02,6.11,;-1.25,7.44,;-1.25,4.78,;-2.02,3.44,;-1.25,2.11,;.29,2.11,;1.06,3.44,;.29,4.78,;1.06,.77,;2.6,.77,;3.16,-.66,;4.49,-1.43,;4.49,-2.97,;3.16,-3.74,;3.16,-5.28,;1.91,-6.18,;.45,-5.71,;2.39,-7.65,;3.93,-7.65,;4.41,-6.18,;5.87,-5.71,;1.83,-2.97,;.49,-3.74,;-.84,-2.97,;-.84,-1.43,;-2.17,-.66,;-3.51,-1.43,;-4.84,-.66,;-4.84,.88,;-3.51,1.65,;-2.17,.88,;.49,-.66,;1.83,-1.43,)|
CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)S(=O)(=O)C1CC1 |(-.97,7.44,;-1.74,6.11,;-.97,4.78,;-1.74,3.44,;-.97,2.11,;.57,2.11,;1.34,3.44,;.57,4.78,;1.34,.77,;2.88,.77,;3.44,-.66,;4.78,-1.43,;4.78,-2.97,;3.44,-3.74,;3.44,-5.28,;2.2,-6.18,;.73,-5.71,;2.67,-7.65,;4.21,-7.65,;4.69,-6.18,;6.15,-5.71,;2.11,-2.97,;.77,-3.74,;-.56,-2.97,;-.56,-1.43,;-1.89,-.66,;-3.23,-1.43,;-4.56,-.66,;-4.56,.88,;-3.23,1.65,;-1.89,.88,;.77,-.66,;2.11,-1.43,;-3.28,6.11,;-3.28,7.65,;-3.28,4.57,;-4.82,6.11,;-6.15,5.34,;-6.15,6.88,)|
CCCC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-2.02,6.21,;-1.25,7.55,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.5,-1.33,;4.5,-2.87,;3.16,-3.64,;3.16,-5.18,;1.92,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.5,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.5,-.56,;1.83,-1.33,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |wD:26.35,(.07,-5.61,;1.53,-6.08,;2.01,-7.55,;3.55,-7.55,;4.02,-6.08,;5.49,-5.61,;2.78,-5.18,;2.78,-3.64,;4.11,-2.87,;4.11,-1.33,;2.78,-.56,;2.21,.88,;.67,.88,;-.1,2.21,;-1.64,2.21,;-2.41,3.55,;-1.64,4.88,;-.1,4.88,;.67,3.55,;-2.41,6.21,;-1.64,7.55,;-3.95,6.21,;-4.72,4.88,;-5.49,6.21,;-4.72,7.55,;.11,-.56,;-1.22,-1.33,;-1.22,-2.87,;.11,-3.64,;1.44,-2.87,;1.44,-1.33,;-2.56,-.56,;-3.89,-1.33,;-5.22,-.56,;-5.22,.98,;-3.89,1.75,;-2.56,.98,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1 |wD:25.35,(-.04,-5.61,;1.43,-6.08,;1.9,-7.55,;3.44,-7.55,;3.92,-6.08,;5.39,-5.61,;2.67,-5.18,;2.67,-3.64,;4.01,-2.87,;4.01,-1.33,;2.67,-.56,;2.11,.88,;.57,.88,;-.2,2.21,;-1.74,2.21,;-2.51,3.55,;-1.74,4.88,;-.2,4.88,;.57,3.55,;-2.51,6.21,;-1.74,7.55,;-4.05,6.21,;-5.39,5.44,;-5.39,6.98,;.01,-.56,;-1.33,-1.33,;-1.33,-2.87,;.01,-3.64,;1.34,-2.87,;1.34,-1.33,;-2.66,-.56,;-3.99,-1.33,;-5.33,-.56,;-5.33,.98,;-3.99,1.75,;-2.66,.98,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C3CCC3)n3[C@H](COc1c23)c1ccccn1 |wD:26.36,(.39,-5.61,;1.85,-6.08,;2.33,-7.55,;3.87,-7.55,;4.34,-6.08,;5.81,-5.61,;3.1,-5.18,;3.1,-3.64,;4.43,-2.87,;4.43,-1.33,;3.1,-.56,;2.53,.88,;.99,.88,;.22,2.21,;-1.32,2.21,;-2.09,3.55,;-1.32,4.88,;.22,4.88,;.99,3.55,;-2.09,6.21,;-1.32,7.55,;-3.63,6.21,;-4.72,5.12,;-5.81,6.21,;-4.72,7.3,;.43,-.56,;-.9,-1.33,;-.9,-2.87,;.43,-3.64,;1.76,-2.87,;1.76,-1.33,;-2.24,-.56,;-3.57,-1.33,;-4.91,-.56,;-4.91,.98,;-3.57,1.75,;-2.24,.98,)|
COCC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-2.02,6.21,;-1.25,7.55,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.5,-1.33,;4.5,-2.87,;3.16,-3.64,;3.16,-5.18,;1.92,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.5,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.5,-.56,;1.83,-1.33,)|
Cn1cc(-c2cccc3NC(=O)C(Oc23)c2ccccc2)c2cc[nH]c2c1=O
CC(C)C1Oc2c(NC1=O)cccc2-c1cn(C)c(=O)c2[nH]ccc12
CC1Oc2c(NC1=O)cccc2-c1cn(C)c(=O)c2[nH]ccc12
CCC1Oc2c(NC1=O)cccc2-c1cn(C)c(=O)c2[nH]ccc12
Cn1cc(-c2cccc3NC(=O)C(Oc23)c2ccccn2)c2cc[nH]c2c1=O
Cn1cc(-c2cccc3NC(=O)C(Oc23)C2CC2)c2cc[nH]c2c1=O
Cn1cc(-c2cccc3NC(=O)C(Oc23)C2CCOCC2)c2cc[nH]c2c1=O
CCC1Oc2c(cccc2-c2cn(C)c(=O)c3[nH]ccc23)N(C)C1=O
COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
COc4cc1NC(=O)C(C(C)C)Oc1c(c2cn(C)c(=O)c3[nH]ccc23)c4
COc4cc1NC(=O)[C@H](C(C)C)Oc1c(c2cn(C)c(=O)c3[nH]ccc23)c4
COc1cc2N(C)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
COc1cc2N(CC(O)=O)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
CNC(=O)CN1C(=O)C(Oc2c1cc(OC)cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
COc1cc2N(CC(N)=O)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
COc1cc2N(CC(=O)N3CCN(C)CC3)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
COc1cc2N(Cc3ccncc3)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
COc1cc2N(CC(C)C)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C#N
CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)C#N)N(C)C1=O
CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)C(N)=O)N(C)C1=O
CNC(=O)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)[N+]([O-])=O
COc1cc2N(C)CC(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CC1
COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1
COc1cc2NC(=O)[C@@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1 |r|
COc1cc2NC(=O)[C@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1 |r|
COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccc(F)cc1Cl
COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C(C)C
COc1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)-c1cnn(C)c1
COc1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12
Cn1cc(-c2cccc3NC(=O)C4(CC4)Oc23)c2cc[nH]c2c1=O
Cn1cc(-c2cccc3NC(=O)C(C)(C)Oc23)c2cc[nH]c2c1=O
Cn1cc(-c2cccc3NC(=O)C(C)(C)Nc23)c2cc[nH]c2c1=O
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(=O)N(C)C
COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CCCC1
COc5cc2NC(=O)[C@@H](C1CCCC1)Oc2c(c3cn(C)c(=O)c4[nH]ccc34)c5
COc5cc2NC(=O)[C@H](C1CCCC1)Oc2c(c3cn(C)c(=O)c4[nH]ccc34)c5
CC(C)C1Oc2c(NC1=O)cc(CO)cc2-c1cn(C)c(=O)c2[nH]ccc12
COCc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
CC(C)C1Oc2c(NC1=O)cc(CN)cc2-c1cn(C)c(=O)c2[nH]ccc12
CCS(=O)(=O)NCc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
CC(C)C1Oc2c(NC1=O)cc(CNC(C)=O)cc2-c1cn(C)c(=O)c2[nH]ccc12
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(N)=O
COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C1CCCC1
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)-c1ccco1
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Cn1cc(-c2cc(cc3NC(=O)C(C)(C)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Cn1cc(-c2cc(cc3NC(=O)C(Oc23)c2ccccc2)S(C)(=O)=O)c2cc[nH]c2c1=O
CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(C)C1=O
CC(C)[C@@H]1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(C)C1=O |r|
CC(C)[C@H]1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(C)C1=O |r|
CCCC1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)=O
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)O
CCS(=O)(=O)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)C(C)C
Cn1cc(-c2cc(cc3NC(=O)C(CC4CC4)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
CCC1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
CCS(=O)(=O)c1cc2NC(=O)C(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(=O)(=O)C(C)C)N(C)C1=O
Cn1cc(-c2cc(cc3NC(=O)C4(CC4)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Cn1cc(-c2cc(cc3NC(=O)C(C)(C)Nc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Cn1cc(-c2cc(cc3NC(=O)C4(CCCC4)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
CC(C)[C@@H]1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O |r|
CC(C)[C@H]1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O |r|
Cn1cc(-c2cc(cc3NC(=O)C4(CCC4)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
CN1C(=O)C2(CC2)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Cn1cc(-c2cc(cc3NC(=O)C4(CCCCC4)Nc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Cn1cc(-c2cc(cc3NC(=O)C4(CC4)Oc23)S(C)(=O)=O)c2cn[nH]c2c1=O
CN1C(=O)C2(CC2)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ncc12)S(C)(=O)=O
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)N(C)C
CNS(=O)(=O)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
CN(C)S(=O)(=O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
CN(C)S(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(=O)(=O)N(C)C)N(C)C1=O
CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)N1CCCCC1
CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
CCS(=O)(=O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
CC(C)S(=O)(=O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
CCS(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
CC(C)S(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
CC(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
CC(O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)=O
CC(O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
C[C@H](O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |r|
C[C@@H](O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |r|
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ncc12)S(C)(=O)=O
CNc1nc(cn2c(C)nnc12)-c1cn(C)nc1Cc1ccccc1
CNc1nc(cn2c(C)nnc12)-c1cnn(C)c1Oc1ccccc1
Cc1nnc2c(C)nc(cn12)-c1cnn(C)c1Oc1ccccc1
CNc1nc(cn2c(C)nnc12)-c1nn(C)c(C)c1Cc1ccccc1
CNc1nc(cn2c(C)nnc12)-c1nn(C)c(C)c1Oc1ccccc1
CNc1nc(cn2c(C)nnc12)-c1nc(c(C)n1Cc1ccccc1)-c1ccccc1
CNc1nc(cn2c(C)nnc12)-c1nc(C)c(C)n1Cc1ccccc1
Cc1nc(-c2cn3c(C)nnc3c(C)n2)n(Cc2ccccc2)c1C
CN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1[C@@H](C)c1ccccc1 |r|
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1[C@H](C)c1ccccc1 |r|
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccc(F)cc1
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccc(F)c(F)c1
CNc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1
CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cn2c(C)nnc2c(C)n1
CNc1nc(cn2c(C)nnc12)-c1nc2cccnc2n1Cc1ccccc1
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(nc2n1Cc1ccccc1)N1CCN(C)CC1
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCN(C)CC1
CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccc1)C1=NNC(=O)CC1C |t:43|
CNc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccc1)C1=NNC(=O)CC1C |t:33|
CCNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@@H](C)c1ccccc1)N1CCOC[C@@H]1C |r|
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCN(C)CC1
CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N1CCN(C)CC1
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1
CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N1CCOCC1
Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 |r|
CNc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccn1)C1CCOCC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N1CCOCC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccc(F)cn1)N1CCOCC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOC[C@H]1C |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOC[C@@H]1C |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N(C)C
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N(C)C
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccn1
COc1ccc2nc(-c3cn4c(C)nnc4c(NC(C)C)n3)n(Cc3ccccn3)c2c1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(C)cc2n1Cc1ccccn1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(C)cc2n1Cc1ccccn1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnccc2n1Cc1ccccn1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1cccc(C)n1)N1CCOCC1
COc1cc2n(Cc3ccccn3)c(nc2cn1)-c1cn2c(C)nnc2c(NC(C)C)n1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)C(C)C
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@@H](C)c1ccccn1)N1CCOC[C@@H]1C |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@@H](C)c1ccccn1)C(C)C |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)C1CCOCC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)C1CCOCC1
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1[C@@H](C)c1ccccn1)C1CCOCC1 |r|
CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1[C@@H](C)c1ccccn1)C(C)C |r|
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@@H](C)c1cccnc1)N1CCN(C)CC1 |r|
CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1cccnc1)N1CCN(C)CC1
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCOCC1
CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1cccnc1)N1CCOCC1
Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCOCC1 |r|
Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(C)cc2n1Cc1cccnc1 |r|
CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccncc1)N1CCN(C)CC1
Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnn(C)c1 |r,t:10|
CN(C)C(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(ccc2-c2c(C)noc12)-c1cnn(C)c1 |r,t:7|
Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1 |r,t:10|
Cc1noc(n1)-c1ccc2-c3c(C)noc3[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c2c1 |r,t:23|
Cc1noc2[C@H](CC(O)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnn(C)c1 |r,t:10|
Cc1cc2c(ccc3nnc(C)n23)n1S(=O)(=O)c1ccccc1
Cc1nnc2ccc3n(ccc3n12)S(=O)(=O)c1ccccc1
C[C@@H](c1ccccc1)n1c(C)cc2c1ccc1nnc(C)n21 |r|
CN(C)CCC(=O)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1CN(C1)S(C)(=O)=O
CCN1CC(CC#N)(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
CC(C)N1CC(CC#N)(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CC(O)C5)c4)c(cc3n12)-c1nnco1
Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCC5)c4)c(cc3n12)-c1nnco1
Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1nnco1
CN\C=C/C(=N)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Cc1cc2c(cc(N[C@H]3CC[C@@H](CC3)C#N)c3nnc(C)n23)n1Cc1ccccc1 |r,wU:11.14,wD:8.7,(5.99,-5.45,;5.22,-6.78,;5.85,-8.19,;4.71,-9.22,;3.37,-8.45,;2.04,-9.22,;2.04,-10.76,;.71,-11.53,;-.63,-10.76,;-.63,-9.22,;-1.96,-8.45,;-3.3,-9.22,;-3.3,-10.76,;-1.96,-11.53,;-4.63,-8.45,;-5.96,-7.68,;3.37,-11.53,;3.69,-13.03,;5.22,-13.19,;5.85,-11.79,;7.34,-11.39,;4.71,-10.76,;3.69,-6.94,;2.6,-5.85,;3,-4.36,;4.49,-3.96,;4.89,-2.48,;3.8,-1.39,;2.31,-1.79,;1.91,-3.27,)|
CN1CCC(CC1)Nc1cc2n(Cc3ccccc3)c(C)nc2n2c(C)nnc12
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccccc1 |(-.15,-6.16,;-1.48,-5.39,;-2.95,-5.87,;-3.85,-4.62,;-2.95,-3.37,;-3.72,-2.04,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
Cc1noc(C)c1-c1ccc2n(C)c(=O)n3C(COc1c23)c1ccccc1 |(-.82,-6.16,;-2.15,-5.39,;-3.61,-5.87,;-4.52,-4.62,;-3.61,-3.37,;-4.38,-2.04,;-2.15,-3.85,;-.82,-3.08,;.52,-3.85,;1.85,-3.08,;1.85,-1.54,;3.19,-.77,;4.52,-1.54,;2.06,.77,;2.83,2.1,;.52,.77,;-.82,1.54,;-2.15,.77,;-2.15,-.77,;-.82,-1.54,;.52,-.77,;-.82,3.08,;.52,3.85,;.52,5.39,;-.82,6.16,;-2.15,5.39,;-2.15,3.85,)|
CC1Oc2c(ccc3[nH]c(=O)n(C1c1ccccc1)c23)-c1c(C)noc1C |(-2.82,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,;1.18,-.77,;-1.48,-3.85,;-2.95,-3.37,;-3.72,-2.04,;-3.85,-4.62,;-2.95,-5.87,;-1.48,-5.39,;-.15,-6.16,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccc(cc1)C#N |(-3.72,-3.58,;-2.95,-4.91,;-3.85,-6.16,;-2.95,-7.41,;-1.48,-6.93,;-.15,-7.7,;-1.48,-5.39,;-.15,-4.62,;1.18,-5.39,;2.52,-4.62,;2.52,-3.08,;3.85,-2.31,;2.72,-.77,;3.49,.56,;1.18,-.77,;-.15,,;-1.48,-.77,;-1.48,-2.31,;-.15,-3.08,;1.18,-2.31,;-.15,1.54,;1.18,2.31,;1.18,3.85,;-.15,4.62,;-1.48,3.85,;-1.48,2.31,;-.15,6.16,;-.15,7.7,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1cccnc1 |(-3.72,-2.04,;-2.95,-3.37,;-3.85,-4.62,;-2.95,-5.87,;-1.48,-5.39,;-.15,-6.16,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
COc1cccc(c1)C1COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C |(-2.82,6.93,;-2.82,5.39,;-1.48,4.62,;-.15,5.39,;1.18,4.62,;1.18,3.08,;-.15,2.31,;-1.48,3.08,;-.15,.77,;-1.48,,;-1.48,-1.54,;-.15,-2.31,;-.15,-3.85,;1.18,-4.62,;2.52,-3.85,;2.52,-2.31,;3.85,-1.54,;2.72,,;3.49,1.33,;1.18,,;1.18,-1.54,;-1.48,-4.62,;-1.48,-6.16,;-.15,-6.93,;-2.95,-6.64,;-3.85,-5.39,;-2.95,-4.14,;-3.72,-2.81,)|
COc1ccccc1C1COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C |(-4,3.85,;-2.67,3.08,;-1.33,3.85,;-1.33,5.39,;,6.16,;1.33,5.39,;1.33,3.85,;,3.08,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;2.87,.77,;3.64,2.1,;1.33,.77,;1.33,-.77,;-1.33,-3.85,;-1.33,-5.39,;,-6.16,;-2.8,-5.87,;-3.7,-4.62,;-2.8,-3.37,;-3.57,-2.04,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccc(F)cc1F |(-.15,-6.93,;-1.48,-6.16,;-2.95,-6.64,;-3.85,-5.39,;-2.95,-4.14,;-3.72,-2.81,;-1.48,-4.62,;-.15,-3.85,;1.18,-4.62,;2.52,-3.85,;2.52,-2.31,;3.85,-1.54,;2.72,,;3.49,1.33,;1.18,,;-.15,.77,;-1.48,,;-1.48,-1.54,;-.15,-2.31,;1.18,-1.54,;-.15,2.31,;1.18,3.08,;1.18,4.62,;-.15,5.39,;-.15,6.93,;-1.48,4.62,;-1.48,3.08,;-2.82,2.31,)|
Cc1noc(C)c1-c1ccc2nc(C)n3C(COc1c23)c1ccccc1 |(-.15,-6.16,;-1.48,-5.39,;-2.95,-5.87,;-3.85,-4.62,;-2.95,-3.37,;-3.72,-2.04,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
Cc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(=O)n3C(COc1c23)c1ccccc1 |(-5.06,-2.15,;-4.29,-3.48,;-4.77,-4.95,;-3.52,-5.85,;-2.27,-4.95,;-.94,-5.72,;-2.75,-3.48,;-1.98,-2.15,;-.44,-2.15,;.33,-.82,;-.44,.52,;.33,1.85,;1.82,2.25,;2.91,1.16,;4.39,1.56,;5.48,.47,;6.97,.87,;7.37,2.36,;6.28,3.45,;4.79,3.05,;-1.16,2.62,;-1.16,4.16,;-2.75,1.85,;-4.29,1.85,;-5.06,.52,;-4.29,-.82,;-2.75,-.82,;-1.98,.52,;-5.06,3.19,;-4.29,4.52,;-5.06,5.85,;-6.6,5.85,;-7.37,4.52,;-6.6,3.19,)|
Cc1n[nH]c(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccccc1 |(.13,-6.16,;-1.2,-5.39,;-2.67,-5.87,;-3.57,-4.62,;-2.67,-3.37,;-3.44,-2.04,;-1.2,-3.85,;.13,-3.08,;1.47,-3.85,;2.8,-3.08,;2.8,-1.54,;3.57,-.21,;2.8,1.13,;3.57,2.46,;1.47,.77,;.13,1.54,;-1.2,.77,;-1.2,-.77,;.13,-1.54,;1.47,-.77,;.13,3.08,;1.47,3.85,;1.47,5.39,;.13,6.16,;-1.2,5.39,;-1.2,3.85,)|
Cc1n[nH]cc1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccccc1
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccccn1 |(-3.72,-2.04,;-2.95,-3.37,;-3.85,-4.62,;-2.95,-5.87,;-1.48,-5.39,;-.15,-6.16,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |r,wD:15.23,(-3.72,-2.04,;-2.95,-3.37,;-3.85,-4.62,;-2.95,-5.87,;-1.48,-5.39,;-.15,-6.16,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3[C@@H](COc1c23)c1ccccn1 |r,wU:15.23,(-3.72,-2.04,;-2.95,-3.37,;-3.85,-4.62,;-2.95,-5.87,;-1.48,-5.39,;-.15,-6.16,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)C1CCCCC1 |(-3.72,-2.04,;-2.95,-3.37,;-3.85,-4.62,;-2.95,-5.87,;-1.48,-5.39,;-.15,-6.16,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)C1CCCO1 |(2.47,-4.57,;1.01,-5.05,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;5.09,.48,;6.5,-.15,;7.53,1,;6.76,2.33,;5.26,2.01,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3[C@@H](COc1c23)C1CCCO1 |r,wU:15.23,(-3.72,-1.69,;-2.95,-3.02,;-3.85,-4.26,;-2.95,-5.51,;-1.48,-5.03,;-.15,-5.8,;-1.48,-3.49,;-.15,-2.72,;1.18,-3.49,;2.52,-2.72,;2.52,-1.18,;3.85,-.41,;2.72,1.13,;3.49,2.46,;1.18,1.13,;-.15,1.9,;-1.48,1.13,;-1.48,-.41,;-.15,-1.18,;1.18,-.41,;-.15,3.44,;1.1,4.34,;.62,5.8,;-.92,5.8,;-1.39,4.34,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1nccs1 |(-.15,-5.8,;-1.48,-5.03,;-2.95,-5.51,;-3.85,-4.26,;-2.95,-3.02,;-3.72,-1.69,;-1.48,-3.49,;-.15,-2.72,;1.18,-3.49,;2.52,-2.72,;2.52,-1.18,;3.85,-.41,;2.72,1.13,;3.49,2.46,;1.18,1.13,;-.15,1.9,;-1.48,1.13,;-1.48,-.41,;-.15,-1.18,;1.18,-.41,;-.15,3.44,;1.1,4.34,;.62,5.8,;-.92,5.8,;-1.39,4.34,)|
CCNC(=O)COc1ccccc1C1COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C |(-6.67,3.85,;-5.33,3.08,;-4,3.85,;-2.67,3.08,;-2.67,1.54,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;4,5.39,;4,3.85,;2.67,3.08,;2.67,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;5.33,-3.08,;5.33,-1.54,;6.67,-.77,;5.54,.77,;6.31,2.1,;4,.77,;4,-.77,;1.33,-3.85,;-.13,-3.37,;-.9,-2.04,;-1.04,-4.62,;-.13,-5.87,;1.33,-5.39,;2.67,-6.16,)|
CCOC(=O)C1Oc2c(ccc3[nH]c(=O)n(C1c1ccccc1)c23)-c1c(C)noc1C |(-5.33,.77,;-4,1.54,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,.77,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;4,-3.08,;4,-1.54,;5.33,-.77,;4.21,.77,;4.98,2.1,;2.67,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.67,5.39,;1.33,6.16,;,5.39,;,3.85,;2.67,-.77,;,-3.85,;-1.46,-3.37,;-2.23,-2.04,;-2.37,-4.62,;-1.46,-5.87,;,-5.39,;1.33,-6.16,)|
CCNC(=O)C1Oc2c(ccc3[nH]c(=O)n([C@H]1c1ccccc1)c23)-c1c(C)noc1C |r,wD:16.17,(-5.33,.77,;-4,1.54,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,.77,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;4,-3.08,;4,-1.54,;5.33,-.77,;4.21,.77,;4.98,2.1,;2.67,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.67,5.39,;1.33,6.16,;,5.39,;,3.85,;2.67,-.77,;,-3.85,;-1.46,-3.37,;-2.23,-2.04,;-2.37,-4.62,;-1.46,-5.87,;,-5.39,;1.33,-6.16,)|
CCNC(=O)C1Oc2c(ccc3[nH]c(=O)n([C@@H]1c1ccccc1)c23)-c1c(C)noc1C |r,wU:16.17,(-5.33,.77,;-4,1.54,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,.77,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;4,-3.08,;4,-1.54,;5.33,-.77,;4.21,.77,;4.98,2.1,;2.67,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.67,5.39,;1.33,6.16,;,5.39,;,3.85,;2.67,-.77,;,-3.85,;-1.46,-3.37,;-2.23,-2.04,;-2.37,-4.62,;-1.46,-5.87,;,-5.39,;1.33,-6.16,)|
CC(C)Nc1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccc4)n1c23 |(4.83,3.44,;4.06,2.1,;4.83,.77,;2.52,2.1,;1.75,.77,;2.88,-.77,;1.54,-1.54,;1.54,-3.08,;.21,-3.85,;-1.13,-3.08,;-2.46,-3.85,;-2.46,-5.39,;-1.13,-6.16,;-3.92,-5.87,;-4.83,-4.62,;-3.92,-3.37,;-4.69,-2.04,;-1.13,-1.54,;-2.46,-.77,;-2.46,.77,;-1.13,1.54,;-1.13,3.08,;.21,3.85,;.21,5.39,;-1.13,6.16,;-2.46,5.39,;-2.46,3.85,;.21,.77,;.21,-.77,)|
CNc1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccc4)n1c23 |(4.44,2.1,;2.9,2.1,;2.13,.77,;3.26,-.77,;1.93,-1.54,;1.93,-3.08,;.59,-3.85,;-.74,-3.08,;-2.07,-3.85,;-2.07,-5.39,;-.74,-6.16,;-3.54,-5.87,;-4.44,-4.62,;-3.54,-3.37,;-4.31,-2.04,;-.74,-1.54,;-2.07,-.77,;-2.07,.77,;-.74,1.54,;-.74,3.08,;.59,3.85,;.59,5.39,;-.74,6.16,;-2.07,5.39,;-2.07,3.85,;.59,.77,;.59,-.77,)|
CCNc1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccc4)n1c23 |(4.83,3.44,;4.06,2.1,;2.52,2.1,;1.75,.77,;2.88,-.77,;1.54,-1.54,;1.54,-3.08,;.21,-3.85,;-1.13,-3.08,;-2.46,-3.85,;-2.46,-5.39,;-1.13,-6.16,;-3.92,-5.87,;-4.83,-4.62,;-3.92,-3.37,;-4.69,-2.04,;-1.13,-1.54,;-2.46,-.77,;-2.46,.77,;-1.13,1.54,;-1.13,3.08,;.21,3.85,;.21,5.39,;-1.13,6.16,;-2.46,5.39,;-2.46,3.85,;.21,.77,;.21,-.77,)|
CN(C)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccc4)n1c23 |(4.44,2.1,;2.9,2.1,;2.13,3.44,;2.13,.77,;3.26,-.77,;1.93,-1.54,;1.93,-3.08,;.59,-3.85,;-.74,-3.08,;-2.07,-3.85,;-2.07,-5.39,;-.74,-6.16,;-3.54,-5.87,;-4.44,-4.62,;-3.54,-3.37,;-4.31,-2.04,;-.74,-1.54,;-2.07,-.77,;-2.07,.77,;-.74,1.54,;-.74,3.08,;.59,3.85,;.59,5.39,;-.74,6.16,;-2.07,5.39,;-2.07,3.85,;.59,.77,;.59,-.77,)|
Cc1noc(C)c1-c1ccc2nc(NCCO)n3C(COc1c23)c1ccccc1 |(-1.9,-6.16,;-3.23,-5.39,;-4.69,-5.87,;-5.6,-4.62,;-4.69,-3.37,;-5.46,-2.04,;-3.23,-3.85,;-1.9,-3.08,;-.56,-3.85,;.77,-3.08,;.77,-1.54,;2.11,-.77,;.98,.77,;1.75,2.1,;3.29,2.1,;4.06,3.44,;5.6,3.44,;-.56,.77,;-1.9,1.54,;-3.23,.77,;-3.23,-.77,;-1.9,-1.54,;-.56,-.77,;-1.9,3.08,;-.56,3.85,;-.56,5.39,;-1.9,6.16,;-3.23,5.39,;-3.23,3.85,)|
CC(CO)Nc1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccc4)n1c23 |r,wD:21.22,(4.06,.77,;3.29,2.1,;4.06,3.44,;5.6,3.44,;1.75,2.1,;.98,.77,;2.11,-.77,;.77,-1.54,;.77,-3.08,;-.56,-3.85,;-1.9,-3.08,;-3.23,-3.85,;-3.23,-5.39,;-1.9,-6.16,;-4.69,-5.87,;-5.6,-4.62,;-4.69,-3.37,;-5.46,-2.04,;-1.9,-1.54,;-3.23,-.77,;-3.23,.77,;-1.9,1.54,;-1.9,3.08,;-.56,3.85,;-.56,5.39,;-1.9,6.16,;-3.23,5.39,;-3.23,3.85,;-.56,.77,;-.56,-.77,)|
CC(CO)Nc1nc2ccc(-c3c(C)noc3C)c3OC[C@@H](c4ccccc4)n1c23 |r,wU:21.22,(4.06,.77,;3.29,2.1,;4.06,3.44,;5.6,3.44,;1.75,2.1,;.98,.77,;2.11,-.77,;.77,-1.54,;.77,-3.08,;-.56,-3.85,;-1.9,-3.08,;-3.23,-3.85,;-3.23,-5.39,;-1.9,-6.16,;-4.69,-5.87,;-5.6,-4.62,;-4.69,-3.37,;-5.46,-2.04,;-1.9,-1.54,;-3.23,-.77,;-3.23,.77,;-1.9,1.54,;-1.9,3.08,;-.56,3.85,;-.56,5.39,;-1.9,6.16,;-3.23,5.39,;-3.23,3.85,;-.56,.77,;-.56,-.77,)|
CC(O)CNc1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccc4)n1c23 |(3.29,4.77,;4.06,3.44,;5.6,3.44,;3.29,2.1,;1.75,2.1,;.98,.77,;2.11,-.77,;.77,-1.54,;.77,-3.08,;-.56,-3.85,;-1.9,-3.08,;-3.23,-3.85,;-3.23,-5.39,;-1.9,-6.16,;-4.69,-5.87,;-5.6,-4.62,;-4.69,-3.37,;-5.46,-2.04,;-1.9,-1.54,;-3.23,-.77,;-3.23,.77,;-1.9,1.54,;-1.9,3.08,;-.56,3.85,;-.56,5.39,;-1.9,6.16,;-3.23,5.39,;-3.23,3.85,;-.56,.77,;-.56,-.77,)|
Cc1noc(C)c1-c1ccc2nc(NC(C)(C)CO)n3C(COc1c23)c1ccccc1 |(-1.9,-6.16,;-3.23,-5.39,;-4.69,-5.87,;-5.6,-4.62,;-4.69,-3.37,;-5.46,-2.04,;-3.23,-3.85,;-1.9,-3.08,;-.56,-3.85,;.77,-3.08,;.77,-1.54,;2.11,-.77,;.98,.77,;1.75,2.1,;3.29,2.1,;4.06,.77,;4.83,2.1,;4.06,3.44,;5.6,3.44,;-.56,.77,;-1.9,1.54,;-3.23,.77,;-3.23,-.77,;-1.9,-1.54,;-.56,-.77,;-1.9,3.08,;-.56,3.85,;-.56,5.39,;-1.9,6.16,;-3.23,5.39,;-3.23,3.85,)|
CN(CCO)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccc4)n1c23 |(.98,3.44,;1.75,2.1,;3.29,2.1,;4.06,3.44,;5.6,3.44,;.98,.77,;2.11,-.77,;.77,-1.54,;.77,-3.08,;-.56,-3.85,;-1.9,-3.08,;-3.23,-3.85,;-3.23,-5.39,;-1.9,-6.16,;-4.69,-5.87,;-5.6,-4.62,;-4.69,-3.37,;-5.46,-2.04,;-1.9,-1.54,;-3.23,-.77,;-3.23,.77,;-1.9,1.54,;-1.9,3.08,;-.56,3.85,;-.56,5.39,;-1.9,6.16,;-3.23,5.39,;-3.23,3.85,;-.56,.77,;-.56,-.77,)|
Cn1nccc1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccccc1
Cn1nccc1-c1cc(Br)c2[nH]c(=O)n3C(COc1c23)c1ccccc1
Cc1cc(-c2ccnn2C)c2OCC(c3ccccc3)n3c2c1[nH]c3=O
Cn1ncc(Cl)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccccc1 |(-.15,-6.16,;-1.48,-5.39,;-2.95,-5.87,;-3.85,-4.62,;-2.95,-3.37,;-3.72,-2.04,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
Cc1noc(C)c1-c1ccc2ncn3C(COc1c23)c1ccccc1 |(-.15,-6.16,;-1.48,-5.39,;-2.95,-5.87,;-3.85,-4.62,;-2.95,-3.37,;-3.72,-2.04,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
Cc1noc(C)c1-c1ccc2nc(N3CCNCC3)n3C(COc1c23)c1ccccc1 |(-1.13,-6.16,;-2.46,-5.39,;-3.92,-5.87,;-4.83,-4.62,;-3.92,-3.37,;-4.69,-2.04,;-2.46,-3.85,;-1.13,-3.08,;.21,-3.85,;1.54,-3.08,;1.54,-1.54,;2.88,-.77,;1.75,.77,;2.52,2.1,;4.06,2.1,;4.83,3.44,;4.06,4.77,;2.52,4.77,;1.75,3.44,;.21,.77,;-1.13,1.54,;-2.46,.77,;-2.46,-.77,;-1.13,-1.54,;.21,-.77,;-1.13,3.08,;.21,3.85,;.21,5.39,;-1.13,6.16,;-2.46,5.39,;-2.46,3.85,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccc(F)cc1 |(.6,-2.94,;2.07,-3.41,;2.54,-4.88,;4.08,-4.88,;4.56,-3.41,;6.02,-2.94,;3.31,-2.51,;3.31,-.97,;4.65,-.2,;4.65,1.34,;3.31,2.11,;2.75,3.55,;1.21,3.55,;.44,4.88,;.65,2.11,;-.69,1.34,;-.69,-.2,;.65,-.97,;1.98,-.2,;1.98,1.34,;-2.02,2.11,;-3.36,1.34,;-4.69,2.11,;-4.69,3.65,;-6.02,4.42,;-3.36,4.42,;-2.02,3.65,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccccc1OCC(=O)NCCO |(-.06,-4.63,;1.4,-5.11,;1.88,-6.57,;3.42,-6.57,;3.89,-5.11,;5.36,-4.63,;2.65,-4.21,;2.65,-2.67,;3.98,-1.9,;3.98,-.36,;2.65,.41,;2.08,1.85,;.54,1.85,;-.23,3.18,;-.02,.41,;-1.36,-.36,;-1.36,-1.9,;-.02,-2.67,;1.31,-1.9,;1.31,-.36,;-2.69,.41,;-4.02,-.36,;-5.36,.41,;-5.36,1.95,;-4.02,2.72,;-2.69,1.95,;-1.36,2.72,;-1.36,4.26,;-.02,5.03,;-.02,6.57,;1.31,4.26,;2.65,5.03,;3.98,4.26,;5.31,5.03,)|
CN(C)C(=O)COc1ccccc1C1COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C |(1.31,2.72,;1.31,4.26,;2.65,5.03,;-.02,5.03,;-.02,6.57,;-1.36,4.26,;-1.36,2.72,;-2.69,1.95,;-4.02,2.72,;-5.36,1.95,;-5.36,.41,;-4.02,-.36,;-2.69,.41,;-1.36,-.36,;-1.36,-1.9,;-.02,-2.67,;1.31,-1.9,;2.65,-2.67,;3.98,-1.9,;3.98,-.36,;2.65,.41,;2.08,1.85,;.54,1.85,;-.23,3.18,;-.02,.41,;1.31,-.36,;2.65,-4.21,;1.4,-5.11,;-.06,-4.63,;1.88,-6.57,;3.42,-6.57,;3.89,-5.11,;5.36,-4.63,)|
Cc1noc(C)c1-c1ccc2nc(N3CCOCC3)n3C(COc1c23)c1ccccc1 |(-.06,-4.27,;1.4,-4.75,;1.88,-6.21,;3.42,-6.21,;3.89,-4.75,;5.36,-4.27,;2.65,-3.84,;2.65,-2.3,;3.98,-1.53,;3.98,.01,;2.65,.78,;2.08,2.21,;.54,2.21,;-.23,3.55,;-1.77,3.55,;-2.54,4.88,;-1.77,6.21,;-.23,6.21,;.54,4.88,;-.02,.78,;-1.36,.01,;-1.36,-1.53,;-.02,-2.3,;1.31,-1.53,;1.31,.01,;-2.69,.78,;-4.02,.01,;-5.36,.78,;-5.36,2.32,;-4.02,3.09,;-2.69,2.32,)|
Cc1noc(C)c1-c1ccc2nc(N3CCCC3)n3C(COc1c23)c1ccccc1 |(-.06,-4.16,;1.4,-4.63,;1.88,-6.1,;3.42,-6.1,;3.89,-4.63,;5.36,-4.16,;2.65,-3.73,;2.65,-2.19,;3.98,-1.42,;3.98,.12,;2.65,.89,;2.08,2.33,;.54,2.33,;-.23,3.66,;-1.76,3.82,;-2.08,5.33,;-.75,6.1,;.4,5.07,;-.02,.89,;-1.36,.12,;-1.36,-1.42,;-.02,-2.19,;1.31,-1.42,;1.31,.12,;-2.69,.89,;-4.02,.12,;-5.36,.89,;-5.36,2.43,;-4.02,3.2,;-2.69,2.43,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC(O)C3)n3C(COc1c23)c1ccccc1 |(-.06,-4.16,;1.4,-4.63,;1.88,-6.1,;3.42,-6.1,;3.89,-4.63,;5.36,-4.16,;2.65,-3.73,;2.65,-2.19,;3.98,-1.42,;3.98,.12,;2.65,.89,;2.08,2.33,;.54,2.33,;-.23,3.66,;.4,5.07,;-.75,6.1,;-2.08,5.33,;-3.49,5.95,;-1.76,3.82,;-.02,.89,;-1.36,.12,;-1.36,-1.42,;-.02,-2.19,;1.31,-1.42,;1.31,.12,;-2.69,.89,;-4.02,.12,;-5.36,.89,;-5.36,2.43,;-4.02,3.2,;-2.69,2.43,)|
Cc1noc(C)c1-c1ccc2nc(N3CCCCC3)n3C(COc1c23)c1ccccc1 |(-.06,-4.27,;1.4,-4.75,;1.88,-6.21,;3.42,-6.21,;3.89,-4.75,;5.36,-4.27,;2.65,-3.84,;2.65,-2.3,;3.98,-1.53,;3.98,.01,;2.65,.78,;2.08,2.21,;.54,2.21,;-.23,3.55,;-1.77,3.55,;-2.54,4.88,;-1.77,6.21,;-.23,6.21,;.54,4.88,;-.02,.78,;-1.36,.01,;-1.36,-1.53,;-.02,-2.3,;1.31,-1.53,;1.31,.01,;-2.69,.78,;-4.02,.01,;-5.36,.78,;-5.36,2.32,;-4.02,3.09,;-2.69,2.32,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC(O)CC3)n3C(COc1c23)c1ccccc1 |(-.06,-4.94,;1.4,-5.41,;1.88,-6.88,;3.42,-6.88,;3.89,-5.41,;5.36,-4.94,;2.65,-4.51,;2.65,-2.97,;3.98,-2.2,;3.98,-.66,;2.65,.11,;2.08,1.54,;.54,1.54,;-.23,2.88,;-1.77,2.88,;-2.54,4.21,;-1.77,5.55,;-2.54,6.88,;-.23,5.55,;.54,4.21,;-.02,.11,;-1.36,-.66,;-1.36,-2.2,;-.02,-2.97,;1.31,-2.2,;1.31,-.66,;-2.69,.11,;-4.02,-.66,;-5.36,.11,;-5.36,1.65,;-4.02,2.42,;-2.69,1.65,)|
Cc1noc(C)c1-c1ccc2nc(N3CCCC(O)C3)n3C(COc1c23)c1ccccc1 |(-.06,-4.27,;1.4,-4.75,;1.88,-6.21,;3.42,-6.21,;3.89,-4.75,;5.36,-4.27,;2.65,-3.84,;2.65,-2.3,;3.98,-1.53,;3.98,.01,;2.65,.78,;2.08,2.21,;.54,2.21,;-.23,3.55,;.54,4.88,;-.23,6.21,;-1.77,6.21,;-2.54,4.88,;-4.08,4.88,;-1.77,3.55,;-.02,.78,;-1.36,.01,;-1.36,-1.53,;-.02,-2.3,;1.31,-1.53,;1.31,.01,;-2.69,.78,;-4.02,.01,;-5.36,.78,;-5.36,2.32,;-4.02,3.09,;-2.69,2.32,)|
Cc1noc(C)c1-c1ccc2nc(N3CC(O)C3)n3C(COc1c23)c1ccccc1 |(-.06,-4.55,;1.4,-5.02,;1.88,-6.49,;3.42,-6.49,;3.89,-5.02,;5.36,-4.55,;2.65,-4.12,;2.65,-2.58,;3.98,-1.81,;3.98,-.27,;2.65,.5,;2.08,1.94,;.54,1.94,;-.23,3.27,;-1.72,3.67,;-1.32,5.15,;-2.09,6.49,;.17,4.76,;-.02,.5,;-1.36,-.27,;-1.36,-1.81,;-.02,-2.58,;1.31,-1.81,;1.31,-.27,;-2.69,.5,;-4.02,-.27,;-5.36,.5,;-5.36,2.04,;-4.02,2.81,;-2.69,2.04,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C([O-])=O)n3C(COc1c23)c1ccccc1 |(-.06,-5.61,;1.4,-6.08,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;2.65,-5.18,;2.65,-3.64,;3.98,-2.87,;3.98,-1.33,;2.65,-.56,;2.08,.88,;.54,.88,;-.23,2.21,;.54,3.55,;-.23,4.88,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-2.54,6.21,;-4.08,6.21,;-1.77,7.55,;-.02,-.56,;-1.36,-1.33,;-1.36,-2.87,;-.02,-3.64,;1.31,-2.87,;1.31,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1cccc[n+]1[O-] |(-3.72,-2.04,;-2.95,-3.37,;-3.85,-4.62,;-2.95,-5.87,;-1.48,-5.39,;-.15,-6.16,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,;-2.82,3.08,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccc(F)cn1 |(-3.72,-2.81,;-2.95,-4.14,;-3.85,-5.39,;-2.95,-6.64,;-1.48,-6.16,;-.15,-6.93,;-1.48,-4.62,;-.15,-3.85,;1.18,-4.62,;2.52,-3.85,;2.52,-2.31,;3.85,-1.54,;2.72,,;3.49,1.33,;1.18,,;-.15,.77,;-1.48,,;-1.48,-1.54,;-.15,-2.31,;1.18,-1.54,;-.15,2.31,;1.18,3.08,;1.18,4.62,;-.15,5.39,;-.15,6.93,;-1.48,4.62,;-1.48,3.08,)|
CCOC(=O)C1Oc2c(ccc3[nH]c(=O)n(C1c1ccccn1)c23)-c1c(C)noc1C |(-5.33,.77,;-4,1.54,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,.77,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;4,-3.08,;4,-1.54,;5.33,-.77,;4.21,.77,;4.98,2.1,;2.67,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.67,5.39,;1.33,6.16,;,5.39,;,3.85,;2.67,-.77,;,-3.85,;-1.46,-3.37,;-2.23,-2.04,;-2.37,-4.62,;-1.46,-5.87,;,-5.39,;1.33,-6.16,)|
Cc1noc(C)c1-c1ccc2nc(-c3ccccc3)n3C(COc1c23)c1ccccc1 |(-1.13,-6.16,;-2.46,-5.39,;-3.92,-5.87,;-4.83,-4.62,;-3.92,-3.37,;-4.69,-2.04,;-2.46,-3.85,;-1.13,-3.08,;.21,-3.85,;1.54,-3.08,;1.54,-1.54,;2.88,-.77,;1.75,.77,;2.52,2.1,;4.06,2.1,;4.83,3.44,;4.06,4.77,;2.52,4.77,;1.75,3.44,;.21,.77,;-1.13,1.54,;-2.46,.77,;-2.46,-.77,;-1.13,-1.54,;.21,-.77,;-1.13,3.08,;.21,3.85,;.21,5.39,;-1.13,6.16,;-2.46,5.39,;-2.46,3.85,)|
Cc1noc(C)c1-c1cc(C#N)c2[nH]c(=O)n3C(COc1c23)c1ccccc1 |(-.82,-6.16,;-2.15,-5.39,;-3.61,-5.87,;-4.52,-4.62,;-3.61,-3.37,;-4.38,-2.04,;-2.15,-3.85,;-.82,-3.08,;.52,-3.85,;1.85,-3.08,;3.19,-3.85,;4.52,-4.62,;1.85,-1.54,;3.19,-.77,;2.06,.77,;2.83,2.1,;.52,.77,;-.82,1.54,;-2.15,.77,;-2.15,-.77,;-.82,-1.54,;.52,-.77,;-.82,3.08,;.52,3.85,;.52,5.39,;-.82,6.16,;-2.15,5.39,;-2.15,3.85,)|
Cc1noc(C)c1-c1cc(-c2ccccc2)c2[nH]c(=O)n3C(COc1c23)c1ccccc1 |(-1.48,-6.16,;-2.82,-5.39,;-4.28,-5.87,;-5.19,-4.62,;-4.28,-3.37,;-5.05,-2.04,;-2.82,-3.85,;-1.48,-3.08,;-.15,-3.85,;1.18,-3.08,;2.52,-3.85,;2.52,-5.39,;3.85,-6.16,;5.19,-5.39,;5.19,-3.85,;3.85,-3.08,;1.18,-1.54,;2.52,-.77,;1.39,.77,;2.16,2.1,;-.15,.77,;-1.48,1.54,;-2.82,.77,;-2.82,-.77,;-1.48,-1.54,;-.15,-.77,;-1.48,3.08,;-.15,3.85,;-.15,5.39,;-1.48,6.16,;-2.82,5.39,;-2.82,3.85,)|
Cc1cnn(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccccn1 |(-3.72,-2.04,;-2.95,-3.37,;-3.85,-4.62,;-2.95,-5.87,;-1.48,-5.39,;-.15,-6.16,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
Cc1noc(C)c1-c1cc(Br)c2[nH]c(=O)n3C(COc1c23)c1ccccc1 |(-.15,-6.16,;-1.48,-5.39,;-2.95,-5.87,;-3.85,-4.62,;-2.95,-3.37,;-3.72,-2.04,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;3.85,-3.85,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
Cc1noc(C)c1-c1cc(C)c2[nH]c(=O)n3C(COc1c23)c1ccccc1 |(-.15,-6.16,;-1.48,-5.39,;-2.95,-5.87,;-3.85,-4.62,;-2.95,-3.37,;-3.72,-2.04,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;3.85,-3.85,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
CN(C)C(=O)c1cc(-c2c(C)noc2C)c2OC[C@@H](c3ccccc3)n3c2c1[nH]c3=O |r,wU:18.19,(2.52,-6.16,;3.85,-5.39,;5.19,-6.16,;3.85,-3.85,;5.19,-3.08,;2.52,-3.08,;1.18,-3.85,;-.15,-3.08,;-1.48,-3.85,;-1.48,-5.39,;-.15,-6.16,;-2.95,-5.87,;-3.85,-4.62,;-2.95,-3.37,;-3.72,-2.04,;-.15,-1.54,;-1.48,-.77,;-1.48,.77,;-.15,1.54,;-.15,3.08,;-1.48,3.85,;-1.48,5.39,;-.15,6.16,;1.18,5.39,;1.18,3.85,;1.18,.77,;1.18,-.77,;2.52,-1.54,;3.66,-.51,;3.04,.9,;3.81,2.23,)|
CN(C)C(=O)c1cc(-c2c(C)noc2C)c2OC[C@H](c3ccccc3)n3c2c1[nH]c3=O |r,wD:18.19,(2.52,-6.16,;3.85,-5.39,;5.19,-6.16,;3.85,-3.85,;5.19,-3.08,;2.52,-3.08,;1.18,-3.85,;-.15,-3.08,;-1.48,-3.85,;-1.48,-5.39,;-.15,-6.16,;-2.95,-5.87,;-3.85,-4.62,;-2.95,-3.37,;-3.72,-2.04,;-.15,-1.54,;-1.48,-.77,;-1.48,.77,;-.15,1.54,;-.15,3.08,;-1.48,3.85,;-1.48,5.39,;-.15,6.16,;1.18,5.39,;1.18,3.85,;1.18,.77,;1.18,-.77,;2.52,-1.54,;3.66,-.51,;3.04,.9,;3.81,2.23,)|
Cc1noc(C)c1-c1cc(C(=O)NCCO)c2[nH]c(=O)n3[C@@H](COc1c23)c1ccccc1 |r,wU:21.29,(-.15,-6.16,;-1.48,-5.39,;-2.95,-5.87,;-3.85,-4.62,;-2.95,-3.37,;-3.72,-2.04,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;3.85,-3.85,;5.19,-3.08,;3.85,-5.39,;5.19,-6.16,;5.19,-7.7,;3.85,-8.47,;2.52,-1.54,;3.66,-.51,;3.04,.9,;3.81,2.23,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;-1.48,3.85,;-1.48,5.39,;-.15,6.16,;1.18,5.39,;1.18,3.85,)|
Cc1noc(C)c1-c1cc(C(=O)NCCO)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccc1 |r,wD:21.29,(-.15,-6.16,;-1.48,-5.39,;-2.95,-5.87,;-3.85,-4.62,;-2.95,-3.37,;-3.72,-2.04,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;3.85,-3.85,;5.19,-3.08,;3.85,-5.39,;5.19,-6.16,;5.19,-7.7,;3.85,-8.47,;2.52,-1.54,;3.66,-.51,;3.04,.9,;3.81,2.23,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;-1.48,3.85,;-1.48,5.39,;-.15,6.16,;1.18,5.39,;1.18,3.85,)|
Cc1noc(C)c1-c1cc(C(=O)c2cccnc2)c2[nH]c(=O)n3C(COc1c23)c1ccccc1 |(-.15,-6.16,;-1.48,-5.39,;-2.95,-5.87,;-3.85,-4.62,;-2.95,-3.37,;-3.72,-2.04,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;3.85,-3.85,;5.19,-3.08,;3.85,-5.39,;2.52,-6.16,;2.52,-7.7,;3.85,-8.47,;5.19,-7.7,;5.19,-6.16,;2.52,-1.54,;3.66,-.51,;3.04,.9,;3.81,2.23,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;-1.48,3.85,;-1.48,5.39,;-.15,6.16,;1.18,5.39,;1.18,3.85,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3[C@@H](c4ccccn4)C(C)(C)Oc1c23 |r,wU:15.16,(2.47,-4.57,;1.01,-5.05,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.43,.48,;3.76,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,;3.76,-1.83,;5.3,-1.88,;4.58,-3.14,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(C(CO)Oc1c23)c1ccccn1 |(-3.57,-2.04,;-2.8,-3.37,;-3.7,-4.62,;-2.8,-5.87,;-1.33,-5.39,;,-6.16,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;2.87,.77,;3.64,2.1,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;,3.08,;1.33,3.85,;1.33,5.39,;,6.16,;-1.33,5.39,;-1.33,3.85,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3[C@H](c4ccccn4)C(C)(C)Oc1c23 |r,wD:15.16,(2.47,-4.57,;1.01,-5.05,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.43,.48,;3.76,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,;3.76,-1.83,;5.3,-1.88,;4.58,-3.14,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3c2c1OCC3(C)c1ccccn1 |(-3.72,-1.56,;-2.95,-2.9,;-3.85,-4.14,;-2.95,-5.39,;-1.48,-4.91,;-.15,-5.68,;-1.48,-3.37,;-.15,-2.6,;1.18,-3.37,;2.52,-2.6,;2.52,-1.06,;3.85,-.29,;2.72,1.25,;3.49,2.58,;1.18,1.25,;1.18,-.29,;-.15,-1.06,;-1.48,-.29,;-1.48,1.25,;-.15,2.02,;.62,3.35,;-1.24,3.11,;-.84,4.59,;-1.93,5.68,;-3.42,5.28,;-3.81,3.8,;-2.73,2.71,)|
CCC1(COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C)c1ccccn1 |(.54,4.59,;.94,3.11,;-.15,2.02,;-1.48,1.25,;-1.48,-.29,;-.15,-1.06,;-.15,-2.6,;1.18,-3.37,;2.52,-2.6,;2.52,-1.06,;3.85,-.29,;2.72,1.25,;3.49,2.58,;1.18,1.25,;1.18,-.29,;-1.48,-3.37,;-2.95,-2.9,;-3.72,-1.56,;-3.85,-4.14,;-2.95,-5.39,;-1.48,-4.91,;-.15,-5.68,;-1.24,3.11,;-.84,4.59,;-1.93,5.68,;-3.42,5.28,;-3.81,3.8,;-2.73,2.71,)|
CNC(=O)C1(COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C)c1ccccn1 |(1.63,5.68,;.54,4.59,;.94,3.11,;2.43,2.71,;-.15,2.02,;-1.48,1.25,;-1.48,-.29,;-.15,-1.06,;-.15,-2.6,;1.18,-3.37,;2.52,-2.6,;2.52,-1.06,;3.85,-.29,;2.72,1.25,;3.49,2.58,;1.18,1.25,;1.18,-.29,;-1.48,-3.37,;-2.95,-2.9,;-3.72,-1.56,;-3.85,-4.14,;-2.95,-5.39,;-1.48,-4.91,;-.15,-5.68,;-1.24,3.11,;-.84,4.59,;-1.93,5.68,;-3.42,5.28,;-3.81,3.8,;-2.73,2.71,)|
CC(=O)NCC1(COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C)c1ccccn1 |(3.85,3.85,;2.52,4.62,;2.52,6.16,;1.18,3.85,;1.18,2.31,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;1.18,-.77,;-1.48,-3.85,;-2.95,-3.37,;-3.72,-2.04,;-3.85,-4.62,;-2.95,-5.87,;-1.48,-5.39,;-.15,-6.16,;-1.24,2.63,;-.84,4.12,;-1.93,5.21,;-3.42,4.81,;-3.81,3.32,;-2.73,2.23,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3c2c1OCC3(CN)c1ccccn1 |(-3.72,-1.56,;-2.95,-2.9,;-3.85,-4.14,;-2.95,-5.39,;-1.48,-4.91,;-.15,-5.68,;-1.48,-3.37,;-.15,-2.6,;1.18,-3.37,;2.52,-2.6,;2.52,-1.06,;3.85,-.29,;2.72,1.25,;3.49,2.58,;1.18,1.25,;1.18,-.29,;-.15,-1.06,;-1.48,-.29,;-1.48,1.25,;-.15,2.02,;.94,3.11,;.54,4.59,;-1.24,3.11,;-.84,4.59,;-1.93,5.68,;-3.42,5.28,;-3.81,3.8,;-2.73,2.71,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3c2c1OCC3(C(N)=O)c1ccccn1 |(-3.72,-1.56,;-2.95,-2.9,;-3.85,-4.14,;-2.95,-5.39,;-1.48,-4.91,;-.15,-5.68,;-1.48,-3.37,;-.15,-2.6,;1.18,-3.37,;2.52,-2.6,;2.52,-1.06,;3.85,-.29,;2.72,1.25,;3.49,2.58,;1.18,1.25,;1.18,-.29,;-.15,-1.06,;-1.48,-.29,;-1.48,1.25,;-.15,2.02,;.94,3.11,;.54,4.59,;2.43,2.71,;-1.24,3.11,;-.84,4.59,;-1.93,5.68,;-3.42,5.28,;-3.81,3.8,;-2.73,2.71,)|
CC1Oc2c(cc(-c3ccccn3)c3[nH]c(=O)n(C1c1ccccn1)c23)-c1c(C)noc1C |(5.09,-2.6,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-2.9,.48,;-2.9,2.02,;-4.24,2.79,;-5.57,2.02,;-5.57,.48,;-4.24,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.43,.48,;3.76,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,;1.09,-.29,;-.24,-4.14,;1.01,-5.05,;2.47,-4.57,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,)|
CNC(=O)C1Oc2c(cc(-c3ccccn3)c3[nH]c(=O)n(C1c1ccccn1)c23)-c1c(C)noc1C |(4.35,-5.24,;5.1,-4.14,;5.09,-2.6,;6.43,-1.83,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-2.9,.48,;-4.24,-.29,;-5.57,.48,;-5.57,2.02,;-4.24,2.79,;-2.9,2.02,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.43,.48,;3.76,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,;1.09,-.29,;-.24,-4.14,;1.01,-5.05,;2.47,-4.57,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1cncc(F)c1 |(.6,-2.94,;2.07,-3.41,;2.54,-4.88,;4.08,-4.88,;4.56,-3.41,;6.02,-2.94,;3.31,-2.51,;3.31,-.97,;4.65,-.2,;4.65,1.34,;3.31,2.11,;2.75,3.55,;1.21,3.55,;.44,4.88,;.65,2.11,;-.69,1.34,;-.69,-.2,;.65,-.97,;1.98,-.2,;1.98,1.34,;-2.02,2.11,;-2.02,3.65,;-3.36,4.42,;-4.69,3.65,;-4.69,2.11,;-6.02,1.34,;-3.36,1.34,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)C1CCCCN1S(C)(=O)=O |(.12,-6.16,;-1.21,-5.39,;-2.68,-5.87,;-3.58,-4.62,;-2.68,-3.37,;-3.45,-2.04,;-1.21,-3.85,;.12,-3.08,;1.46,-3.85,;2.79,-3.08,;2.79,-1.54,;3.88,-.45,;2.94,1.17,;3.71,2.5,;1.46,.77,;.12,1.54,;-1.21,.77,;-1.21,-.77,;.12,-1.54,;1.46,-.77,;.12,3.08,;1.46,3.85,;1.46,5.39,;.12,6.16,;-1.21,5.39,;-1.21,3.85,;-2.55,3.08,;-3.88,3.85,;-3.32,1.75,;-1.78,1.75,)|
CC(C)NC(=O)N1CCCCC1C1COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C |(-4.02,-3.28,;-2.69,-2.51,;-1.36,-3.28,;-2.69,-.97,;-4.02,-.2,;-5.36,-.97,;-4.02,1.34,;-5.36,2.11,;-5.36,3.65,;-4.02,4.42,;-2.69,3.65,;-2.69,2.11,;-1.36,1.34,;-1.36,-.2,;-.02,-.97,;1.31,-.2,;2.65,-.97,;3.98,-.2,;3.98,1.34,;2.65,2.11,;2.08,3.55,;.54,3.55,;-.23,4.88,;-.02,2.11,;1.31,1.34,;2.65,-2.51,;1.4,-3.41,;-.06,-2.94,;1.88,-4.88,;3.42,-4.88,;3.89,-3.41,;5.36,-2.94,)|
Cc1noc(C)c1-c1cc(-c2cnn(C)c2)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |wD:21.30,(-4.8,-2.94,;-3.33,-3.41,;-2.86,-4.88,;-1.32,-4.88,;-.84,-3.41,;.62,-2.94,;-2.09,-2.51,;-2.09,-.97,;-.75,-.2,;-.75,1.34,;.58,2.11,;.74,3.64,;2.25,3.96,;3.02,2.63,;4.55,2.47,;1.99,1.48,;-2.09,2.11,;-2.65,3.55,;-4.19,3.55,;-4.96,4.88,;-4.75,2.11,;-6.09,1.34,;-6.09,-.2,;-4.75,-.97,;-3.42,-.2,;-3.42,1.34,;-7.42,2.11,;-8.76,1.34,;-10.09,2.11,;-10.09,3.65,;-8.76,4.42,;-7.42,3.65,)|
CN(C)C(=O)c1ccc(cn1)-c1cc(-c2c(C)noc2C)c2OC[C@H](c3ccccn3)n3c2c1[nH]c3=O |wU:24.26,(-8.24,5.1,;-6.91,4.33,;-5.57,5.1,;-6.91,2.79,;-8.24,2.02,;-5.57,2.02,;-5.57,.48,;-4.24,-.29,;-2.9,.48,;-2.91,2.02,;-4.24,2.79,;-1.57,-.29,;-1.57,-1.83,;-.24,-2.6,;-.24,-4.14,;-1.49,-5.05,;-2.95,-4.57,;-1.01,-6.51,;.53,-6.51,;1.01,-5.05,;2.47,-4.57,;1.09,-1.83,;2.43,-2.6,;3.76,-1.83,;3.76,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,;2.43,.48,;1.09,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,)|
Cc1noc(C)c1-c1cc(C2=CCN(CC2)C(=O)OC(C)(C)C)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |wD:28.37,t:11,(-6.81,-3.48,;-5.35,-3.96,;-4.87,-5.42,;-3.33,-5.42,;-2.86,-3.96,;-1.39,-3.48,;-4.1,-3.05,;-4.1,-1.51,;-2.77,-.74,;-2.77,.8,;-1.44,1.57,;-1.44,3.11,;-.1,3.88,;1.23,3.11,;1.23,1.57,;-.1,.8,;2.56,3.88,;2.56,5.42,;3.9,3.11,;5.23,3.88,;5.23,5.42,;6.57,4.65,;6.57,3.11,;-4.1,1.57,;-4.67,3,;-6.21,3,;-6.98,4.34,;-6.77,1.57,;-8.11,.8,;-8.11,-.74,;-6.77,-1.51,;-5.44,-.74,;-5.44,.8,;-9.44,1.57,;-10.77,.8,;-12.11,1.57,;-12.11,3.11,;-10.77,3.88,;-9.44,3.11,)|
Cc1noc(C)c1-c1cc(-c2cncnc2)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |wD:21.30,(-4.15,-2.94,;-2.68,-3.41,;-2.21,-4.88,;-.67,-4.88,;-.19,-3.41,;1.27,-2.94,;-1.44,-2.51,;-1.44,-.97,;-.1,-.2,;-.1,1.34,;1.23,2.11,;2.56,1.34,;3.9,2.11,;3.9,3.65,;2.56,4.42,;1.23,3.65,;-1.44,2.11,;-2,3.55,;-3.54,3.55,;-4.31,4.88,;-4.1,2.11,;-5.44,1.34,;-5.44,-.2,;-4.1,-.97,;-2.77,-.2,;-2.77,1.34,;-6.77,2.11,;-8.11,1.34,;-9.44,2.11,;-9.44,3.65,;-8.11,4.42,;-6.77,3.65,)|
Cc1noc(C)c1-c1cc(-c2ccnn2C)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |wD:21.30,(-4.03,-2.94,;-2.57,-3.41,;-2.09,-4.88,;-.55,-4.88,;-.08,-3.41,;1.39,-2.94,;-1.32,-2.51,;-1.32,-.97,;.01,-.2,;.01,1.34,;1.35,2.11,;2.75,1.48,;3.78,2.63,;3.01,3.96,;1.51,3.64,;.36,4.67,;-1.32,2.11,;-1.89,3.55,;-3.43,3.55,;-4.2,4.88,;-3.99,2.11,;-5.32,1.34,;-5.32,-.2,;-3.99,-.97,;-2.66,-.2,;-2.66,1.34,;-6.66,2.11,;-7.99,1.34,;-9.32,2.11,;-9.32,3.65,;-7.99,4.42,;-6.66,3.65,)|
Cc1noc(C)c1-c1cc(C2=CCNCC2)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |wD:21.30,t:11,(-1.38,-.24,;.09,-.72,;.56,-2.18,;2.1,-2.18,;2.58,-.72,;4.04,-.24,;1.33,.19,;1.33,1.73,;2.67,2.5,;2.67,4.04,;4,4.81,;4,6.35,;5.33,7.12,;6.67,6.35,;6.67,4.81,;5.33,4.04,;1.33,4.81,;.77,6.24,;-.77,6.24,;-1.54,7.57,;-1.33,4.81,;-2.67,4.04,;-2.67,2.5,;-1.33,1.73,;,2.5,;,4.04,;-4,4.81,;-5.33,4.04,;-6.67,4.81,;-6.67,6.35,;-5.33,7.12,;-4,6.35,)|
Cc1noc(C)c1-c1ccc2nc(C=C)n3[C@H](COc1c23)c1ccccn1 |r,wD:16.24,(-.71,-6.16,;-2.05,-5.39,;-3.51,-5.87,;-4.42,-4.62,;-3.51,-3.37,;-4.28,-2.04,;-2.05,-3.85,;-.71,-3.08,;.62,-3.85,;1.95,-3.08,;1.95,-1.54,;3.04,-.45,;2.11,1.17,;2.88,2.5,;4.42,2.5,;.62,.77,;-.71,1.54,;-2.05,.77,;-2.05,-.77,;-.71,-1.54,;.62,-.77,;-.71,3.08,;-2.05,3.85,;-2.05,5.39,;-.71,6.16,;.62,5.39,;.62,3.85,)|
Cc1noc(C)c1-c1ccc2nc(C(O)CO)n3[C@H](COc1c23)c1ccccn1 |r,wD:18.26,(-1.1,-6.16,;-2.43,-5.39,;-3.9,-5.87,;-4.8,-4.62,;-3.9,-3.37,;-4.67,-2.04,;-2.43,-3.85,;-1.1,-3.08,;.23,-3.85,;1.57,-3.08,;1.57,-1.54,;2.66,-.45,;1.72,1.17,;2.49,2.5,;1.72,3.84,;4.03,2.5,;4.8,3.84,;.23,.77,;-1.1,1.54,;-2.43,.77,;-2.43,-.77,;-1.1,-1.54,;.23,-.77,;-1.1,3.08,;-2.43,3.85,;-2.43,5.39,;-1.1,6.16,;.23,5.39,;.23,3.85,)|
CC(O)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:19.20,(4.55,1.86,;3.06,2.26,;2.66,3.75,;1.97,1.17,;2.91,-.45,;1.82,-1.54,;1.82,-3.08,;.49,-3.85,;-.85,-3.08,;-2.18,-3.85,;-2.18,-5.39,;-.85,-6.16,;-3.65,-5.87,;-4.55,-4.62,;-3.65,-3.37,;-4.42,-2.04,;-.85,-1.54,;-2.18,-.77,;-2.18,.77,;-.85,1.54,;-.85,3.08,;-2.18,3.85,;-2.18,5.39,;-.85,6.16,;.49,5.39,;.49,3.85,;.49,.77,;.49,-.77,)|
CN(C)C(=O)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:21.22,(4.8,1.17,;4.03,2.5,;4.8,3.84,;2.49,2.5,;1.72,3.84,;1.72,1.17,;2.66,-.45,;1.57,-1.54,;1.57,-3.08,;.23,-3.85,;-1.1,-3.08,;-2.43,-3.85,;-3.9,-3.37,;-4.67,-2.04,;-4.8,-4.62,;-3.9,-5.87,;-2.43,-5.39,;-1.1,-6.16,;-1.1,-1.54,;-2.43,-.77,;-2.43,.77,;-1.1,1.54,;-1.1,3.08,;-2.43,3.85,;-2.43,5.39,;-1.1,6.16,;.23,5.39,;.23,3.85,;.23,.77,;.23,-.77,)|
Cc1noc(C)c1-c1ccc2ncn3[C@H](COc1c23)c1ccccn1 |r,wD:14.22,(-3.59,-2.04,;-2.82,-3.37,;-3.73,-4.62,;-2.82,-5.87,;-1.36,-5.39,;-.03,-6.16,;-1.36,-3.85,;-.03,-3.08,;1.31,-3.85,;2.64,-3.08,;2.64,-1.54,;3.73,-.45,;2.79,1.17,;1.31,.77,;-.03,1.54,;-1.36,.77,;-1.36,-.77,;-.03,-1.54,;1.31,-.77,;-.03,3.08,;-1.36,3.85,;-1.36,5.39,;-.03,6.16,;1.31,5.39,;1.31,3.85,)|
Cc1noc(C)c1-c1ccc2nc(C(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |r,wD:21.29,(-5.44,-2.04,;-4.67,-3.37,;-5.57,-4.62,;-4.67,-5.87,;-3.2,-5.39,;-1.87,-6.16,;-3.2,-3.85,;-1.87,-3.08,;-.54,-3.85,;.8,-3.08,;.8,-1.54,;1.89,-.45,;.95,1.17,;1.72,2.5,;.95,3.84,;3.26,2.5,;4.03,3.84,;5.57,3.84,;3.26,5.17,;4.8,5.17,;-.54,.77,;-1.87,1.54,;-3.2,.77,;-3.2,-.77,;-1.87,-1.54,;-.54,-.77,;-1.87,3.08,;-3.2,3.85,;-3.2,5.39,;-1.87,6.16,;-.54,5.39,;-.54,3.85,)|
Cc1noc(C)c1-c1ccc2nc(C(=O)N3CCOCC3)n3[C@H](COc1c23)c1ccccn1 |r,wD:22.31,(-5.82,-2.04,;-5.05,-3.37,;-5.96,-4.62,;-5.05,-5.87,;-3.59,-5.39,;-2.25,-6.16,;-3.59,-3.85,;-2.25,-3.08,;-.92,-3.85,;.41,-3.08,;.41,-1.54,;1.5,-.45,;.57,1.17,;1.34,2.5,;.57,3.84,;2.88,2.5,;3.65,1.17,;5.19,1.17,;5.96,2.5,;5.19,3.84,;3.65,3.84,;-.92,.77,;-2.25,1.54,;-3.59,.77,;-3.59,-.77,;-2.25,-1.54,;-.92,-.77,;-2.25,3.08,;-3.59,3.85,;-3.59,5.39,;-2.25,6.16,;-.92,5.39,;-.92,3.85,)|
CNC(=O)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:20.21,(5.02,3.69,;4.25,2.36,;2.71,2.36,;1.94,3.69,;1.94,1.02,;2.56,-.38,;1.42,-1.41,;1.42,-2.95,;.09,-3.72,;-1.25,-2.95,;-2.58,-3.72,;-3.99,-3.1,;-4.31,-1.59,;-5.02,-4.24,;-4.25,-5.58,;-2.74,-5.26,;-1.6,-6.29,;-1.25,-1.41,;-2.58,-.64,;-2.58,.9,;-1.25,1.67,;-1.25,3.21,;-2.58,3.98,;-2.58,5.52,;-1.25,6.29,;.09,5.52,;.09,3.98,;.09,.9,;.09,-.64,)|
Cc1noc(C)c1-c1ccc2nc(C(N)=O)n3[C@H](COc1c23)c1ccccn1 |r,wD:17.25,(-4.28,-2.04,;-3.51,-3.37,;-4.42,-4.62,;-3.51,-5.87,;-2.05,-5.39,;-.71,-6.16,;-2.05,-3.85,;-.71,-3.08,;.62,-3.85,;1.95,-3.08,;1.95,-1.54,;3.04,-.45,;2.11,1.17,;2.88,2.5,;4.42,2.5,;2.11,3.84,;.62,.77,;-.71,1.54,;-2.05,.77,;-2.05,-.77,;-.71,-1.54,;.62,-.77,;-.71,3.08,;-2.05,3.85,;-2.05,5.39,;-.71,6.16,;.62,5.39,;.62,3.85,)|
Cc1noc(C)c1-c1ccc2nc(C3=CCN(CC3)C(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |r,wD:27.36,t:14,(-3.77,-6.93,;-5.1,-6.16,;-6.57,-6.64,;-7.47,-5.39,;-6.57,-4.15,;-7.34,-2.81,;-5.1,-4.62,;-3.77,-3.85,;-2.44,-4.62,;-1.1,-3.85,;-1.1,-2.31,;-.01,-1.22,;-.95,.4,;.14,1.49,;-.26,2.97,;.83,4.06,;2.32,3.66,;2.72,2.18,;1.63,1.09,;3.41,4.75,;3.01,6.24,;4.9,4.35,;5.98,5.44,;7.47,5.05,;5.59,6.93,;7.07,6.53,;-2.44,-0,;-3.77,.77,;-5.1,-0,;-5.1,-1.54,;-3.77,-2.31,;-2.44,-1.54,;-3.77,2.31,;-5.1,3.08,;-5.1,4.62,;-3.77,5.39,;-2.44,4.62,;-2.44,3.08,)|
Cc1noc(C)c1-c1ccc2nc(C3=CCN(C3)C(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |r,wD:26.35,t:14,(-3.75,-6.16,;-5.09,-5.39,;-6.55,-5.87,;-7.46,-4.62,;-6.55,-3.37,;-7.32,-2.04,;-5.09,-3.85,;-3.75,-3.08,;-2.42,-3.85,;-1.09,-3.08,;-1.09,-1.54,;.25,-.77,;-.88,.77,;-.11,2.1,;-.59,3.57,;.66,4.47,;1.91,3.57,;1.43,2.1,;3.39,3.97,;3.79,5.45,;4.48,2.88,;5.97,3.28,;7.06,2.19,;6.37,4.76,;7.46,3.68,;-2.42,.77,;-3.75,1.54,;-5.09,.77,;-5.09,-.77,;-3.75,-1.54,;-2.42,-.77,;-3.75,3.08,;-5.09,3.85,;-5.09,5.39,;-3.75,6.16,;-2.42,5.39,;-2.42,3.85,)|
Cc1noc(C)c1-c1ccc2nc(C3=CCCN(C3)C(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |r,wD:27.36,t:14,(-3.85,-6.16,;-5.18,-5.39,;-6.65,-5.87,;-7.55,-4.62,;-6.65,-3.37,;-7.42,-2.04,;-5.18,-3.85,;-3.85,-3.08,;-2.51,-3.85,;-1.18,-3.08,;-1.18,-1.54,;.15,-.77,;-.97,.77,;.11,1.86,;-.28,3.35,;.8,4.44,;2.29,4.04,;2.69,2.55,;1.6,1.46,;4.18,2.15,;5.27,3.24,;4.58,.66,;6.06,.26,;6.46,-1.22,;7.15,1.35,;7.55,-.13,;-2.51,.77,;-3.85,1.54,;-5.18,.77,;-5.18,-.77,;-3.85,-1.54,;-2.51,-.77,;-3.85,3.08,;-5.18,3.85,;-5.18,5.39,;-3.85,6.16,;-2.51,5.39,;-2.51,3.85,)|
Cc1noc(C)c1-c1ccc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |r,wD:27.36,(-3.79,-6.73,;-5.13,-5.96,;-6.59,-6.44,;-7.5,-5.19,;-6.59,-3.95,;-7.36,-2.61,;-5.13,-4.42,;-3.79,-3.65,;-2.46,-4.42,;-1.13,-3.65,;-1.13,-2.11,;.21,-1.34,;-.92,.2,;.17,1.29,;1.66,.89,;2.74,1.98,;2.35,3.47,;.86,3.86,;-.23,2.77,;3.43,4.55,;3.04,6.04,;4.92,4.16,;6.01,5.24,;7.5,4.85,;5.61,6.73,;7.1,6.33,;-2.46,.2,;-3.79,.97,;-5.13,.2,;-5.13,-1.34,;-3.79,-2.11,;-2.46,-1.34,;-3.79,2.51,;-5.13,3.28,;-5.13,4.82,;-3.79,5.59,;-2.46,4.82,;-2.46,3.28,)|
Cc1noc(C)c1-c1ccc2nc(C3CCN(C3)C(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |r,wD:26.35,(-3.75,-6.16,;-5.09,-5.39,;-6.55,-5.87,;-7.46,-4.62,;-6.55,-3.37,;-7.32,-2.04,;-5.09,-3.85,;-3.75,-3.08,;-2.42,-3.85,;-1.09,-3.08,;-1.09,-1.54,;.25,-.77,;-.88,.77,;-.11,2.1,;-.59,3.57,;.66,4.47,;1.91,3.57,;1.43,2.1,;3.39,3.97,;3.79,5.45,;4.48,2.88,;5.97,3.28,;7.06,2.19,;6.37,4.76,;7.46,3.68,;-2.42,.77,;-3.75,1.54,;-5.09,.77,;-5.09,-.77,;-3.75,-1.54,;-2.42,-.77,;-3.75,3.08,;-5.09,3.85,;-5.09,5.39,;-3.75,6.16,;-2.42,5.39,;-2.42,3.85,)|
Cc1noc(C)c1-c1ccc2nc(C3CCN(C3)C(=O)OC(C)(C)C)n3[C@@H](COc1c23)c1ccccn1 |r,wU:26.35,(-3.75,-6.16,;-5.09,-5.39,;-6.55,-5.87,;-7.46,-4.62,;-6.55,-3.37,;-7.32,-2.04,;-5.09,-3.85,;-3.75,-3.08,;-2.42,-3.85,;-1.09,-3.08,;-1.09,-1.54,;.25,-.77,;-.88,.77,;-.11,2.1,;-.59,3.57,;.66,4.47,;1.91,3.57,;1.43,2.1,;3.39,3.97,;3.79,5.45,;4.48,2.88,;5.97,3.28,;7.06,2.19,;6.37,4.76,;7.46,3.68,;-2.42,.77,;-3.75,1.54,;-5.09,.77,;-5.09,-.77,;-3.75,-1.54,;-2.42,-.77,;-3.75,3.08,;-5.09,3.85,;-5.09,5.39,;-3.75,6.16,;-2.42,5.39,;-2.42,3.85,)|
Cc1noc(C)c1-c1ccc2nc(C3CCNCC3)n3[C@H](COc1c23)c1ccccn1 |r,wD:20.29,(-1.42,-6.16,;-2.75,-5.39,;-4.22,-5.87,;-5.12,-4.62,;-4.22,-3.37,;-4.99,-2.04,;-2.75,-3.85,;-1.42,-3.08,;-.08,-3.85,;1.25,-3.08,;1.25,-1.54,;2.58,-.77,;1.46,.77,;2.54,1.86,;4.03,1.46,;5.12,2.55,;4.72,4.04,;3.24,4.44,;2.15,3.35,;-.08,.77,;-1.42,1.54,;-2.75,.77,;-2.75,-.77,;-1.42,-1.54,;-.08,-.77,;-1.42,3.08,;-2.75,3.85,;-2.75,5.39,;-1.42,6.16,;-.08,5.39,;-.08,3.85,)|
Cc1noc(C)c1-c1ccc2nc(C3=CCNCC3)n3[C@H](COc1c23)c1ccccn1 |wD:20.29,t:14,(-.06,-4.27,;1.4,-4.75,;1.88,-6.21,;3.42,-6.21,;3.89,-4.75,;5.36,-4.27,;2.65,-3.84,;2.65,-2.3,;3.98,-1.53,;3.98,.01,;2.65,.78,;2.08,2.21,;.54,2.21,;-.23,3.55,;-1.77,3.55,;-2.54,4.88,;-1.77,6.21,;-.23,6.21,;.54,4.88,;-.02,.78,;-1.36,.01,;-1.36,-1.53,;-.02,-2.3,;1.31,-1.53,;1.31,.01,;-2.69,.78,;-4.02,.01,;-5.36,.78,;-5.36,2.32,;-4.02,3.09,;-2.69,2.32,)|
Cc1noc(C)c1-c1ccc2nc(C3=CCNC3)n3[C@H](COc1c23)c1ccccn1 |wD:19.28,t:14,(-.06,-4.16,;1.4,-4.63,;1.88,-6.1,;3.42,-6.1,;3.89,-4.63,;5.36,-4.16,;2.65,-3.73,;2.65,-2.19,;3.98,-1.42,;3.98,.12,;2.65,.89,;2.08,2.33,;.54,2.33,;-.23,3.66,;-1.76,3.82,;-2.08,5.33,;-.75,6.1,;.4,5.07,;-.02,.89,;-1.36,.12,;-1.36,-1.42,;-.02,-2.19,;1.31,-1.42,;1.31,.12,;-2.69,.89,;-4.02,.12,;-5.36,.89,;-5.36,2.43,;-4.02,3.2,;-2.69,2.43,)|
Cc1noc(C)c1-c1ccc2nc(C3CCNC3)n3[C@H](COc1c23)c1ccccn1 |wU:19.28,(2.47,-4.57,;1.01,-5.05,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;4.29,3.36,;4.74,4.83,;3.48,5.72,;2.25,4.8,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,)|
Cc1noc(C)c1-c1ccc2nc(C3CCNC3)n3[C@@H](COc1c23)c1ccccn1 |wD:19.28,(2.47,-4.57,;1.01,-5.05,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;4.29,3.36,;4.74,4.83,;3.48,5.72,;2.25,4.8,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,)|
Cc1noc(C)c1-c1ccc2nc(C3=CCCNC3)n3[C@H](COc1c23)c1ccccn1 |wD:20.29,t:14,(-.06,-4.27,;1.4,-4.75,;1.88,-6.21,;3.42,-6.21,;3.89,-4.75,;5.36,-4.27,;2.65,-3.84,;2.65,-2.3,;3.98,-1.53,;3.98,.01,;2.65,.78,;2.08,2.21,;.54,2.21,;-.23,3.55,;-1.77,3.55,;-2.54,4.88,;-1.77,6.21,;-.23,6.21,;.54,4.88,;-.02,.78,;-1.36,.01,;-1.36,-1.53,;-.02,-2.3,;1.31,-1.53,;1.31,.01,;-2.69,.78,;-4.02,.01,;-5.36,.78,;-5.36,2.32,;-4.02,3.09,;-2.69,2.32,)|
CC(=O)N1CCC(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:25.27,(6.21,4.5,;4.72,4.9,;4.32,6.39,;3.63,3.81,;4.03,2.32,;2.94,1.23,;1.46,1.63,;1.06,3.12,;2.15,4.21,;.37,.54,;1.49,-1,;.16,-1.77,;.16,-3.31,;-1.17,-4.08,;-2.51,-3.31,;-3.84,-4.08,;-3.84,-5.62,;-2.51,-6.39,;-5.31,-6.09,;-6.21,-4.85,;-5.31,-3.6,;-6.08,-2.27,;-2.51,-1.77,;-3.84,-1,;-3.84,.54,;-2.51,1.31,;-2.51,2.85,;-3.84,3.62,;-3.84,5.16,;-2.51,5.93,;-1.17,5.16,;-1.17,3.62,;-1.17,.54,;-1.17,-1,)|
CC(=O)N1CCC(=CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:25.27,c:6,(-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-.23,2.21,;-1.77,2.21,;-2.54,3.55,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
Cc1noc(C)c1-c1ccc2nc(C3CCN(CC3)C(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1 |wD:25.35,(-.04,-5.61,;1.43,-6.08,;1.9,-7.55,;3.44,-7.55,;3.92,-6.08,;5.39,-5.61,;2.67,-5.18,;2.67,-3.64,;4.01,-2.87,;4.01,-1.33,;2.67,-.56,;2.11,.88,;.57,.88,;-.2,2.21,;.57,3.55,;-.2,4.88,;-1.74,4.88,;-2.51,3.55,;-1.74,2.21,;-2.51,6.21,;-1.74,7.55,;-4.05,6.21,;-5.39,5.44,;-5.39,6.98,;.01,-.56,;-1.33,-1.33,;-1.33,-2.87,;.01,-3.64,;1.34,-2.87,;1.34,-1.33,;-2.66,-.56,;-3.99,-1.33,;-5.33,-.56,;-5.33,.98,;-3.99,1.75,;-2.66,.98,)|
Cc1noc(C)c1-c1ccc2nc(C3CCN(CC3)S(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1 |wD:24.33,(-.06,-5.61,;1.4,-6.08,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;2.65,-5.18,;2.65,-3.64,;3.98,-2.87,;3.98,-1.33,;2.65,-.56,;2.08,.88,;.54,.88,;-.23,2.21,;.54,3.55,;-.23,4.88,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-2.54,6.21,;-3.31,7.55,;-1.21,6.98,;-3.87,5.44,;-.02,-.56,;-1.36,-1.33,;-1.36,-2.87,;-.02,-3.64,;1.31,-2.87,;1.31,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,)|
CC(=O)N1CCC(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wU:24.26,(2.12,8.01,;3.46,7.26,;4.79,8.05,;3.48,5.72,;4.74,4.83,;4.29,3.36,;2.75,3.34,;2.25,4.8,;1.86,2.08,;.32,2.08,;-.24,.48,;-1.57,-.29,;-1.57,-1.83,;-.24,-2.6,;-.24,-4.14,;1.01,-5.05,;2.47,-4.57,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;1.09,-1.83,;2.43,-2.6,;3.76,-1.83,;3.76,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,;2.43,.48,;1.09,-.29,)|
CC(=O)N1CCC(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@@H](c4ccccn4)n1c23 |wD:24.26,(2.12,8.01,;3.46,7.26,;4.79,8.05,;3.48,5.72,;4.74,4.83,;4.29,3.36,;2.75,3.34,;2.25,4.8,;1.86,2.08,;.32,2.08,;-.24,.48,;-1.57,-.29,;-1.57,-1.83,;-.24,-2.6,;-.24,-4.14,;1.01,-5.05,;2.47,-4.57,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;1.09,-1.83,;2.43,-2.6,;3.76,-1.83,;3.76,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,;2.43,.48,;1.09,-.29,)|
Cc1noc(C)c1-c1ccc2nc(C3CCN(C3)C(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1 |wU:24.34,(2.47,-4.57,;1.01,-5.05,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;4.29,3.36,;4.74,4.83,;3.48,5.72,;2.25,4.8,;3.46,7.26,;2.12,8.01,;4.79,8.05,;5.54,9.39,;6.33,8.07,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,)|
Cc1noc(C)c1-c1ccc2nc(C3CCN(C3)S(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1 |wU:23.32,(-2.95,-4.57,;-1.49,-5.05,;-1.01,-6.51,;.53,-6.51,;1.01,-5.05,;2.47,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.25,4.8,;3.48,5.72,;4.74,4.83,;4.29,3.36,;6.2,5.33,;5.7,6.79,;7.66,5.82,;6.7,3.87,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,)|
CC(=O)N1CCC=C(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:25.27,c:6,(-4.85,3.55,;-4.08,4.88,;-4.85,6.21,;-2.54,4.88,;-1.77,6.21,;-.23,6.21,;.54,4.88,;-.23,3.55,;-1.77,3.55,;.54,2.21,;2.08,2.21,;2.65,.78,;3.98,.01,;3.98,-1.53,;2.65,-2.3,;2.65,-3.84,;1.4,-4.75,;-.06,-4.27,;1.88,-6.21,;3.42,-6.21,;3.89,-4.75,;5.36,-4.27,;1.31,-1.53,;-.02,-2.3,;-1.36,-1.53,;-1.36,.01,;-2.69,.78,;-4.02,.01,;-5.36,.78,;-5.36,2.32,;-4.02,3.09,;-2.69,2.32,;-.02,.78,;1.31,.01,)|
CC(=O)N1CCC=C(C1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccnc(c4)C(C)=O)n1c23 |c:6,(.81,7.53,;2.34,7.39,;3.23,8.65,;2.99,5.99,;4.52,5.86,;5.17,4.46,;4.28,3.2,;2.75,3.34,;2.1,4.74,;1.86,2.08,;.32,2.08,;-.24,.48,;-1.57,-.29,;-1.57,-1.83,;-.24,-2.6,;-.24,-4.14,;1.01,-5.05,;2.47,-4.57,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;1.09,-1.83,;2.43,-2.6,;3.76,-1.83,;3.76,-.29,;5.09,.48,;5.1,2.02,;6.43,2.79,;7.76,2.02,;7.76,.48,;6.43,-.29,;9.09,-.29,;10.43,.48,;9.09,-1.83,;2.43,.48,;1.09,-.29,)|
Cc1noc(C)c1-c1ccc2nc(C3CCCN(C3)C(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1 |wU:25.35,(2.47,-4.57,;1.01,-5.05,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;4.28,3.2,;5.17,4.46,;4.52,5.86,;2.99,5.99,;2.1,4.74,;2.34,7.39,;.81,7.53,;3.23,8.65,;3.37,10.18,;4.63,9.3,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,)|
Cc1noc(C)c1-c1ccc2nc(C3CCCN(C3)S(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1 |wU:24.33,(-2.95,-4.57,;-1.49,-5.05,;-1.01,-6.51,;.53,-6.51,;1.01,-5.05,;2.47,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;4.28,3.2,;5.17,4.46,;4.52,5.86,;2.99,5.99,;2.1,4.74,;2.34,7.39,;3.74,8.04,;1.7,8.79,;.95,6.75,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;5.09,.48,;5.1,2.02,;6.43,2.79,;7.76,2.02,;7.76,.48,;6.43,-.29,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(CCc1c23)c1ccccc1 |(5.29,-2.67,;3.96,-3.44,;3.48,-4.91,;1.94,-4.91,;1.47,-3.44,;.13,-2.67,;2.71,-2.54,;2.71,-1,;4.04,-.23,;4.04,1.31,;2.71,2.08,;2.31,3.57,;.44,3.57,;-.33,4.91,;.04,2.08,;-1.29,1.31,;-1.29,-.23,;.04,-1,;1.38,-.23,;1.38,1.31,;-2.62,2.08,;-2.62,3.62,;-3.96,4.39,;-5.29,3.62,;-5.29,2.08,;-3.96,1.31,)|
Cc1noc(C)c1-c1ccc2n(C)c(=O)n3C(CCc1c23)c1ccccc1 |(5.29,-2.67,;3.96,-3.44,;3.48,-4.91,;1.94,-4.91,;1.47,-3.44,;.13,-2.67,;2.71,-2.54,;2.71,-1,;4.04,-.23,;4.04,1.31,;2.71,2.08,;2.31,3.57,;3.08,4.91,;.44,3.57,;-.33,4.91,;.04,2.08,;-1.29,1.31,;-1.29,-.23,;.04,-1,;1.38,-.23,;1.38,1.31,;-2.62,2.08,;-2.62,3.62,;-3.96,4.39,;-5.29,3.62,;-5.29,2.08,;-3.96,1.31,)|
COn1c2ccc(-c3c(C)noc3C)c3CCC(c4ccccn4)n(c23)c1=O |(4.89,4.26,;3.4,4.66,;2.31,3.57,;2.71,2.08,;4.04,1.31,;4.04,-.23,;2.71,-1,;2.71,-2.54,;3.96,-3.44,;5.29,-2.67,;3.48,-4.91,;1.94,-4.91,;1.47,-3.44,;.13,-2.67,;1.38,-.23,;.04,-1,;-1.29,-.23,;-1.29,1.31,;-2.62,2.08,;-2.62,3.62,;-3.96,4.39,;-5.29,3.62,;-5.29,2.08,;-3.96,1.31,;.04,2.08,;1.38,1.31,;.44,3.57,;-.33,4.91,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(CCc1c23)c1ccccn1 |(5.29,-2.67,;3.96,-3.44,;3.48,-4.91,;1.94,-4.91,;1.47,-3.44,;.13,-2.67,;2.71,-2.54,;2.71,-1,;4.04,-.23,;4.04,1.31,;2.71,2.08,;2.31,3.57,;.44,3.57,;-.33,4.91,;.04,2.08,;-1.29,1.31,;-1.29,-.23,;.04,-1,;1.38,-.23,;1.38,1.31,;-2.62,2.08,;-2.62,3.62,;-3.96,4.39,;-5.29,3.62,;-5.29,2.08,;-3.96,1.31,)|
Cc1noc(CO)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccccn1 |(-.49,-2.67,;.84,-3.44,;1.32,-4.91,;2.86,-4.91,;3.34,-3.44,;4.82,-3.04,;5.91,-4.13,;2.09,-2.54,;2.09,-1,;3.42,-.23,;3.42,1.31,;2.09,2.08,;1.69,3.57,;-.18,3.57,;-.95,4.91,;-.58,2.08,;-1.91,1.31,;-1.91,-.23,;-.58,-1,;.76,-.23,;.76,1.31,;-3.24,2.08,;-3.24,3.62,;-4.58,4.39,;-5.91,3.62,;-5.91,2.08,;-4.58,1.31,)|
Cc1noc(CF)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccccn1 |(-.49,-2.67,;.84,-3.44,;1.32,-4.91,;2.86,-4.91,;3.34,-3.44,;4.82,-3.04,;5.91,-4.13,;2.09,-2.54,;2.09,-1,;3.42,-.23,;3.42,1.31,;2.09,2.08,;1.69,3.57,;-.18,3.57,;-.95,4.91,;-.58,2.08,;-1.91,1.31,;-1.91,-.23,;-.58,-1,;.76,-.23,;.76,1.31,;-3.24,2.08,;-3.24,3.62,;-4.58,4.39,;-5.91,3.62,;-5.91,2.08,;-4.58,1.31,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1cccnc1C#N |(.13,-2.67,;1.47,-3.44,;1.94,-4.91,;3.48,-4.91,;3.96,-3.44,;5.29,-2.67,;2.71,-2.54,;2.71,-1,;4.04,-.23,;4.04,1.31,;2.71,2.08,;2.31,3.57,;.44,3.57,;-.33,4.91,;.04,2.08,;-1.29,1.31,;-1.29,-.23,;.04,-1,;1.38,-.23,;1.38,1.31,;-2.62,2.08,;-2.62,3.62,;-3.96,4.39,;-5.29,3.62,;-5.29,2.08,;-3.96,1.26,;-3.96,-.28,;-3.96,-1.82,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1cccnc1C(N)=O |(.13,-2.67,;1.47,-3.44,;1.94,-4.91,;3.48,-4.91,;3.96,-3.44,;5.29,-2.67,;2.71,-2.54,;2.71,-1,;4.04,-.23,;4.04,1.31,;2.71,2.08,;2.31,3.57,;.44,3.57,;-.33,4.91,;.04,2.08,;-1.29,1.31,;-1.29,-.23,;.04,-1,;1.38,-.23,;1.38,1.31,;-2.62,2.08,;-2.62,3.62,;-3.96,4.39,;-5.29,3.62,;-5.29,2.08,;-3.96,1.31,;-3.96,-.23,;-2.62,-1,;-5.29,-1,)|
CNC(=O)c1ncccc1C1COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C |(-2.62,-2.54,;-2.62,-1,;-3.96,-.23,;-5.29,-1,;-3.96,1.31,;-5.29,2.08,;-5.29,3.62,;-3.96,4.39,;-2.62,3.62,;-2.62,2.08,;-1.29,1.31,;-1.29,-.23,;.04,-1,;1.38,-.23,;2.71,-1,;4.04,-.23,;4.04,1.31,;2.71,2.08,;2.31,3.57,;.44,3.57,;-.33,4.91,;.04,2.08,;1.38,1.31,;2.71,-2.54,;1.47,-3.44,;.13,-2.67,;1.94,-4.91,;3.48,-4.91,;3.96,-3.44,;5.29,-2.67,)|
CN(C)C(=O)c1ncccc1C1COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C |(-5.96,-.23,;-4.62,-1,;-4.62,-2.54,;-3.29,-.23,;-1.96,-1,;-3.29,1.31,;-4.62,2.08,;-4.62,3.62,;-3.29,4.39,;-1.96,3.62,;-1.96,2.08,;-.62,1.31,;-.62,-.23,;.71,-1,;2.04,-.23,;3.38,-1,;4.71,-.23,;4.71,1.31,;3.38,2.08,;2.98,3.57,;1.11,3.57,;.34,4.91,;.71,2.08,;2.04,1.31,;3.38,-2.54,;2.13,-3.44,;.8,-2.67,;2.61,-4.91,;4.15,-4.91,;4.62,-3.44,;5.96,-2.67,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1cccnc1CN |(.13,-2.67,;1.47,-3.44,;1.94,-4.91,;3.48,-4.91,;3.96,-3.44,;5.29,-2.67,;2.71,-2.54,;2.71,-1,;4.04,-.23,;4.04,1.31,;2.71,2.08,;2.31,3.57,;.44,3.57,;-.33,4.91,;.04,2.08,;-1.29,1.31,;-1.29,-.23,;.04,-1,;1.38,-.23,;1.38,1.31,;-2.62,2.08,;-2.62,3.62,;-3.96,4.39,;-5.29,3.62,;-5.29,2.08,;-3.96,1.31,;-3.96,-.23,;-5.29,-1,)|
CC(=O)NCc1ncccc1C1COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C |(-5.96,-3.31,;-4.62,-2.54,;-3.29,-3.31,;-4.62,-1,;-3.29,-.23,;-3.29,1.31,;-4.62,2.08,;-4.62,3.62,;-3.29,4.39,;-1.96,3.62,;-1.96,2.08,;-.62,1.31,;-.62,-.23,;.71,-1,;2.04,-.23,;3.38,-1,;4.71,-.23,;4.71,1.31,;3.38,2.08,;2.98,3.57,;1.11,3.57,;.34,4.91,;.71,2.08,;2.04,1.31,;3.38,-2.54,;2.13,-3.44,;.8,-2.67,;2.61,-4.91,;4.15,-4.91,;4.62,-3.44,;5.96,-2.67,)|
COC(=O)c1ncccc1C1COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C |(-2.62,-2.54,;-2.62,-1,;-3.96,-.23,;-5.29,-1,;-3.96,1.31,;-5.29,2.08,;-5.29,3.62,;-3.96,4.39,;-2.62,3.62,;-2.62,2.08,;-1.29,1.31,;-1.29,-.23,;.04,-1,;1.38,-.23,;2.71,-1,;4.04,-.23,;4.04,1.31,;2.71,2.08,;2.31,3.57,;.44,3.57,;-.33,4.91,;.04,2.08,;1.38,1.31,;2.71,-2.54,;1.47,-3.44,;.13,-2.67,;1.94,-4.91,;3.48,-4.91,;3.96,-3.44,;5.29,-2.67,)|
CCNC(=O)c1ncccc1C1COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C |(-6.62,-1,;-5.29,-.23,;-3.96,-1,;-2.62,-.23,;-1.29,-1,;-2.62,1.31,;-3.96,2.08,;-3.96,3.62,;-2.62,4.39,;-1.29,3.62,;-1.29,2.08,;.04,1.31,;.04,-.23,;1.38,-1,;2.71,-.23,;4.04,-1,;5.38,-.23,;5.38,1.31,;4.04,2.08,;3.65,3.57,;1.78,3.57,;1.01,4.91,;1.38,2.08,;2.71,1.31,;4.04,-2.54,;2.8,-3.44,;1.47,-2.67,;3.27,-4.91,;4.81,-4.91,;5.29,-3.44,;6.62,-2.67,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1cccnc1C(=O)NC1CC1 |(1.47,-2.67,;2.8,-3.44,;3.27,-4.91,;4.81,-4.91,;5.29,-3.44,;6.62,-2.67,;4.04,-2.54,;4.04,-1,;5.38,-.23,;5.38,1.31,;4.04,2.08,;3.65,3.57,;1.78,3.57,;1.01,4.91,;1.38,2.08,;.04,1.31,;.04,-.23,;1.38,-1,;2.71,-.23,;2.71,1.31,;-1.29,2.08,;-1.29,3.62,;-2.62,4.39,;-3.96,3.62,;-3.96,2.08,;-2.62,1.31,;-2.62,-.23,;-1.29,-1,;-3.96,-1,;-5.29,-.23,;-5.92,1.18,;-6.82,-.06,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1cccnc1C(=O)NCCO |(1.47,-2.67,;2.8,-3.44,;3.27,-4.91,;4.81,-4.91,;5.29,-3.44,;6.62,-2.67,;4.04,-2.54,;4.04,-1,;5.38,-.23,;5.38,1.31,;4.04,2.08,;3.65,3.57,;1.78,3.57,;1.01,4.91,;1.38,2.08,;.04,1.31,;.04,-.23,;1.38,-1,;2.71,-.23,;2.71,1.31,;-1.29,2.08,;-1.29,3.62,;-2.62,4.39,;-3.96,3.62,;-3.96,2.08,;-2.62,1.31,;-2.62,-.23,;-1.29,-1,;-3.96,-1,;-5.29,-.23,;-6.62,-1,;-7.96,-.23,)|
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1cccnc1C(=O)NCC(F)(F)F |(1.47,-2.67,;2.8,-3.44,;3.27,-4.91,;4.81,-4.91,;5.29,-3.44,;6.62,-2.67,;4.04,-2.54,;4.04,-1,;5.38,-.23,;5.38,1.31,;4.04,2.08,;3.65,3.57,;1.78,3.57,;1.01,4.91,;1.38,2.08,;.04,1.31,;.04,-.23,;1.38,-1,;2.71,-.23,;2.71,1.31,;-1.29,2.08,;-1.29,3.62,;-2.62,4.39,;-3.96,3.62,;-3.96,2.08,;-2.62,1.31,;-2.62,-.23,;-1.29,-1,;-3.96,-1,;-5.29,-.23,;-6.62,-1,;-7.96,-.23,;-6.62,-2.54,;-5.29,-1.77,)|
Cc1noc(C)c1-c1cc(CN)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |r,wD:17.25,(-.58,-2.67,;.75,-3.44,;1.23,-4.91,;2.77,-4.91,;3.25,-3.44,;4.58,-2.67,;2,-2.54,;2,-1,;3.33,-.23,;3.33,1.31,;4.67,2.08,;6,1.31,;2,2.08,;1.6,3.57,;-.27,3.57,;-1.04,4.91,;-.67,2.08,;-2,1.31,;-2,-.23,;-.67,-1,;.67,-.23,;.67,1.31,;-3.33,2.08,;-3.33,3.62,;-4.67,4.39,;-6,3.62,;-6,2.08,;-4.67,1.31,)|
CC(=O)NCc1cc(-c2c(C)noc2C)c2OC[C@H](c3ccccn3)n3c2c1[nH]c3=O |r,wD:18.19,(7.34,1.31,;6,2.08,;6,3.62,;4.67,1.31,;3.33,2.08,;2,1.31,;2,-.23,;.67,-1,;.67,-2.54,;-.58,-3.44,;-1.91,-2.67,;-.1,-4.91,;1.44,-4.91,;1.91,-3.44,;3.25,-2.67,;-.67,-.23,;-2,-1,;-3.33,-.23,;-3.33,1.31,;-4.67,2.08,;-4.67,3.62,;-6,4.39,;-7.34,3.62,;-7.34,2.08,;-6,1.31,;-2,2.08,;-.67,1.31,;.67,2.08,;.27,3.57,;-1.6,3.57,;-2.37,4.91,)|
Cc1noc(C)c1-c1cc(CNC(=O)Cc2ccccc2)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |wD:26.35,(-4.04,-2.94,;-2.58,-3.41,;-2.1,-4.88,;-.56,-4.88,;-.09,-3.41,;1.38,-2.94,;-1.33,-2.51,;-1.33,-.97,;,-.2,;,1.34,;1.33,2.11,;2.67,1.34,;4,2.11,;4,3.65,;5.33,1.34,;6.67,2.11,;6.67,3.65,;8,4.42,;9.34,3.65,;9.34,2.11,;8,1.34,;-1.33,2.11,;-1.9,3.55,;-3.44,3.55,;-4.21,4.88,;-4,2.11,;-5.33,1.34,;-5.33,-.2,;-4,-.97,;-2.67,-.2,;-2.67,1.34,;-6.67,2.11,;-8,1.34,;-9.34,2.11,;-9.34,3.65,;-8,4.42,;-6.67,3.65,)|
COCC(=O)NCc1cc(-c2c(C)noc2C)c2OC[C@H](c3ccccn3)n3c2c1[nH]c3=O |wD:20.21,(8.67,1.34,;7.34,2.11,;6,1.34,;4.67,2.11,;4.67,3.65,;3.33,1.34,;2,2.11,;.67,1.34,;.67,-.2,;-.67,-.97,;-.67,-2.51,;-1.91,-3.41,;-3.38,-2.94,;-1.44,-4.88,;.1,-4.88,;.58,-3.41,;2.04,-2.94,;-2,-.2,;-3.33,-.97,;-4.67,-.2,;-4.67,1.34,;-6,2.11,;-7.34,1.34,;-8.67,2.11,;-8.67,3.65,;-7.34,4.42,;-6,3.65,;-3.33,2.11,;-2,1.34,;-.67,2.11,;-1.23,3.55,;-2.77,3.55,;-3.54,4.88,)|
Cc1noc(C)c1-c1cc(CNS(C)(=O)=O)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |wD:21.29,(-2.04,-2.94,;-.58,-3.41,;-.1,-4.88,;1.44,-4.88,;1.91,-3.41,;3.38,-2.94,;.67,-2.51,;.67,-.97,;2,-.2,;2,1.34,;3.33,2.11,;4.67,1.34,;6,2.11,;7.34,2.88,;6.77,.78,;5.23,3.44,;.67,2.11,;.11,3.55,;-1.43,3.55,;-2.2,4.88,;-2,2.11,;-3.33,1.34,;-3.33,-.2,;-2,-.97,;-.67,-.2,;-.67,1.34,;-4.67,2.11,;-6,1.34,;-7.34,2.11,;-7.34,3.65,;-6,4.42,;-4.67,3.65,)|
CC(C)NC(=O)NCc1cc(-c2c(C)noc2C)c2OC[C@H](c3ccccn3)n3c2c1[nH]c3=O |wD:21.22,(7.34,3.65,;7.34,2.11,;8.67,1.34,;6,1.34,;4.67,2.11,;4.67,3.65,;3.33,1.34,;2,2.11,;.67,1.34,;.67,-.2,;-.67,-.97,;-.67,-2.51,;-1.91,-3.41,;-3.38,-2.94,;-1.44,-4.88,;.1,-4.88,;.58,-3.41,;2.04,-2.94,;-2,-.2,;-3.33,-.97,;-4.67,-.2,;-4.67,1.34,;-6,2.11,;-7.34,1.34,;-8.67,2.11,;-8.67,3.65,;-7.34,4.42,;-6,3.65,;-3.33,2.11,;-2,1.34,;-.67,2.11,;-1.23,3.55,;-2.77,3.55,;-3.54,4.88,)|
CN(C)CC(=O)NCc1cc(-c2c(C)noc2C)c2OC[C@H](c3ccccn3)n3c2c1[nH]c3=O |wD:21.22,(7.34,3.65,;7.34,2.11,;8.67,1.34,;6,1.34,;4.67,2.11,;4.67,3.65,;3.33,1.34,;2,2.11,;.67,1.34,;.67,-.2,;-.67,-.97,;-.67,-2.51,;-1.91,-3.41,;-3.38,-2.94,;-1.44,-4.88,;.1,-4.88,;.58,-3.41,;2.04,-2.94,;-2,-.2,;-3.33,-.97,;-4.67,-.2,;-4.67,1.34,;-6,2.11,;-7.34,1.34,;-8.67,2.11,;-8.67,3.65,;-7.34,4.42,;-6,3.65,;-3.33,2.11,;-2,1.34,;-.67,2.11,;-1.23,3.55,;-2.77,3.55,;-3.54,4.88,)|
CC(O)c1cc(-c2c(C)noc2C)c2OC[C@H](c3ccccn3)n3c2c1[nH]c3=O |r,wD:16.17,(6,1.31,;4.67,2.08,;4.67,3.62,;3.33,1.31,;3.33,-.23,;2,-1,;2,-2.54,;.75,-3.44,;-.58,-2.67,;1.23,-4.91,;2.77,-4.91,;3.25,-3.44,;4.58,-2.67,;.67,-.23,;-.67,-1,;-2,-.23,;-2,1.31,;-3.33,2.08,;-3.33,3.62,;-4.67,4.39,;-6,3.62,;-6,2.08,;-4.67,1.31,;-.67,2.08,;.67,1.31,;2,2.08,;1.6,3.57,;-.27,3.57,;-1.04,4.91,)|
CC(O)c1cc(-c2c(C)noc2C)c2OC[C@@H](c3ccccn3)n3c2c1[nH]c3=O |r,wU:16.17,(6,1.31,;4.67,2.08,;4.67,3.62,;3.33,1.31,;3.33,-.23,;2,-1,;2,-2.54,;.75,-3.44,;-.58,-2.67,;1.23,-4.91,;2.77,-4.91,;3.25,-3.44,;4.58,-2.67,;.67,-.23,;-.67,-1,;-2,-.23,;-2,1.31,;-3.33,2.08,;-3.33,3.62,;-4.67,4.39,;-6,3.62,;-6,2.08,;-4.67,1.31,;-.67,2.08,;.67,1.31,;2,2.08,;1.6,3.57,;-.27,3.57,;-1.04,4.91,)|
CC(C)NC(=O)[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wU:6.5,wD:27.29,(6.88,2.99,;5.79,4.08,;6.19,5.57,;4.3,3.68,;3.21,4.77,;3.61,6.26,;1.73,4.38,;.26,4.85,;-.64,3.61,;.26,2.36,;1.73,2.84,;-.51,1.03,;.26,-.31,;-.51,-1.64,;-.51,-3.18,;-1.84,-3.95,;-3.18,-3.18,;-4.51,-3.95,;-4.51,-5.49,;-3.18,-6.26,;-5.97,-5.97,;-6.88,-4.72,;-5.97,-3.48,;-6.74,-2.14,;-3.18,-1.64,;-4.51,-.87,;-4.51,.67,;-3.18,1.44,;-3.18,2.98,;-4.51,3.75,;-4.51,5.29,;-3.18,6.06,;-1.84,5.29,;-1.84,3.75,;-1.84,.67,;-1.84,-.87,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC(C)(O)C3)n3[C@H](COc1c23)c1ccccn1 |r,wD:21.30,(-.6,-6.22,;-1.93,-5.45,;-3.4,-5.93,;-4.3,-4.68,;-3.4,-3.44,;-4.17,-2.1,;-1.93,-3.91,;-.6,-3.14,;.73,-3.91,;2.07,-3.14,;2.07,-1.6,;2.84,-.27,;2.07,1.06,;2.84,2.4,;4.3,2.87,;4.3,4.41,;2.84,4.89,;3.61,6.22,;2.07,6.22,;1.93,3.64,;.73,.71,;-.6,1.48,;-1.93,.71,;-1.93,-.83,;-.6,-1.6,;.73,-.83,;-.6,3.02,;.73,3.79,;.73,5.33,;-.6,6.1,;-1.93,5.33,;-1.93,3.79,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@@](C)(O)C3)n3[C@H](COc1c23)c1ccccn1 |r,wU:16.17,wD:21.30,16.18,(-.6,-6.22,;-1.93,-5.45,;-3.4,-5.93,;-4.3,-4.68,;-3.4,-3.44,;-4.17,-2.1,;-1.93,-3.91,;-.6,-3.14,;.73,-3.91,;2.07,-3.14,;2.07,-1.6,;2.84,-.27,;2.07,1.06,;2.84,2.4,;4.3,2.87,;4.3,4.41,;2.84,4.89,;3.61,6.22,;2.07,6.22,;1.93,3.64,;.73,.71,;-.6,1.48,;-1.93,.71,;-1.93,-.83,;-.6,-1.6,;.73,-.83,;-.6,3.02,;.73,3.79,;.73,5.33,;-.6,6.1,;-1.93,5.33,;-1.93,3.79,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@](C)(O)C3)n3[C@H](COc1c23)c1ccccn1 |wU:21.30,16.18,wD:16.17,(2.47,-4.57,;1.01,-5.05,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;4.29,3.36,;4.74,4.83,;3.48,5.72,;4.22,7.07,;2.71,7.05,;2.25,4.8,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,)|
Cc1noc(C)c1-c1ccc2nc(N3CCCN(CC3)S(N)(=O)=O)n3[C@H](COc1c23)c1ccccn1 |r,wD:25.34,(-2.03,-6.75,;-3.37,-5.98,;-4.83,-6.46,;-5.74,-5.21,;-4.83,-3.97,;-5.6,-2.63,;-3.37,-4.44,;-2.03,-3.67,;-.7,-4.44,;.63,-3.67,;.63,-2.13,;1.4,-.8,;.63,.54,;1.4,1.87,;.44,3.07,;.79,4.57,;2.17,5.24,;3.56,4.57,;3.9,3.07,;2.94,1.87,;4.65,5.66,;5.74,4.57,;5.74,6.75,;3.56,6.75,;-.7,.18,;-2.03,.95,;-3.37,.18,;-3.37,-1.36,;-2.03,-2.13,;-.7,-1.36,;-2.03,2.49,;-.7,3.26,;-.7,4.8,;-2.03,5.57,;-3.37,4.8,;-3.37,3.26,)|
CC(=O)N1CCCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:26.28,(5.98,4.51,;4.65,5.28,;4.65,6.82,;3.32,4.51,;1.93,5.18,;.54,4.51,;.2,3.01,;1.16,1.8,;2.7,1.8,;3.66,3.01,;.39,.47,;1.16,-.86,;.39,-2.2,;.39,-3.74,;-.95,-4.51,;-2.28,-3.74,;-3.61,-4.51,;-3.61,-6.05,;-2.28,-6.82,;-5.08,-6.52,;-5.98,-5.28,;-5.08,-4.03,;-5.85,-2.7,;-2.28,-2.2,;-3.61,-1.43,;-3.61,.11,;-2.28,.88,;-2.28,2.42,;-3.61,3.19,;-3.61,4.73,;-2.28,5.5,;-.95,4.73,;-.95,3.19,;-.95,.11,;-.95,-1.43,)|
Cc1noc(C)c1-c1ccc2nc(N3CCCN(CC3)S(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1 |r,wD:25.34,(-2.28,-6.72,;-3.61,-5.95,;-5.08,-6.42,;-5.98,-5.18,;-5.08,-3.93,;-5.85,-2.6,;-3.61,-4.41,;-2.28,-3.64,;-.95,-4.41,;.39,-3.64,;.39,-2.1,;1.16,-.76,;.39,.57,;1.16,1.91,;.2,3.11,;.54,4.61,;1.93,5.28,;3.32,4.61,;3.66,3.11,;2.7,1.91,;4.65,5.38,;5.42,4.05,;5.98,6.15,;3.88,6.72,;-.95,.21,;-2.28,.98,;-3.61,.21,;-3.61,-1.33,;-2.28,-2.1,;-.95,-1.33,;-2.28,2.52,;-3.61,3.29,;-3.61,4.83,;-2.28,5.6,;-.95,4.83,;-.95,3.29,)|
Cc1noc(C)c1-c1ccc2nc(N3CCNCC3)n3[C@H](COc1c23)c1ccccn1 |r,wD:20.29,(-1.03,-6.16,;-2.36,-5.39,;-3.83,-5.87,;-4.73,-4.62,;-3.83,-3.37,;-4.6,-2.04,;-2.36,-3.85,;-1.03,-3.08,;.3,-3.85,;1.64,-3.08,;1.64,-1.54,;2.41,-.21,;1.64,1.13,;2.41,2.46,;3.96,2.46,;4.73,3.79,;3.96,5.13,;2.42,5.13,;1.65,3.79,;.3,.77,;-1.03,1.54,;-2.36,.77,;-2.36,-.77,;-1.03,-1.54,;.3,-.77,;-1.03,3.08,;-2.36,3.85,;-2.36,5.39,;-1.03,6.16,;.3,5.39,;.3,3.85,)|
CN(C)C(=O)CN1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:28.30,(4.35,7.64,;5.12,6.31,;6.66,6.31,;4.35,4.98,;5.12,3.64,;2.81,4.98,;2.04,3.64,;2.81,2.31,;2.04,.98,;.48,.98,;-.27,2.31,;.5,3.64,;-.29,-.36,;.48,-1.69,;-.29,-3.02,;-.29,-4.56,;-1.62,-5.33,;-2.96,-4.56,;-4.29,-5.33,;-4.29,-6.87,;-2.96,-7.64,;-5.75,-7.35,;-6.66,-6.1,;-5.75,-4.86,;-6.52,-3.53,;-2.96,-3.02,;-4.29,-2.25,;-4.29,-.71,;-2.96,.06,;-2.96,1.6,;-4.29,2.37,;-4.29,3.91,;-2.96,4.68,;-1.62,3.91,;-1.62,2.37,;-1.62,-.71,;-1.62,-2.25,)|
CN([C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(=O)CC#N |r,wU:2.1,wD:23.25,(2.3,6.47,;2.3,4.93,;.97,4.16,;-.5,4.64,;-1.4,3.39,;-.5,2.15,;.97,2.62,;-1.27,.81,;-.5,-.52,;-1.27,-1.85,;-1.27,-3.39,;-2.6,-4.16,;-3.93,-3.39,;-5.27,-4.16,;-5.27,-5.7,;-3.93,-6.47,;-6.73,-6.18,;-7.64,-4.93,;-6.73,-3.69,;-7.5,-2.35,;-3.93,-1.85,;-5.27,-1.08,;-5.27,.46,;-3.93,1.23,;-3.93,2.77,;-2.6,3.54,;-2.6,5.08,;-3.93,5.85,;-5.27,5.08,;-5.27,3.54,;-2.6,.46,;-2.6,-1.08,;3.64,4.16,;3.64,2.62,;4.97,4.93,;6.3,4.16,;7.64,3.39,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NC(=O)N3CCOCC3)n3[C@H](COc1c23)c1ccccn1 |r,wU:16.19,wD:28.38,(-3.93,-6.86,;-5.27,-6.09,;-6.73,-6.56,;-7.64,-5.32,;-6.73,-4.07,;-7.5,-2.74,;-5.27,-4.55,;-3.93,-3.78,;-2.6,-4.55,;-1.27,-3.78,;-1.27,-2.24,;-.5,-.9,;-1.27,.43,;-.5,1.76,;-1.4,3.01,;-.5,4.25,;.97,3.78,;.97,2.24,;2.3,4.55,;3.64,3.78,;3.64,2.24,;4.97,4.55,;6.3,3.78,;7.64,4.55,;7.64,6.09,;6.3,6.86,;4.97,6.09,;-2.6,.07,;-3.93,.84,;-5.27,.07,;-5.27,-1.47,;-3.93,-2.24,;-2.6,-1.47,;-3.93,2.38,;-5.27,3.15,;-5.27,4.69,;-3.93,5.46,;-2.6,4.69,;-2.6,3.15,)|
Cc1noc(C)c1-c1ccc2nc(C)n3[C@H](COc1c23)c1ccccn1 |r,wD:15.23,(-3.44,-2.04,;-2.67,-3.37,;-3.57,-4.62,;-2.67,-5.87,;-1.2,-5.39,;.13,-6.16,;-1.2,-3.85,;.13,-3.08,;1.47,-3.85,;2.8,-3.08,;2.8,-1.54,;3.57,-.21,;2.8,1.13,;3.57,2.46,;1.47,.77,;.13,1.54,;-1.2,.77,;-1.2,-.77,;.13,-1.54,;1.47,-.77,;.13,3.08,;1.47,3.85,;1.47,5.39,;.13,6.16,;-1.2,5.39,;-1.2,3.85,)|
COC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wU:5.4,wD:26.28,(6.88,3.1,;5.79,4.19,;4.3,3.79,;3.9,2.3,;3.21,4.88,;1.73,4.48,;.26,4.95,;-.64,3.71,;.26,2.46,;1.73,2.94,;-.51,1.13,;.26,-.21,;-.51,-1.54,;-.51,-3.08,;-1.84,-3.85,;-3.18,-3.08,;-4.51,-3.85,;-4.51,-5.39,;-3.18,-6.16,;-5.97,-5.87,;-6.88,-4.62,;-5.97,-3.37,;-6.74,-2.04,;-3.18,-1.54,;-4.51,-.77,;-4.51,.77,;-3.18,1.54,;-3.18,3.08,;-4.51,3.85,;-4.51,5.39,;-3.18,6.16,;-1.84,5.39,;-1.84,3.85,;-1.84,.77,;-1.84,-.77,)|
CN(C)c1nc2c(F)cc(-c3c(C)noc3C)c3OCC(c4cccnc4)n1c23 |(2.03,3.79,;2.8,2.46,;4.34,2.46,;2.03,1.13,;2.8,-.21,;2.03,-1.54,;2.03,-3.08,;3.36,-3.85,;.7,-3.85,;-.64,-3.08,;-1.97,-3.85,;-1.97,-5.39,;-.64,-6.16,;-3.44,-5.87,;-4.34,-4.62,;-3.44,-3.37,;-4.21,-2.04,;-.64,-1.54,;-1.97,-.77,;-1.97,.77,;-.64,1.54,;-.64,3.08,;-1.97,3.85,;-1.97,5.39,;-.64,6.16,;.7,5.39,;.7,3.85,;.7,.77,;.7,-.77,)|
Cc1noc(C)c1-c1cc(F)c2nc(N3CCC(O)C3)n3C(COc1c23)c1cccnc1 |(-1.8,-6.16,;-3.14,-5.39,;-4.6,-5.87,;-5.51,-4.62,;-4.6,-3.37,;-5.37,-2.04,;-3.14,-3.85,;-1.8,-3.08,;-.47,-3.85,;.86,-3.08,;2.2,-3.85,;.86,-1.54,;2.2,-.77,;1.39,.87,;2.16,2.21,;1.68,3.67,;2.93,4.58,;4.17,3.67,;5.51,4.44,;3.7,2.21,;-.47,.77,;-1.8,1.54,;-3.14,.77,;-3.14,-.77,;-1.8,-1.54,;-.47,-.77,;-1.8,3.08,;-3.14,3.85,;-3.14,5.39,;-1.8,6.16,;-.47,5.39,;-.47,3.85,)|
CCNc1nc2c(F)cc(-c3c(C)noc3C)c3OCC(c4cccnc4)n1c23 |(4.99,3.54,;4.22,2.21,;2.68,2.21,;1.91,.87,;2.72,-.77,;1.38,-1.54,;1.38,-3.08,;2.72,-3.85,;.05,-3.85,;-1.28,-3.08,;-2.62,-3.85,;-2.62,-5.39,;-1.28,-6.16,;-4.08,-5.87,;-4.99,-4.62,;-4.08,-3.37,;-4.85,-2.04,;-1.28,-1.54,;-2.62,-.77,;-2.62,.77,;-1.28,1.54,;-1.28,3.08,;-2.62,3.85,;-2.62,5.39,;-1.28,6.16,;.05,5.39,;.05,3.85,;.05,.77,;.05,-.77,)|
Cc1noc(C)c1-c1cc(F)c2nc(N3CC[C@@H](O)C3)n3C(COc1c23)c1cccnc1 |r,wU:17.18,(-1.68,-6.32,;-2.77,-5.23,;-4.27,-5.55,;-5.04,-4.21,;-4.01,-3.07,;-4.41,-1.58,;-2.61,-3.69,;-1.27,-2.92,;.06,-3.69,;1.4,-2.92,;2.73,-3.69,;1.4,-1.38,;2.73,-.61,;1.96,1.14,;2.73,2.48,;2.11,3.88,;3.25,4.91,;4.58,4.14,;5.99,4.77,;4.26,2.64,;.06,.93,;-1.27,1.7,;-2.61,.93,;-2.61,-.61,;-1.27,-1.38,;.06,-.61,;-1.27,3.24,;-2.61,4.01,;-2.61,5.55,;-1.27,6.32,;.06,5.55,;.06,4.01,)|
Cc1noc(C)c1-c1cc(F)c2nc(N3CC[C@@H](O)C3)n3[C@@H](COc1c23)c1cccnc1 |r,wU:21.30,17.18,(-1.68,-6.32,;-2.77,-5.23,;-4.27,-5.55,;-5.04,-4.21,;-4.01,-3.07,;-4.41,-1.58,;-2.61,-3.69,;-1.27,-2.92,;.06,-3.69,;1.4,-2.92,;2.73,-3.69,;1.4,-1.38,;2.73,-.61,;1.96,1.14,;2.73,2.48,;2.11,3.88,;3.25,4.91,;4.58,4.14,;5.99,4.77,;4.26,2.64,;.06,.93,;-1.27,1.7,;-2.61,.93,;-2.61,-.61,;-1.27,-1.38,;.06,-.61,;-1.27,3.24,;-2.61,4.01,;-2.61,5.55,;-1.27,6.32,;.06,5.55,;.06,4.01,)|
Cc1noc(C)c1-c1cc(F)c2nc(N3CC[C@@H](O)C3)n3[C@H](COc1c23)c1cccnc1 |r,wU:17.18,wD:21.30,(-1.68,-6.32,;-2.77,-5.23,;-4.27,-5.55,;-5.04,-4.21,;-4.01,-3.07,;-4.41,-1.58,;-2.61,-3.69,;-1.27,-2.92,;.06,-3.69,;1.4,-2.92,;2.73,-3.69,;1.4,-1.38,;2.73,-.61,;1.96,1.14,;2.73,2.48,;2.11,3.88,;3.25,4.91,;4.58,4.14,;5.99,4.77,;4.26,2.64,;.06,.93,;-1.27,1.7,;-2.61,.93,;-2.61,-.61,;-1.27,-1.38,;.06,-.61,;-1.27,3.24,;-2.61,4.01,;-2.61,5.55,;-1.27,6.32,;.06,5.55,;.06,4.01,)|
Cc1noc(C)c1-c1cc(F)c2nc(N3CC[C@H](O)C3)n3[C@@H](COc1c23)c1cccnc1 |r,wU:21.30,wD:17.18,(-1.68,-6.32,;-2.77,-5.23,;-4.27,-5.55,;-5.04,-4.21,;-4.01,-3.07,;-4.41,-1.58,;-2.61,-3.69,;-1.27,-2.92,;.06,-3.69,;1.4,-2.92,;2.73,-3.69,;1.4,-1.38,;2.73,-.61,;1.96,1.14,;2.73,2.48,;2.11,3.88,;3.25,4.91,;4.58,4.14,;5.99,4.77,;4.26,2.64,;.06,.93,;-1.27,1.7,;-2.61,.93,;-2.61,-.61,;-1.27,-1.38,;.06,-.61,;-1.27,3.24,;-2.61,4.01,;-2.61,5.55,;-1.27,6.32,;.06,5.55,;.06,4.01,)|
Cc1noc(C)c1-c1cc(F)c2nc(N3CC[C@H](O)C3)n3[C@H](COc1c23)c1cccnc1 |r,wD:21.30,17.18,(-1.68,-6.32,;-2.77,-5.23,;-4.27,-5.55,;-5.04,-4.21,;-4.01,-3.07,;-4.41,-1.58,;-2.61,-3.69,;-1.27,-2.92,;.06,-3.69,;1.4,-2.92,;2.73,-3.69,;1.4,-1.38,;2.73,-.61,;1.96,1.14,;2.73,2.48,;2.11,3.88,;3.25,4.91,;4.58,4.14,;5.99,4.77,;4.26,2.64,;.06,.93,;-1.27,1.7,;-2.61,.93,;-2.61,-.61,;-1.27,-1.38,;.06,-.61,;-1.27,3.24,;-2.61,4.01,;-2.61,5.55,;-1.27,6.32,;.06,5.55,;.06,4.01,)|
Cc1noc(C)c1-c1ccc2nc(N3CC(O)C3)n3[C@@H](COc1c23)c1cccnc1 |r,wU:19.28,(-1.06,-6.16,;-2.39,-5.39,;-3.86,-5.87,;-4.76,-4.62,;-3.86,-3.37,;-4.63,-2.04,;-2.39,-3.85,;-1.06,-3.08,;.28,-3.85,;1.61,-3.08,;1.61,-1.54,;2.94,-.77,;2.13,.87,;2.9,2.21,;4.39,2.6,;3.99,4.09,;4.76,5.43,;2.5,3.69,;.28,.77,;-1.06,1.54,;-2.39,.77,;-2.39,-.77,;-1.06,-1.54,;.28,-.77,;-1.06,3.08,;-2.39,3.85,;-2.39,5.39,;-1.06,6.16,;.28,5.39,;.28,3.85,)|
Cc1noc(C)c1-c1ccc2nc(N3CC(O)C3)n3[C@H](COc1c23)c1cccnc1 |r,wD:19.28,(-1.06,-6.16,;-2.39,-5.39,;-3.86,-5.87,;-4.76,-4.62,;-3.86,-3.37,;-4.63,-2.04,;-2.39,-3.85,;-1.06,-3.08,;.28,-3.85,;1.61,-3.08,;1.61,-1.54,;2.94,-.77,;2.13,.87,;2.9,2.21,;4.39,2.6,;3.99,4.09,;4.76,5.43,;2.5,3.69,;.28,.77,;-1.06,1.54,;-2.39,.77,;-2.39,-.77,;-1.06,-1.54,;.28,-.77,;-1.06,3.08,;-2.39,3.85,;-2.39,5.39,;-1.06,6.16,;.28,5.39,;.28,3.85,)|
Cc1noc(C)c1-c1ccc2nc(N3CCOCC3)n3[C@H](COc1c23)c1ccccn1 |wD:20.29,(-.06,-4.27,;1.4,-4.75,;1.88,-6.21,;3.42,-6.21,;3.89,-4.75,;5.36,-4.27,;2.65,-3.84,;2.65,-2.3,;3.98,-1.53,;3.98,.01,;2.65,.78,;2.08,2.21,;.54,2.21,;-.23,3.55,;-1.77,3.55,;-2.54,4.88,;-1.77,6.21,;-.23,6.21,;.54,4.88,;-.02,.78,;-1.36,.01,;-1.36,-1.53,;-.02,-2.3,;1.31,-1.53,;1.31,.01,;-2.69,.78,;-4.02,.01,;-5.36,.78,;-5.36,2.32,;-4.02,3.09,;-2.69,2.32,)|
Cc1noc(C)c1-c1ccc2nc(N3CCCC3)n3[C@H](COc1c23)c1ccccn1 |wD:19.28,(-.06,-4.16,;1.4,-4.63,;1.88,-6.1,;3.42,-6.1,;3.89,-4.63,;5.36,-4.16,;2.65,-3.73,;2.65,-2.19,;3.98,-1.42,;3.98,.12,;2.65,.89,;2.08,2.33,;.54,2.33,;-.23,3.66,;-1.76,3.82,;-2.08,5.33,;-.75,6.1,;.4,5.07,;-.02,.89,;-1.36,.12,;-1.36,-1.42,;-.02,-2.19,;1.31,-1.42,;1.31,.12,;-2.69,.89,;-4.02,.12,;-5.36,.89,;-5.36,2.43,;-4.02,3.2,;-2.69,2.43,)|
CN1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:23.25,(-2.54,6.88,;-1.77,5.55,;-2.54,4.21,;-1.77,2.88,;-.23,2.88,;.54,4.21,;-.23,5.55,;.54,1.54,;2.08,1.54,;2.65,.11,;3.98,-.66,;3.98,-2.2,;2.65,-2.97,;2.65,-4.51,;1.4,-5.41,;-.06,-4.94,;1.88,-6.88,;3.42,-6.88,;3.89,-5.41,;5.36,-4.94,;1.31,-2.2,;-.02,-2.97,;-1.36,-2.2,;-1.36,-.66,;-2.69,.11,;-4.02,-.66,;-5.36,.11,;-5.36,1.65,;-4.02,2.42,;-2.69,1.65,;-.02,.11,;1.31,-.66,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC3)n3[C@H](COc1c23)c1ccccn1 |wD:18.27,(-.06,-3.88,;1.4,-4.36,;1.88,-5.82,;3.42,-5.82,;3.89,-4.36,;5.36,-3.88,;2.65,-3.45,;2.65,-1.91,;3.98,-1.14,;3.98,.4,;2.65,1.17,;2.08,2.6,;.54,2.6,;-.23,3.94,;-1.72,4.33,;-1.32,5.82,;.17,5.42,;-.02,1.17,;-1.36,.4,;-1.36,-1.14,;-.02,-1.91,;1.31,-1.14,;1.31,.4,;-2.69,1.17,;-4.02,.4,;-5.36,1.17,;-5.36,2.71,;-4.02,3.48,;-2.69,2.71,)|
Cc1noc(C)c1-c1ccc2nc(N3CC(O)C3)n3[C@H](COc1c23)c1ccccn1 |wD:19.28,(-.06,-4.55,;1.4,-5.02,;1.88,-6.49,;3.42,-6.49,;3.89,-5.02,;5.36,-4.55,;2.65,-4.12,;2.65,-2.58,;3.98,-1.81,;3.98,-.27,;2.65,.5,;2.08,1.94,;.54,1.94,;-.23,3.27,;-1.71,3.67,;-1.31,5.15,;-2.08,6.49,;.17,4.76,;-.02,.5,;-1.36,-.27,;-1.36,-1.81,;-.02,-2.58,;1.31,-1.81,;1.31,-.27,;-2.69,.5,;-4.02,-.27,;-5.36,.5,;-5.36,2.04,;-4.02,2.81,;-2.69,2.04,)|
CN1CCN(CC1=O)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:24.26,(-2.54,6.88,;-1.77,5.55,;-.23,5.55,;.54,4.21,;-.23,2.88,;-1.77,2.88,;-2.54,4.21,;-4.08,4.21,;.54,1.54,;2.08,1.54,;2.65,.11,;3.98,-.66,;3.98,-2.2,;2.65,-2.97,;2.65,-4.51,;1.4,-5.41,;-.06,-4.94,;1.88,-6.88,;3.42,-6.88,;3.89,-5.41,;5.36,-4.94,;1.31,-2.2,;-.02,-2.97,;-1.36,-2.2,;-1.36,-.66,;-2.69,.11,;-4.02,-.66,;-5.36,.11,;-5.36,1.65,;-4.02,2.42,;-2.69,1.65,;-.02,.11,;1.31,-.66,)|
CCOC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-2.02,6.21,;-1.25,7.55,;-1.25,4.88,;.29,4.88,;1.06,3.55,;.29,2.21,;-1.25,2.21,;-2.02,3.55,;1.06,.88,;2.6,.88,;3.16,-.56,;4.49,-1.33,;4.49,-2.87,;3.16,-3.64,;3.16,-5.18,;1.91,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.49,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.49,-.56,;1.83,-1.33,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@@H](O)C3)n3[C@H](COc1c23)c1cccnc1 |r,wU:16.17,wD:20.29,(-1.8,-6.16,;-3.14,-5.39,;-4.6,-5.87,;-5.51,-4.62,;-4.6,-3.37,;-5.37,-2.04,;-3.14,-3.85,;-1.8,-3.08,;-.47,-3.85,;.86,-3.08,;.86,-1.54,;2.2,-.77,;1.39,.87,;2.16,2.21,;1.68,3.67,;2.93,4.58,;4.17,3.67,;5.51,4.44,;3.7,2.21,;-.47,.77,;-1.8,1.54,;-3.14,.77,;-3.14,-.77,;-1.8,-1.54,;-.47,-.77,;-1.8,3.08,;-3.14,3.85,;-3.14,5.39,;-1.8,6.16,;-.47,5.39,;-.47,3.85,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](O)C3)n3[C@H](COc1c23)c1cccnc1 |wU:16.17,wD:20.29,(-.06,-4.16,;1.4,-4.63,;1.88,-6.1,;3.42,-6.1,;3.89,-4.63,;5.36,-4.16,;2.65,-3.73,;2.65,-2.19,;3.98,-1.42,;3.98,.12,;2.65,.89,;2.08,2.33,;.54,2.33,;-.23,3.66,;.4,5.07,;-.74,6.1,;-2.08,5.33,;-3.48,5.95,;-1.76,3.82,;-.02,.89,;-1.36,.12,;-1.36,-1.42,;-.02,-2.19,;1.31,-1.42,;1.31,.12,;-2.69,.89,;-4.02,.12,;-5.36,.89,;-5.36,2.43,;-4.02,3.2,;-2.69,2.43,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC(O)CC3)n3[C@H](COc1c23)c1ccccn1 |wD:21.30,(-.06,-4.94,;1.4,-5.41,;1.88,-6.88,;3.42,-6.88,;3.89,-5.41,;5.36,-4.94,;2.65,-4.51,;2.65,-2.97,;3.98,-2.2,;3.98,-.66,;2.65,.11,;2.08,1.54,;.54,1.54,;-.23,2.88,;-1.77,2.88,;-2.54,4.21,;-1.77,5.55,;-2.54,6.88,;-.23,5.55,;.54,4.21,;-.02,.11,;-1.36,-.66,;-1.36,-2.2,;-.02,-2.97,;1.31,-2.2,;1.31,-.66,;-2.69,.11,;-4.02,-.66,;-5.36,.11,;-5.36,1.65,;-4.02,2.42,;-2.69,1.65,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC[C@@H](O)C3)n3[C@H](COc1c23)c1ccccn1 |wD:17.18,21.30,(-.06,-4.27,;1.4,-4.75,;1.88,-6.21,;3.42,-6.21,;3.89,-4.75,;5.36,-4.27,;2.65,-3.84,;2.65,-2.3,;3.98,-1.53,;3.98,.01,;2.65,.78,;2.08,2.21,;.54,2.21,;-.23,3.55,;.54,4.88,;-.23,6.21,;-1.77,6.21,;-2.54,4.88,;-4.08,4.88,;-1.77,3.55,;-.02,.78,;-1.36,.01,;-1.36,-1.53,;-.02,-2.3,;1.31,-1.53,;1.31,.01,;-2.69,.78,;-4.02,.01,;-5.36,.78,;-5.36,2.32,;-4.02,3.09,;-2.69,2.32,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC[C@H](O)C3)n3[C@H](COc1c23)c1ccccn1 |wU:17.18,wD:21.30,(-.06,-4.27,;1.4,-4.75,;1.88,-6.21,;3.42,-6.21,;3.89,-4.75,;5.36,-4.27,;2.65,-3.84,;2.65,-2.3,;3.98,-1.53,;3.98,.01,;2.65,.78,;2.08,2.21,;.54,2.21,;-.23,3.55,;.54,4.88,;-.23,6.21,;-1.77,6.21,;-2.54,4.88,;-4.08,4.88,;-1.77,3.55,;-.02,.78,;-1.36,.01,;-1.36,-1.53,;-.02,-2.3,;1.31,-1.53,;1.31,.01,;-2.69,.78,;-4.02,.01,;-5.36,.78,;-5.36,2.32,;-4.02,3.09,;-2.69,2.32,)|
CN(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:25.27,(-1.77,7.55,;-2.54,6.21,;-4.08,6.21,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
Cc1noc(C)c1-c1ccc2nc(N3CCNC(=O)C3)n3[C@H](COc1c23)c1ccccn1 |wD:21.30,(-.06,-4.27,;1.4,-4.75,;1.88,-6.21,;3.42,-6.21,;3.89,-4.75,;5.36,-4.27,;2.65,-3.84,;2.65,-2.3,;3.98,-1.53,;3.98,.01,;2.65,.78,;2.08,2.21,;.54,2.21,;-.23,3.55,;.54,4.88,;-.23,6.21,;-1.77,6.21,;-2.54,4.88,;-4.08,4.88,;-1.77,3.55,;-.02,.78,;-1.36,.01,;-1.36,-1.53,;-.02,-2.3,;1.31,-1.53,;1.31,.01,;-2.69,.78,;-4.02,.01,;-5.36,.78,;-5.36,2.32,;-4.02,3.09,;-2.69,2.32,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)S(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1 |wD:24.33,(-.06,-5.61,;1.4,-6.08,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;2.65,-5.18,;2.65,-3.64,;3.98,-2.87,;3.98,-1.33,;2.65,-.56,;2.08,.88,;.54,.88,;-.23,2.21,;-1.77,2.21,;-2.54,3.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-2.54,6.21,;-3.31,7.55,;-1.21,6.98,;-3.87,5.44,;-.02,-.56,;-1.36,-1.33,;-1.36,-2.87,;-.02,-3.64,;1.31,-2.87,;1.31,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,)|
CC(C)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:25.27,(-1.77,7.55,;-2.54,6.21,;-4.08,6.21,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)C#N)n3[C@H](COc1c23)c1ccccn1 |wD:22.31,(-.06,-5.61,;1.4,-6.08,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;2.65,-5.18,;2.65,-3.64,;3.98,-2.87,;3.98,-1.33,;2.65,-.56,;2.08,.88,;.54,.88,;-.23,2.21,;-1.77,2.21,;-2.54,3.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-2.54,6.21,;-3.31,7.55,;-.02,-.56,;-1.36,-1.33,;-1.36,-2.87,;-.02,-3.64,;1.31,-2.87,;1.31,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC(CO)CC3)n3[C@H](COc1c23)c1ccccn1 |wU:22.31,(2.47,-4.57,;1.01,-5.05,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.1,4.74,;2.99,5.99,;4.52,5.86,;5.41,7.11,;4.76,8.51,;5.17,4.46,;4.28,3.2,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN(CCO)CC3)n3[C@H](COc1c23)c1ccccn1 |wD:23.32,(-.06,-5.61,;1.4,-6.08,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;2.65,-5.18,;2.65,-3.64,;3.98,-2.87,;3.98,-1.33,;2.65,-.56,;2.08,.88,;.54,.88,;-.23,2.21,;.54,3.55,;-.23,4.88,;-1.77,4.88,;-2.54,6.21,;-4.08,6.21,;-4.85,7.55,;-2.54,3.55,;-1.77,2.21,;-.02,-.56,;-1.36,-1.33,;-1.36,-2.87,;-.02,-3.64,;1.31,-2.87,;1.31,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)c3ccccc3)n3[C@H](COc1c23)c1ccccn1 |wD:26.36,(-.06,-6.27,;1.4,-6.75,;1.88,-8.21,;3.42,-8.21,;3.89,-6.75,;5.36,-6.27,;2.65,-5.84,;2.65,-4.3,;3.98,-3.53,;3.98,-1.99,;2.65,-1.22,;2.08,.21,;.54,.21,;-.23,1.54,;-1.77,1.54,;-2.54,2.88,;-1.77,4.21,;-.23,4.21,;.54,2.88,;-2.54,5.55,;-4.08,5.55,;-4.85,6.88,;-4.08,8.21,;-2.54,8.21,;-1.77,6.88,;-.02,-1.22,;-1.36,-1.99,;-1.36,-3.53,;-.02,-4.3,;1.31,-3.53,;1.31,-1.99,;-2.69,-1.22,;-4.02,-1.99,;-5.36,-1.22,;-5.36,.32,;-4.02,1.09,;-2.69,.32,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN(Cc4ccccc4)CC3)n3[C@H](COc1c23)c1ccccn1 |wD:27.37,(.84,-5.61,;2.3,-6.08,;2.78,-7.55,;4.32,-7.55,;4.79,-6.08,;6.26,-5.61,;3.55,-5.18,;3.55,-3.64,;4.88,-2.87,;4.88,-1.33,;3.55,-.56,;2.98,.88,;1.44,.88,;.67,2.21,;-.87,2.21,;-1.64,3.55,;-.87,4.88,;-1.64,6.21,;-3.18,6.21,;-3.95,4.88,;-5.49,4.88,;-6.26,6.21,;-5.49,7.55,;-3.95,7.55,;.67,4.88,;1.44,3.55,;.88,-.56,;-.45,-1.33,;-.45,-2.87,;.88,-3.64,;2.21,-2.87,;2.21,-1.33,;-1.79,-.56,;-3.12,-1.33,;-4.45,-.56,;-4.45,.98,;-3.12,1.75,;-1.79,.98,)|
CN(C)[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:3.2,24.26,(-3.65,6.79,;-3.48,5.26,;-4.73,4.35,;-2.08,4.63,;-.74,5.4,;.4,4.37,;-.23,2.97,;-1.76,3.13,;.54,1.63,;2.08,1.63,;2.65,.2,;3.98,-.57,;3.98,-2.11,;2.65,-2.88,;2.65,-4.42,;1.4,-5.33,;-.06,-4.85,;1.88,-6.79,;3.42,-6.79,;3.89,-5.33,;5.36,-4.85,;1.31,-2.11,;-.02,-2.88,;-1.36,-2.11,;-1.36,-.57,;-2.69,.2,;-4.02,-.57,;-5.36,.2,;-5.36,1.74,;-4.02,2.51,;-2.69,1.74,;-.02,.2,;1.31,-.57,)|
CN(C)[C@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wU:3.2,wD:24.26,(-3.65,6.79,;-3.48,5.26,;-4.73,4.35,;-2.08,4.63,;-.74,5.4,;.4,4.37,;-.23,2.97,;-1.76,3.13,;.54,1.63,;2.08,1.63,;2.65,.2,;3.98,-.57,;3.98,-2.11,;2.65,-2.88,;2.65,-4.42,;1.4,-5.33,;-.06,-4.85,;1.88,-6.79,;3.42,-6.79,;3.89,-5.33,;5.36,-4.85,;1.31,-2.11,;-.02,-2.88,;-1.36,-2.11,;-1.36,-.57,;-2.69,.2,;-4.02,-.57,;-5.36,.2,;-5.36,1.74,;-4.02,2.51,;-2.69,1.74,;-.02,.2,;1.31,-.57,)|
CN[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:2.1,23.25,(-4.73,5.05,;-3.48,5.95,;-2.08,5.33,;-.74,6.1,;.4,5.07,;-.23,3.66,;-1.76,3.82,;.54,2.33,;2.08,2.33,;2.65,.89,;3.98,.12,;3.98,-1.42,;2.65,-2.19,;2.65,-3.73,;1.4,-4.63,;-.06,-4.16,;1.88,-6.1,;3.42,-6.1,;3.89,-4.63,;5.36,-4.16,;1.31,-1.42,;-.02,-2.19,;-1.36,-1.42,;-1.36,.12,;-2.69,.89,;-4.02,.12,;-5.36,.89,;-5.36,2.43,;-4.02,3.2,;-2.69,2.43,;-.02,.89,;1.31,.12,)|
CN[C@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wU:2.1,wD:23.25,(-4.73,5.05,;-3.48,5.95,;-2.08,5.33,;-.74,6.1,;.4,5.07,;-.23,3.66,;-1.76,3.82,;.54,2.33,;2.08,2.33,;2.65,.89,;3.98,.12,;3.98,-1.42,;2.65,-2.19,;2.65,-3.73,;1.4,-4.63,;-.06,-4.16,;1.88,-6.1,;3.42,-6.1,;3.89,-4.63,;5.36,-4.16,;1.31,-1.42,;-.02,-2.19,;-1.36,-1.42,;-1.36,.12,;-2.69,.89,;-4.02,.12,;-5.36,.89,;-5.36,2.43,;-4.02,3.2,;-2.69,2.43,;-.02,.89,;1.31,.12,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NC(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |wD:27.36,16.19,(.57,-6.7,;2.03,-7.17,;2.51,-8.64,;4.05,-8.64,;4.52,-7.17,;5.99,-6.7,;3.28,-6.27,;3.28,-4.73,;4.61,-3.96,;4.61,-2.42,;3.28,-1.65,;2.72,-.21,;1.18,-.21,;.41,1.12,;1.03,2.53,;-.11,3.56,;-1.45,2.79,;-1.13,1.28,;-2.85,3.42,;-3.01,4.95,;-1.77,5.85,;-4.42,5.57,;-4.58,7.1,;-5.99,7.73,;-4.74,8.64,;-3.34,8.01,;.61,-1.65,;-.72,-2.42,;-.72,-3.96,;.61,-4.73,;1.94,-3.96,;1.94,-2.42,;-2.06,-1.65,;-3.39,-2.42,;-4.72,-1.65,;-4.72,-.11,;-3.39,.66,;-2.06,-.11,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@@H](C3)NC(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |wU:16.19,wD:27.36,(.57,-6.7,;2.03,-7.17,;2.51,-8.64,;4.05,-8.64,;4.52,-7.17,;5.99,-6.7,;3.28,-6.27,;3.28,-4.73,;4.61,-3.96,;4.61,-2.42,;3.28,-1.65,;2.72,-.21,;1.18,-.21,;.41,1.12,;1.03,2.53,;-.11,3.56,;-1.45,2.79,;-1.13,1.28,;-2.85,3.42,;-3.01,4.95,;-1.77,5.85,;-4.42,5.57,;-4.58,7.1,;-5.99,7.73,;-4.74,8.64,;-3.34,8.01,;.61,-1.65,;-.72,-2.42,;-.72,-3.96,;.61,-4.73,;1.94,-3.96,;1.94,-2.42,;-2.06,-1.65,;-3.39,-2.42,;-4.72,-1.65,;-4.72,-.11,;-3.39,.66,;-2.06,-.11,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN(CC4CC4)CC3)n3[C@H](COc1c23)c1ccccn1 |wD:24.34,(-.04,-5.32,;1.43,-5.8,;1.9,-7.26,;3.44,-7.26,;3.92,-5.8,;5.39,-5.32,;2.67,-4.89,;2.67,-3.35,;4.01,-2.58,;4.01,-1.04,;2.67,-.27,;2.11,1.16,;.57,1.16,;-.2,2.49,;-1.74,2.49,;-2.51,3.83,;-1.74,5.16,;-2.51,6.49,;-4.05,6.49,;-5.39,5.72,;-5.39,7.26,;-.2,5.16,;.57,3.83,;.01,-.27,;-1.33,-1.04,;-1.33,-2.58,;.01,-3.35,;1.34,-2.58,;1.34,-1.04,;-2.66,-.27,;-3.99,-1.04,;-5.33,-.27,;-5.33,1.27,;-3.99,2.04,;-2.66,1.27,)|
COCCN1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.28,(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-2.02,6.21,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.5,-1.33,;4.5,-2.87,;3.16,-3.64,;3.16,-5.18,;1.92,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.5,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.5,-.56,;1.83,-1.33,)|
CN(CCO)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(.54,5.55,;-.23,4.21,;-1.77,4.21,;-2.54,5.55,;-4.08,5.55,;.54,2.88,;2.08,2.88,;2.65,1.44,;3.98,.67,;3.98,-.87,;2.65,-1.64,;2.65,-3.18,;1.4,-4.08,;-.06,-3.61,;1.88,-5.55,;3.42,-5.55,;3.89,-4.08,;5.36,-3.61,;1.31,-.87,;-.02,-1.64,;-1.36,-.87,;-1.36,.67,;-2.69,1.44,;-4.02,.67,;-5.36,1.44,;-5.36,2.98,;-4.02,3.75,;-2.69,2.98,;-.02,1.44,;1.31,.67,)|
CNc1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-1.77,4.88,;-.23,4.88,;.54,3.55,;2.08,3.55,;2.65,2.11,;3.98,1.34,;3.98,-.2,;2.65,-.97,;2.65,-2.51,;1.4,-3.41,;-.06,-2.94,;1.88,-4.88,;3.42,-4.88,;3.89,-3.41,;5.36,-2.94,;1.31,-.2,;-.02,-.97,;-1.36,-.2,;-1.36,1.34,;-2.69,2.11,;-4.02,1.34,;-5.36,2.11,;-5.36,3.65,;-4.02,4.42,;-2.69,3.65,;-.02,2.11,;1.31,1.34,)|
CN(C)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(.54,5.55,;-.23,4.21,;-1.77,4.21,;.54,2.88,;2.08,2.88,;2.65,1.44,;3.98,.67,;3.98,-.87,;2.65,-1.64,;2.65,-3.18,;1.4,-4.08,;-.06,-3.61,;1.88,-5.55,;3.42,-5.55,;3.89,-4.08,;5.36,-3.61,;1.31,-.87,;-.02,-1.64,;-1.36,-.87,;-1.36,.67,;-2.69,1.44,;-4.02,.67,;-5.36,1.44,;-5.36,2.98,;-4.02,3.75,;-2.69,2.98,;-.02,1.44,;1.31,.67,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)C(N)=O)n3[C@H](COc1c23)c1ccccn1 |wD:23.32,(-.06,-5.61,;1.4,-6.08,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;2.65,-5.18,;2.65,-3.64,;3.98,-2.87,;3.98,-1.33,;2.65,-.56,;2.08,.88,;.54,.88,;-.23,2.21,;-1.77,2.21,;-2.54,3.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-2.54,6.21,;-4.08,6.21,;-1.77,7.55,;-.02,-.56,;-1.36,-1.33,;-1.36,-2.87,;-.02,-3.64,;1.31,-2.87,;1.31,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,)|
CNC(=O)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.28,(-4.85,7.55,;-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
CC(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.28,(-4.85,7.55,;-4.08,6.21,;-4.85,4.88,;-2.54,6.21,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN(CC(N)=O)CC3)n3[C@H](COc1c23)c1ccccn1 |wD:24.33,(-.06,-5.61,;1.4,-6.08,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;2.65,-5.18,;2.65,-3.64,;3.98,-2.87,;3.98,-1.33,;2.65,-.56,;2.08,.88,;.54,.88,;-.23,2.21,;.54,3.55,;-.23,4.88,;-1.77,4.88,;-2.54,6.21,;-4.08,6.21,;-4.85,7.55,;-4.85,4.88,;-2.54,3.55,;-1.77,2.21,;-.02,-.56,;-1.36,-1.33,;-1.36,-2.87,;-.02,-3.64,;1.31,-2.87,;1.31,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,)|
CCN1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:24.26,(-4.08,6.88,;-2.54,6.88,;-1.77,5.55,;-2.54,4.21,;-1.77,2.88,;-.23,2.88,;.54,4.21,;-.23,5.55,;.54,1.54,;2.08,1.54,;2.65,.11,;3.98,-.66,;3.98,-2.2,;2.65,-2.97,;2.65,-4.51,;1.4,-5.41,;-.06,-4.94,;1.88,-6.88,;3.42,-6.88,;3.89,-5.41,;5.36,-4.94,;1.31,-2.2,;-.02,-2.97,;-1.36,-2.2,;-1.36,-.66,;-2.69,.11,;-4.02,-.66,;-5.36,.11,;-5.36,1.65,;-4.02,2.42,;-2.69,1.65,;-.02,.11,;1.31,-.66,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN4CCC[C@H]4C3)n3[C@H](COc1c23)c1ccccn1 |wD:23.33,20.21,(-.06,-4.84,;1.4,-5.32,;1.88,-6.78,;3.42,-6.78,;3.89,-5.32,;5.36,-4.84,;2.65,-4.41,;2.65,-2.87,;3.98,-2.1,;3.98,-.56,;2.65,.21,;2.08,1.64,;.54,1.64,;-.23,2.97,;.54,4.31,;-.23,5.64,;-1.77,5.64,;-2.8,6.78,;-4.2,6.16,;-4.04,4.63,;-2.54,4.31,;-1.77,2.97,;-.02,.21,;-1.36,-.56,;-1.36,-2.1,;-.02,-2.87,;1.31,-2.1,;1.31,-.56,;-2.69,.21,;-4.02,-.56,;-5.36,.21,;-5.36,1.75,;-4.02,2.52,;-2.69,1.75,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN4CCC[C@@H]4C3)n3[C@H](COc1c23)c1ccccn1 |wU:20.21,wD:23.33,(-.06,-4.84,;1.4,-5.32,;1.88,-6.78,;3.42,-6.78,;3.89,-5.32,;5.36,-4.84,;2.65,-4.41,;2.65,-2.87,;3.98,-2.1,;3.98,-.56,;2.65,.21,;2.08,1.64,;.54,1.64,;-.23,2.97,;.54,4.31,;-.23,5.64,;-1.77,5.64,;-2.8,6.78,;-4.2,6.16,;-4.04,4.63,;-2.54,4.31,;-1.77,2.97,;-.02,.21,;-1.36,-.56,;-1.36,-2.1,;-.02,-2.87,;1.31,-2.1,;1.31,-.56,;-2.69,.21,;-4.02,-.56,;-5.36,.21,;-5.36,1.75,;-4.02,2.52,;-2.69,1.75,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC(C)(O)CC3)n3[C@H](COc1c23)c1ccccn1 |wD:22.31,(-.06,-5.04,;1.4,-5.52,;1.88,-6.98,;3.42,-6.98,;3.89,-5.52,;5.36,-5.04,;2.65,-4.61,;2.65,-3.07,;3.98,-2.3,;3.98,-.76,;2.65,.01,;2.08,1.44,;.54,1.44,;-.23,2.78,;-1.77,2.78,;-2.54,4.11,;-1.77,5.44,;-1.77,6.98,;-3.1,6.21,;-.23,5.44,;.54,4.11,;-.02,.01,;-1.36,-.76,;-1.36,-2.3,;-.02,-3.07,;1.31,-2.3,;1.31,-.76,;-2.69,.01,;-4.02,-.76,;-5.36,.01,;-5.36,1.55,;-4.02,2.32,;-2.69,1.55,)|
CC1N(CCNC1=O)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:24.26,(2.08,4.21,;.54,4.21,;-.23,2.88,;-1.77,2.88,;-2.54,4.21,;-1.77,5.55,;-.23,5.55,;.54,6.88,;.54,1.54,;2.08,1.54,;2.65,.11,;3.98,-.66,;3.98,-2.2,;2.65,-2.97,;2.65,-4.51,;1.4,-5.41,;-.06,-4.94,;1.88,-6.88,;3.42,-6.88,;3.89,-5.41,;5.36,-4.94,;1.31,-2.2,;-.02,-2.97,;-1.36,-2.2,;-1.36,-.66,;-2.69,.11,;-4.02,-.66,;-5.36,.11,;-5.36,1.65,;-4.02,2.42,;-2.69,1.65,;-.02,.11,;1.31,-.66,)|
Cc1noc(C)c1-c1ccc2nc(N3CC(C3)NC(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |wD:26.35,(.99,-5.88,;2.46,-6.36,;2.93,-7.82,;4.47,-7.82,;4.95,-6.36,;6.42,-5.88,;3.7,-5.45,;3.7,-3.91,;5.04,-3.14,;5.04,-1.6,;3.7,-.83,;3.14,.6,;1.6,.6,;.83,1.94,;-.65,2.33,;-.26,3.82,;1.23,3.42,;-1.03,5.15,;-2.57,5.15,;-3.34,3.82,;-3.34,6.49,;-4.88,6.49,;-5.65,7.82,;-5.65,5.15,;-6.42,6.49,;1.04,-.83,;-.3,-1.6,;-.3,-3.14,;1.04,-3.91,;2.37,-3.14,;2.37,-1.6,;-1.63,-.83,;-2.96,-1.6,;-4.3,-.83,;-4.3,.71,;-2.96,1.48,;-1.63,.71,)|
Cc1noc(C)c1-c1ccc2nc(N3CCCN(CC3)C(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |wD:28.37,(1.21,-5.36,;2.68,-5.84,;3.15,-7.3,;4.69,-7.3,;5.17,-5.84,;6.64,-5.36,;3.92,-4.93,;3.92,-3.39,;5.26,-2.62,;5.26,-1.08,;3.92,-.31,;3.36,1.12,;1.82,1.12,;1.05,2.46,;1.92,3.73,;1.47,5.2,;.03,5.76,;-1.3,4.99,;-1.53,3.47,;-.48,2.34,;-2.63,5.76,;-2.63,7.3,;-3.97,4.99,;-5.3,5.76,;-6.64,6.53,;-5.3,7.3,;-6.64,4.99,;1.26,-.31,;-.08,-1.08,;-.08,-2.62,;1.26,-3.39,;2.59,-2.62,;2.59,-1.08,;-1.41,-.31,;-2.74,-1.08,;-4.08,-.31,;-4.08,1.23,;-2.74,2,;-1.41,1.23,)|
Cc1noc(C)c1-c1ccc2nc(NCCO)n3[C@H](COc1c23)c1ccccn1 |wD:18.26,(-.06,-3.61,;1.4,-4.08,;1.88,-5.55,;3.42,-5.55,;3.89,-4.08,;5.36,-3.61,;2.65,-3.18,;2.65,-1.64,;3.98,-.87,;3.98,.67,;2.65,1.44,;2.08,2.88,;.54,2.88,;-.23,4.21,;-1.77,4.21,;-2.54,5.55,;-4.08,5.55,;-.02,1.44,;-1.36,.67,;-1.36,-.87,;-.02,-1.64,;1.31,-.87,;1.31,.67,;-2.69,1.44,;-4.02,.67,;-5.36,1.44,;-5.36,2.98,;-4.02,3.75,;-2.69,2.98,)|
Cc1noc(C)c1-c1ccc2nc(NCCNC(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |wD:25.33,(1.6,-5.61,;3.07,-6.08,;3.55,-7.55,;5.09,-7.55,;5.56,-6.08,;7.03,-5.61,;4.32,-5.18,;4.32,-3.64,;5.65,-2.87,;5.65,-1.33,;4.32,-.56,;3.75,.88,;2.21,.88,;1.44,2.21,;-.1,2.21,;-.87,3.55,;-2.41,3.55,;-3.18,4.88,;-2.41,6.21,;-4.72,4.88,;-5.49,6.21,;-6.26,7.55,;-4.72,7.55,;-7.03,6.21,;1.65,-.56,;.31,-1.33,;.31,-2.87,;1.65,-3.64,;2.98,-2.87,;2.98,-1.33,;-1.02,-.56,;-2.35,-1.33,;-3.69,-.56,;-3.69,.98,;-2.35,1.75,;-1.02,.98,)|
Cc1noc(C)c1-c1ccc2nc(NCCN)n3[C@H](COc1c23)c1ccccn1 |wD:18.26,(-.06,-3.61,;1.4,-4.08,;1.88,-5.55,;3.42,-5.55,;3.89,-4.08,;5.36,-3.61,;2.65,-3.18,;2.65,-1.64,;3.98,-.87,;3.98,.67,;2.65,1.44,;2.08,2.88,;.54,2.88,;-.23,4.21,;-1.77,4.21,;-2.54,5.55,;-4.08,5.55,;-.02,1.44,;-1.36,.67,;-1.36,-.87,;-.02,-1.64,;1.31,-.87,;1.31,.67,;-2.69,1.44,;-4.02,.67,;-5.36,1.44,;-5.36,2.98,;-4.02,3.75,;-2.69,2.98,)|
CC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:25.27,4.3,(-5.05,6.97,;-3.65,6.34,;-2.4,7.24,;-3.48,4.81,;-2.08,4.18,;-.74,4.95,;.4,3.92,;-.23,2.51,;-1.76,2.67,;.54,1.18,;2.08,1.18,;2.65,-.25,;3.98,-1.02,;3.98,-2.56,;2.65,-3.33,;2.65,-4.87,;1.4,-5.78,;-.06,-5.3,;1.88,-7.24,;3.42,-7.24,;3.89,-5.78,;5.36,-5.3,;1.31,-2.56,;-.02,-3.33,;-1.36,-2.56,;-1.36,-1.02,;-2.69,-.25,;-4.02,-1.02,;-5.36,-.25,;-5.36,1.29,;-4.02,2.06,;-2.69,1.29,;-.02,-.25,;1.31,-1.02,)|
CC(=O)N[C@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wU:4.3,wD:25.27,(-5.05,6.97,;-3.65,6.34,;-2.4,7.24,;-3.48,4.81,;-2.08,4.18,;-.74,4.95,;.4,3.92,;-.23,2.51,;-1.76,2.67,;.54,1.18,;2.08,1.18,;2.65,-.25,;3.98,-1.02,;3.98,-2.56,;2.65,-3.33,;2.65,-4.87,;1.4,-5.78,;-.06,-5.3,;1.88,-7.24,;3.42,-7.24,;3.89,-5.78,;5.36,-5.3,;1.31,-2.56,;-.02,-3.33,;-1.36,-2.56,;-1.36,-1.02,;-2.69,-.25,;-4.02,-1.02,;-5.36,-.25,;-5.36,1.29,;-4.02,2.06,;-2.69,1.29,;-.02,-.25,;1.31,-1.02,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@@H](N)C3)n3[C@H](COc1c23)c1ccccn1 |wD:16.17,20.29,(-1.6,-4.16,;-.14,-4.63,;.34,-6.1,;1.88,-6.1,;2.35,-4.63,;3.82,-4.16,;1.11,-3.73,;1.11,-2.19,;2.44,-1.42,;2.44,.12,;1.11,.89,;.54,2.33,;-1,2.33,;-1.77,3.66,;-1.14,5.07,;-2.28,6.1,;-3.62,5.33,;-5.02,5.95,;-3.3,3.82,;-1.56,.89,;-2.9,.12,;-2.9,-1.42,;-1.56,-2.19,;-.23,-1.42,;-.23,.12,;-4.23,.89,;-5.56,.12,;-6.9,.89,;-6.9,2.43,;-5.56,3.2,;-4.23,2.43,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](N)C3)n3[C@H](COc1c23)c1ccccn1 |wU:16.17,wD:20.29,(-1.6,-4.16,;-.14,-4.63,;.34,-6.1,;1.88,-6.1,;2.35,-4.63,;3.82,-4.16,;1.11,-3.73,;1.11,-2.19,;2.44,-1.42,;2.44,.12,;1.11,.89,;.54,2.33,;-1,2.33,;-1.77,3.66,;-1.14,5.07,;-2.28,6.1,;-3.62,5.33,;-5.02,5.95,;-3.3,3.82,;-1.56,.89,;-2.9,.12,;-2.9,-1.42,;-1.56,-2.19,;-.23,-1.42,;-.23,.12,;-4.23,.89,;-5.56,.12,;-6.9,.89,;-6.9,2.43,;-5.56,3.2,;-4.23,2.43,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NC(=O)C(F)(F)F)n3[C@H](COc1c23)c1ccccn1 |wD:26.35,16.19,(.49,-5.93,;1.95,-6.41,;2.43,-7.87,;3.97,-7.87,;4.44,-6.41,;5.91,-5.93,;3.2,-5.5,;3.2,-3.96,;4.53,-3.19,;4.53,-1.65,;3.2,-.88,;2.64,.55,;1.1,.55,;.33,1.89,;.95,3.29,;-.19,4.32,;-1.53,3.55,;-1.21,2.05,;-2.93,4.18,;-3.09,5.71,;-1.85,6.62,;-4.5,6.34,;-5.91,6.97,;-5.75,5.43,;-4.66,7.87,;.53,-.88,;-.8,-1.65,;-.8,-3.19,;.53,-3.96,;1.86,-3.19,;1.86,-1.65,;-2.14,-.88,;-3.47,-1.65,;-4.8,-.88,;-4.8,.66,;-3.47,1.43,;-2.14,.66,)|
COCC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,6.5,(-5.99,8.18,;-4.58,7.56,;-4.42,6.03,;-3.01,5.4,;-1.77,6.3,;-2.85,3.87,;-1.45,3.24,;-.11,4.01,;1.03,2.98,;.41,1.57,;-1.13,1.73,;1.18,.24,;2.72,.24,;3.28,-1.19,;4.61,-1.96,;4.61,-3.5,;3.28,-4.27,;3.28,-5.81,;2.03,-6.72,;.57,-6.24,;2.51,-8.18,;4.05,-8.18,;4.52,-6.72,;5.99,-6.24,;1.94,-3.5,;.61,-4.27,;-.72,-3.5,;-.72,-1.96,;-2.06,-1.19,;-3.39,-1.96,;-4.72,-1.19,;-4.72,.35,;-3.39,1.12,;-2.06,.35,;.61,-1.19,;1.94,-1.96,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NC(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1 |wD:25.35,16.19,(.55,-5.79,;2.01,-6.26,;2.49,-7.73,;4.03,-7.73,;4.51,-6.26,;5.97,-5.79,;3.26,-5.36,;3.26,-3.82,;4.59,-3.05,;4.59,-1.51,;3.26,-.74,;2.7,.7,;1.16,.7,;.39,2.03,;1.01,3.44,;-.13,4.47,;-1.46,3.7,;-1.14,2.19,;-2.87,4.32,;-3.03,5.86,;-1.79,6.76,;-4.44,6.48,;-5.97,6.32,;-5.34,7.73,;.59,-.74,;-.74,-1.51,;-.74,-3.05,;.59,-3.82,;1.93,-3.05,;1.93,-1.51,;-2.08,-.74,;-3.41,-1.51,;-4.74,-.74,;-4.74,.8,;-3.41,1.57,;-2.08,.8,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NS(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1 |wD:24.33,16.19,(-.06,-5.62,;1.4,-6.09,;1.88,-7.56,;3.42,-7.56,;3.89,-6.09,;5.36,-5.62,;2.65,-5.19,;2.65,-3.65,;3.98,-2.88,;3.98,-1.34,;2.65,-.57,;2.08,.87,;.54,.87,;-.23,2.2,;.4,3.61,;-.74,4.64,;-2.08,3.87,;-1.76,2.36,;-3.48,4.49,;-3.65,6.03,;-3.81,7.56,;-5.18,5.86,;-2.11,6.19,;-.02,-.57,;-1.36,-1.34,;-1.36,-2.88,;-.02,-3.65,;1.31,-2.88,;1.31,-1.34,;-2.69,-.57,;-4.02,-1.34,;-5.36,-.57,;-5.36,.97,;-4.02,1.74,;-2.69,.97,)|
CCC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.28,5.4,(-5.21,7.87,;-5.05,6.34,;-3.65,5.71,;-2.4,6.62,;-3.48,4.18,;-2.08,3.55,;-.74,4.32,;.4,3.29,;-.23,1.89,;-1.76,2.05,;.54,.55,;2.08,.55,;2.65,-.88,;3.98,-1.65,;3.98,-3.19,;2.65,-3.96,;2.65,-5.5,;1.4,-6.41,;-.06,-5.93,;1.88,-7.87,;3.42,-7.87,;3.89,-6.41,;5.36,-5.93,;1.31,-3.19,;-.02,-3.96,;-1.36,-3.19,;-1.36,-1.65,;-2.69,-.88,;-4.02,-1.65,;-5.36,-.88,;-5.36,.66,;-4.02,1.43,;-2.69,.66,;-.02,-.88,;1.31,-1.65,)|
CC(C)C(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,6.5,(-5.83,5.43,;-4.58,6.34,;-4.74,7.87,;-3.17,5.71,;-1.93,6.62,;-3.01,4.18,;-1.61,3.55,;-.27,4.32,;.87,3.29,;.25,1.89,;-1.29,2.05,;1.02,.55,;2.56,.55,;3.12,-.88,;4.45,-1.65,;4.45,-3.19,;3.12,-3.96,;3.12,-5.5,;1.87,-6.41,;.41,-5.93,;2.35,-7.87,;3.89,-7.87,;4.36,-6.41,;5.83,-5.93,;1.78,-3.19,;.45,-3.96,;-.88,-3.19,;-.88,-1.65,;-2.22,-.88,;-3.55,-1.65,;-4.89,-.88,;-4.89,.66,;-3.55,1.43,;-2.22,.66,;.45,-.88,;1.78,-1.65,)|
Cc1oncc1-c1ccc2nc(N3CC[C@H](C3)NC(=O)C3CCC3)n3[C@H](COc1c23)c1ccccn1
Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NC(=O)CC#N)n3[C@H](COc1c23)c1ccccn1 |wD:25.34,16.19,(-.06,-6.7,;1.41,-7.17,;1.88,-8.64,;3.42,-8.64,;3.9,-7.17,;5.37,-6.7,;2.65,-6.27,;2.65,-4.73,;3.99,-3.96,;3.99,-2.42,;2.65,-1.65,;2.09,-.21,;.55,-.21,;-.22,1.12,;.41,2.53,;-.73,3.56,;-2.07,2.79,;-1.75,1.28,;-3.48,3.42,;-3.64,4.95,;-2.39,5.85,;-5.04,5.57,;-5.2,7.1,;-5.37,8.64,;-.01,-1.65,;-1.35,-2.42,;-1.35,-3.96,;-.01,-4.73,;1.32,-3.96,;1.32,-2.42,;-2.68,-1.65,;-4.01,-2.42,;-5.35,-1.65,;-5.35,-.11,;-4.01,.66,;-2.68,-.11,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NC(=O)C3CCOCC3)n3[C@H](COc1c23)c1ccccn1 |wD:28.38,16.19,(1.19,-6.24,;2.65,-6.72,;3.13,-8.18,;4.67,-8.18,;5.15,-6.72,;6.61,-6.24,;3.9,-5.81,;3.9,-4.27,;5.23,-3.5,;5.23,-1.96,;3.9,-1.19,;3.34,.24,;1.8,.24,;1.03,1.57,;1.66,2.98,;.51,4.01,;-.82,3.24,;-.5,1.73,;-2.23,3.87,;-2.39,5.4,;-1.14,6.3,;-3.8,6.03,;-3.96,7.56,;-5.37,8.18,;-6.61,7.28,;-6.45,5.75,;-5.04,5.12,;1.23,-1.19,;-.1,-1.96,;-.1,-3.5,;1.23,-4.27,;2.57,-3.5,;2.57,-1.96,;-1.43,-1.19,;-2.77,-1.96,;-4.1,-1.19,;-4.1,.35,;-2.77,1.12,;-1.43,.35,)|
CCS(=O)(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,6.5,(-5.21,7.87,;-3.81,7.24,;-3.65,5.71,;-5.18,5.55,;-2.11,5.87,;-3.48,4.18,;-2.08,3.55,;-.74,4.32,;.4,3.29,;-.23,1.89,;-1.76,2.05,;.54,.55,;2.08,.55,;2.65,-.88,;3.98,-1.65,;3.98,-3.19,;2.65,-3.96,;2.65,-5.5,;1.4,-6.41,;-.06,-5.93,;1.88,-7.87,;3.42,-7.87,;3.89,-6.41,;5.36,-5.93,;1.31,-3.19,;-.02,-3.96,;-1.36,-3.19,;-1.36,-1.65,;-2.69,-.88,;-4.02,-1.65,;-5.36,-.88,;-5.36,.66,;-4.02,1.43,;-2.69,.66,;-.02,-.88,;1.31,-1.65,)|
CCCS(=O)(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3cnoc3C)c3OC[C@H](c4ccccn4)n1c23
CN(C)C(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,6.5,(-5.83,5.43,;-4.58,6.34,;-4.74,7.87,;-3.17,5.71,;-1.93,6.62,;-3.01,4.18,;-1.61,3.55,;-.27,4.32,;.87,3.29,;.25,1.89,;-1.29,2.05,;1.02,.55,;2.56,.55,;3.12,-.88,;4.45,-1.65,;4.45,-3.19,;3.12,-3.96,;3.12,-5.5,;1.87,-6.41,;.41,-5.93,;2.35,-7.87,;3.89,-7.87,;4.36,-6.41,;5.83,-5.93,;1.78,-3.19,;.45,-3.96,;-.88,-3.19,;-.88,-1.65,;-2.22,-.88,;-3.55,-1.65,;-4.89,-.88,;-4.89,.66,;-3.55,1.43,;-2.22,.66,;.45,-.88,;1.78,-1.65,)|
CC(C)S(=O)(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:28.30,7.6,(-2.56,8.01,;-3.81,7.1,;-5.21,7.73,;-3.65,5.57,;-5.18,5.41,;-2.11,5.73,;-3.48,4.04,;-2.08,3.42,;-.74,4.19,;.4,3.15,;-.23,1.75,;-1.76,1.91,;.54,.41,;2.08,.41,;2.65,-1.02,;3.98,-1.79,;3.98,-3.33,;2.65,-4.1,;2.65,-5.64,;1.4,-6.55,;-.06,-6.07,;1.88,-8.01,;3.42,-8.01,;3.89,-6.55,;5.36,-6.07,;1.31,-3.33,;-.02,-4.1,;-1.36,-3.33,;-1.36,-1.79,;-2.69,-1.02,;-4.02,-1.79,;-5.36,-1.02,;-5.36,.52,;-4.02,1.29,;-2.69,.52,;-.02,-1.02,;1.31,-1.79,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NS(=O)(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1 |wD:26.36,16.19,(-.06,-6.32,;1.4,-6.8,;1.88,-8.26,;3.42,-8.26,;3.89,-6.8,;5.36,-6.32,;2.65,-5.89,;2.65,-4.35,;3.98,-3.58,;3.98,-2.04,;2.65,-1.27,;2.08,.16,;.54,.16,;-.23,1.5,;.4,2.9,;-.74,3.93,;-2.08,3.16,;-1.76,1.66,;-3.48,3.79,;-3.65,5.32,;-5.18,5.16,;-2.11,5.48,;-3.81,6.85,;-4.71,8.1,;-3.18,8.26,;-.02,-1.27,;-1.36,-2.04,;-1.36,-3.58,;-.02,-4.35,;1.31,-3.58,;1.31,-2.04,;-2.69,-1.27,;-4.02,-2.04,;-5.36,-1.27,;-5.36,.27,;-4.02,1.04,;-2.69,.27,)|
COC(=O)NC[C@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wU:27.29,6.5,(6.06,11.92,;6.09,10.38,;4.76,9.59,;3.42,10.34,;4.79,8.05,;3.46,7.26,;3.48,5.72,;4.74,4.83,;4.29,3.36,;2.75,3.34,;2.25,4.8,;1.86,2.08,;.32,2.08,;-.24,.48,;-1.57,-.29,;-1.57,-1.83,;-.24,-2.6,;-.24,-4.14,;1.01,-5.05,;2.47,-4.57,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;1.09,-1.83,;2.43,-2.6,;3.76,-1.83,;3.76,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,;2.43,.48,;1.09,-.29,)|
CN([C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)S(C)(=O)=O |wD:23.25,2.1,(-4.73,3.59,;-3.48,4.49,;-2.08,3.87,;-.74,4.64,;.4,3.61,;-.23,2.2,;-1.76,2.36,;.54,.87,;2.08,.87,;2.65,-.57,;3.98,-1.34,;3.98,-2.88,;2.65,-3.65,;2.65,-5.19,;1.4,-6.09,;-.06,-5.62,;1.88,-7.56,;3.42,-7.56,;3.89,-6.09,;5.36,-5.62,;1.31,-2.88,;-.02,-3.65,;-1.36,-2.88,;-1.36,-1.34,;-2.69,-.57,;-4.02,-1.34,;-5.36,-.57,;-5.36,.97,;-4.02,1.74,;-2.69,.97,;-.02,-.57,;1.31,-1.34,;-3.65,6.03,;-3.81,7.56,;-5.18,5.86,;-2.11,6.19,)|
COCC(=O)N(C)[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:28.30,7.6,(-5.99,8.18,;-4.58,7.56,;-4.42,6.03,;-3.01,5.4,;-1.77,6.3,;-2.85,3.87,;-4.1,2.96,;-1.45,3.24,;-.11,4.01,;1.03,2.98,;.41,1.57,;-1.13,1.73,;1.18,.24,;2.72,.24,;3.28,-1.19,;4.61,-1.96,;4.61,-3.5,;3.28,-4.27,;3.28,-5.81,;2.03,-6.72,;.57,-6.24,;2.51,-8.18,;4.05,-8.18,;4.52,-6.72,;5.99,-6.24,;1.94,-3.5,;.61,-4.27,;-.72,-3.5,;-.72,-1.96,;-2.06,-1.19,;-3.39,-1.96,;-4.72,-1.19,;-4.72,.35,;-3.39,1.12,;-2.06,.35,;.61,-1.19,;1.94,-1.96,)|
CN([C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O |wD:23.25,2.1,(-4.73,3.9,;-3.48,4.81,;-2.08,4.18,;-.74,4.95,;.4,3.92,;-.23,2.51,;-1.76,2.67,;.54,1.18,;2.08,1.18,;2.65,-.25,;3.98,-1.02,;3.98,-2.56,;2.65,-3.33,;2.65,-4.87,;1.4,-5.78,;-.06,-5.3,;1.88,-7.24,;3.42,-7.24,;3.89,-5.78,;5.36,-5.3,;1.31,-2.56,;-.02,-3.33,;-1.36,-2.56,;-1.36,-1.02,;-2.69,-.25,;-4.02,-1.02,;-5.36,-.25,;-5.36,1.29,;-4.02,2.06,;-2.69,1.29,;-.02,-.25,;1.31,-1.02,;-3.65,6.34,;-5.05,6.97,;-2.4,7.24,)|
CC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:25.27,(-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
CCC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.28,(-4.85,7.55,;-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
CCS(=O)(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,(-4.85,7.55,;-3.31,7.55,;-2.54,6.21,;-1.21,6.98,;-3.87,5.44,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN(CC(=O)N4CCCC4)CC3)n3[C@H](COc1c23)c1ccccn1 |wD:28.38,(.61,-6.82,;2.07,-7.3,;2.55,-8.76,;4.09,-8.76,;4.56,-7.3,;6.03,-6.82,;3.32,-6.4,;3.32,-4.86,;4.65,-4.09,;4.65,-2.55,;3.32,-1.78,;2.75,-.34,;1.21,-.34,;.44,.99,;-1.1,.99,;-1.87,2.33,;-1.1,3.66,;-1.87,4.99,;-3.41,4.99,;-4.18,3.66,;-4.18,6.33,;-5.71,6.49,;-6.03,7.99,;-4.7,8.76,;-3.55,7.73,;.44,3.66,;1.21,2.33,;.65,-1.78,;-.68,-2.55,;-.68,-4.09,;.65,-4.86,;1.99,-4.09,;1.99,-2.55,;-2.02,-1.78,;-3.35,-2.55,;-4.68,-1.78,;-4.68,-.24,;-3.35,.53,;-2.02,-.24,)|
Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)S(N)(=O)=O)n3[C@H](COc1c23)c1ccccn1 |wD:24.33,(-.06,-5.61,;1.4,-6.08,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;2.65,-5.18,;2.65,-3.64,;3.98,-2.87,;3.98,-1.33,;2.65,-.56,;2.08,.88,;.54,.88,;-.23,2.21,;.54,3.55,;-.23,4.88,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-2.54,6.21,;-3.31,7.55,;-1.2,6.98,;-3.87,5.44,;-.02,-.56,;-1.36,-1.33,;-1.36,-2.87,;-.02,-3.64,;1.31,-2.87,;1.31,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,)|
Cc1noc(C)c1-c1ccc2nc(N3CC(N)C3)n3[C@H](COc1c23)c1ccccn1 |wD:19.28,(-1.6,-4.55,;-.14,-5.02,;.34,-6.49,;1.88,-6.49,;2.35,-5.02,;3.82,-4.55,;1.11,-4.12,;1.11,-2.58,;2.44,-1.81,;2.44,-.27,;1.11,.5,;.54,1.94,;-1,1.94,;-1.77,3.27,;-3.25,3.67,;-2.85,5.15,;-3.62,6.49,;-1.37,4.76,;-1.56,.5,;-2.9,-.27,;-2.9,-1.81,;-1.56,-2.58,;-.23,-1.81,;-.23,-.27,;-4.23,.5,;-5.56,-.27,;-6.9,.5,;-6.9,2.04,;-5.56,2.81,;-4.23,2.04,)|
CC(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:24.26,(-4.39,7.16,;-3.62,5.82,;-4.39,4.49,;-2.08,5.82,;-1.31,4.49,;-1.71,3,;-.23,2.6,;.17,4.09,;.54,1.27,;2.08,1.27,;2.65,-.17,;3.98,-.94,;3.98,-2.48,;2.65,-3.25,;2.65,-4.79,;1.4,-5.69,;-.06,-5.22,;1.88,-7.16,;3.42,-7.16,;3.89,-5.69,;5.36,-5.22,;1.31,-2.48,;-.02,-3.25,;-1.36,-2.48,;-1.36,-.94,;-2.69,-.17,;-4.02,-.94,;-5.36,-.17,;-5.36,1.37,;-4.02,2.14,;-2.69,1.37,;-.02,-.17,;1.31,-.94,)|
CCC(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:25.27,(-5.65,7.16,;-4.11,7.16,;-3.34,5.82,;-4.11,4.49,;-1.8,5.82,;-1.03,4.49,;-1.42,3,;.06,2.6,;.46,4.09,;.83,1.27,;2.37,1.27,;2.93,-.17,;4.27,-.94,;4.27,-2.48,;2.93,-3.25,;2.93,-4.79,;1.69,-5.69,;.22,-5.22,;2.16,-7.16,;3.7,-7.16,;4.18,-5.69,;5.65,-5.22,;1.6,-2.48,;.27,-3.25,;-1.07,-2.48,;-1.07,-.94,;-2.4,-.17,;-3.73,-.94,;-5.07,-.17,;-5.07,1.37,;-3.73,2.14,;-2.4,1.37,;.27,-.17,;1.6,-.94,)|
CC(C)C(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.28,(-3.34,7.82,;-4.11,6.49,;-5.65,6.49,;-3.34,5.15,;-4.11,3.82,;-1.8,5.15,;-1.03,3.82,;-1.42,2.33,;.06,1.94,;.46,3.42,;.83,.6,;2.37,.6,;2.93,-.83,;4.27,-1.6,;4.27,-3.14,;2.93,-3.91,;2.93,-5.45,;1.69,-6.36,;.22,-5.88,;2.16,-7.82,;3.7,-7.82,;4.18,-6.36,;5.65,-5.88,;1.6,-3.14,;.27,-3.91,;-1.07,-3.14,;-1.07,-1.6,;-2.4,-.83,;-3.73,-1.6,;-5.07,-.83,;-5.07,.71,;-3.73,1.48,;-2.4,.71,;.27,-.83,;1.6,-1.6,)|
COCC(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.28,(-6.03,7.82,;-5.26,6.49,;-3.72,6.49,;-2.95,5.15,;-3.72,3.82,;-1.41,5.15,;-.64,3.82,;-1.04,2.33,;.45,1.94,;.85,3.42,;1.22,.6,;2.76,.6,;3.32,-.83,;4.65,-1.6,;4.65,-3.14,;3.32,-3.91,;3.32,-5.45,;2.07,-6.36,;.61,-5.88,;2.55,-7.82,;4.09,-7.82,;4.57,-6.36,;6.03,-5.88,;1.99,-3.14,;.65,-3.91,;-.68,-3.14,;-.68,-1.6,;-2.01,-.83,;-3.35,-1.6,;-4.68,-.83,;-4.68,.71,;-3.35,1.48,;-2.01,.71,;.65,-.83,;1.99,-1.6,)|
Cc1noc(C)c1-c1ccc2nc(N3CC(C3)NC(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1 |wD:24.34,(.12,-5.99,;1.59,-6.46,;2.06,-7.93,;3.6,-7.93,;4.08,-6.46,;5.54,-5.99,;2.83,-5.56,;2.83,-4.02,;4.17,-3.25,;4.17,-1.71,;2.83,-.94,;2.27,.5,;.73,.5,;-.04,1.83,;-1.53,2.23,;-1.13,3.72,;.36,3.32,;-1.9,5.05,;-3.44,5.05,;-4.21,3.72,;-4.21,6.39,;-5.54,7.16,;-4.21,7.93,;.16,-.94,;-1.17,-1.71,;-1.17,-3.25,;.16,-4.02,;1.5,-3.25,;1.5,-1.71,;-2.5,-.94,;-3.84,-1.71,;-5.17,-.94,;-5.17,.6,;-3.84,1.37,;-2.5,.6,)|
Cc1noc(C)c1-c1ccc2nc(N3CC(C3)NC(=O)C3CCC3)n3[C@H](COc1c23)c1ccccn1 |wD:25.35,(.2,-6.16,;1.66,-6.63,;2.14,-8.1,;3.68,-8.1,;4.15,-6.63,;5.62,-6.16,;2.91,-5.73,;2.91,-4.19,;4.24,-3.42,;4.24,-1.88,;2.91,-1.11,;2.35,.33,;.81,.33,;.04,1.66,;-1.45,2.06,;-1.05,3.55,;.44,3.15,;-1.82,4.88,;-3.36,4.88,;-4.13,3.55,;-4.13,6.21,;-5.62,6.61,;-5.22,8.1,;-3.73,7.7,;.24,-1.11,;-1.09,-1.88,;-1.09,-3.42,;.24,-4.19,;1.57,-3.42,;1.57,-1.88,;-2.43,-1.11,;-3.76,-1.88,;-5.09,-1.11,;-5.09,.43,;-3.76,1.2,;-2.43,.43,)|
Cc1noc(C)c1-c1ccc2nc(N3CC(C3)NS(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1 |wD:23.32,(-.06,-5.32,;1.4,-5.79,;1.88,-7.26,;3.42,-7.26,;3.89,-5.79,;5.36,-5.32,;2.65,-4.89,;2.65,-3.35,;3.98,-2.58,;3.98,-1.04,;2.65,-.27,;2.08,1.17,;.54,1.17,;-.23,2.5,;-1.71,2.9,;-1.31,4.38,;.17,3.99,;-2.08,5.72,;-3.62,5.72,;-5.16,5.72,;-3.62,7.26,;-3.62,4.18,;-.02,-.27,;-1.36,-1.04,;-1.36,-2.58,;-.02,-3.35,;1.31,-2.58,;1.31,-1.04,;-2.69,-.27,;-4.02,-1.04,;-5.36,-.27,;-5.36,1.27,;-4.02,2.04,;-2.69,1.27,)|
CCS(=O)(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.28,(-5.65,7.05,;-4.88,5.72,;-3.34,5.72,;-3.34,7.26,;-3.34,4.18,;-1.8,5.72,;-1.03,4.38,;-1.42,2.9,;.06,2.5,;.46,3.99,;.83,1.17,;2.37,1.17,;2.93,-.27,;4.27,-1.04,;4.27,-2.58,;2.93,-3.35,;2.93,-4.89,;1.69,-5.79,;.22,-5.32,;2.16,-7.26,;3.7,-7.26,;4.18,-5.79,;5.65,-5.32,;1.6,-2.58,;.27,-3.35,;-1.07,-2.58,;-1.07,-1.04,;-2.4,-.27,;-3.73,-1.04,;-5.07,-.27,;-5.07,1.27,;-3.73,2.04,;-2.4,1.27,;.27,-.27,;1.6,-1.04,)|
CC(C)S(=O)(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,(-5.65,4.38,;-4.88,5.72,;-5.65,7.05,;-3.34,5.72,;-3.34,7.26,;-3.34,4.18,;-1.8,5.72,;-1.03,4.38,;-1.42,2.9,;.06,2.5,;.46,3.99,;.83,1.17,;2.37,1.17,;2.93,-.27,;4.27,-1.04,;4.27,-2.58,;2.93,-3.35,;2.93,-4.89,;1.69,-5.79,;.22,-5.32,;2.16,-7.26,;3.7,-7.26,;4.18,-5.79,;5.65,-5.32,;1.6,-2.58,;.27,-3.35,;-1.07,-2.58,;-1.07,-1.04,;-2.4,-.27,;-3.73,-1.04,;-5.07,-.27,;-5.07,1.27,;-3.73,2.04,;-2.4,1.27,;.27,-.27,;1.6,-1.04,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NS(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1 |wD:25.34,(.06,-5.71,;1.53,-6.18,;2.01,-7.65,;3.55,-7.65,;4.02,-6.18,;5.49,-5.71,;2.78,-5.28,;2.78,-3.74,;4.11,-2.97,;4.11,-1.43,;2.78,-.66,;2.21,.77,;.67,.77,;-.1,2.11,;-1.64,2.11,;-2.41,3.44,;-1.64,4.78,;-.1,4.78,;.67,3.44,;-2.41,6.11,;-3.95,6.11,;-5.49,6.11,;-3.95,7.65,;-3.95,4.57,;.11,-.66,;-1.23,-1.43,;-1.23,-2.97,;.11,-3.74,;1.44,-2.97,;1.44,-1.43,;-2.56,-.66,;-3.89,-1.43,;-5.23,-.66,;-5.23,.88,;-3.89,1.65,;-2.56,.88,)|
COCC(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:28.30,(-6.26,8.21,;-5.49,6.88,;-3.95,6.88,;-3.18,5.55,;-3.95,4.21,;-1.64,5.55,;-.87,4.21,;-1.64,2.88,;-.87,1.54,;.67,1.54,;1.44,2.88,;.67,4.21,;1.44,.21,;2.98,.21,;3.55,-1.22,;4.88,-1.99,;4.88,-3.53,;3.55,-4.3,;3.55,-5.84,;2.3,-6.75,;.83,-6.27,;2.78,-8.21,;4.32,-8.21,;4.79,-6.75,;6.26,-6.27,;2.21,-3.53,;.88,-4.3,;-.46,-3.53,;-.46,-1.99,;-1.79,-1.22,;-3.12,-1.99,;-4.46,-1.22,;-4.46,.32,;-3.12,1.09,;-1.79,.32,;.88,-1.22,;2.21,-1.99,)|
Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C(F)(F)F)n3[C@H](COc1c23)c1ccccn1 |wD:27.36,(.45,-6.27,;1.91,-6.75,;2.39,-8.21,;3.93,-8.21,;4.41,-6.75,;5.87,-6.27,;3.16,-5.84,;3.16,-4.3,;4.49,-3.53,;4.49,-1.99,;3.16,-1.22,;2.6,.21,;1.06,.21,;.29,1.54,;-1.25,1.54,;-2.02,2.88,;-1.25,4.21,;.29,4.21,;1.06,2.88,;-2.02,5.55,;-3.56,5.55,;-4.33,4.21,;-4.33,6.88,;-3.56,8.21,;-5.1,8.21,;-5.87,6.88,;.49,-1.22,;-.84,-1.99,;-.84,-3.53,;.49,-4.3,;1.83,-3.53,;1.83,-1.99,;-2.17,-1.22,;-3.51,-1.99,;-4.84,-1.22,;-4.84,.32,;-3.51,1.09,;-2.17,.32,)|
CCC(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-4.33,4.88,;-2.02,6.21,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.49,-1.33,;4.49,-2.87,;3.16,-3.64,;3.16,-5.18,;1.91,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.49,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.49,-.56,;1.83,-1.33,)|
CCC(=O)N1CCCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,(-5.97,5.76,;-4.64,4.99,;-3.3,5.76,;-3.3,7.3,;-1.97,4.99,;-.64,5.76,;.8,5.2,;1.25,3.73,;.38,2.46,;-1.15,2.34,;-2.2,3.47,;1.15,1.12,;2.69,1.12,;3.26,-.31,;4.59,-1.08,;4.59,-2.62,;3.26,-3.39,;3.26,-4.93,;2.01,-5.84,;.55,-5.36,;2.49,-7.3,;4.03,-7.3,;4.51,-5.84,;5.97,-5.36,;1.93,-2.62,;.59,-3.39,;-.74,-2.62,;-.74,-1.08,;-2.07,-.31,;-3.41,-1.08,;-4.74,-.31,;-4.74,1.23,;-3.41,2,;-2.07,1.23,;.59,-.31,;1.93,-1.08,)|
CCS(=O)(=O)N1CCCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:28.30,(-5.97,5.87,;-4.64,6.64,;-3.3,5.87,;-2.53,7.2,;-4.07,4.53,;-1.97,5.1,;-.64,5.87,;.8,5.3,;1.25,3.83,;.38,2.56,;-1.15,2.44,;-2.2,3.57,;1.15,1.22,;2.69,1.22,;3.26,-.21,;4.59,-.98,;4.59,-2.52,;3.26,-3.29,;3.26,-4.83,;2.01,-5.73,;.55,-5.26,;2.49,-7.2,;4.03,-7.2,;4.51,-5.73,;5.97,-5.26,;1.93,-2.52,;.59,-3.29,;-.74,-2.52,;-.74,-.98,;-2.07,-.21,;-3.41,-.98,;-4.74,-.21,;-4.74,1.33,;-3.41,2.1,;-2.07,1.33,;.59,-.21,;1.93,-.98,)|
CNC(=O)[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:4.3,25.27,(-5.75,4.98,;-4.34,4.35,;-3.09,5.26,;-3.25,6.79,;-1.69,4.63,;-.35,5.4,;.79,4.37,;.16,2.97,;-1.37,3.13,;.93,1.63,;2.47,1.63,;3.04,.2,;4.37,-.57,;4.37,-2.11,;3.04,-2.88,;3.04,-4.42,;1.79,-5.33,;.33,-4.85,;2.27,-6.79,;3.81,-6.79,;4.28,-5.33,;5.75,-4.85,;1.7,-2.11,;.37,-2.88,;-.97,-2.11,;-.97,-.57,;-2.3,.2,;-3.63,-.57,;-4.97,.2,;-4.97,1.74,;-3.63,2.51,;-2.3,1.74,;.37,.2,;1.7,-.57,)|
CCNC(=O)[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:5.4,26.28,(-6.37,4.08,;-5.12,4.98,;-3.72,4.35,;-2.47,5.26,;-2.63,6.79,;-1.06,4.63,;.27,5.4,;1.41,4.37,;.79,2.97,;-.74,3.13,;1.56,1.63,;3.1,1.63,;3.66,.2,;4.99,-.57,;4.99,-2.11,;3.66,-2.88,;3.66,-4.42,;2.41,-5.33,;.95,-4.85,;2.89,-6.79,;4.43,-6.79,;4.9,-5.33,;6.37,-4.85,;2.33,-2.11,;.99,-2.88,;-.34,-2.11,;-.34,-.57,;-1.68,.2,;-3.01,-.57,;-4.34,.2,;-4.34,1.74,;-3.01,2.51,;-1.68,1.74,;.99,.2,;2.33,-.57,)|
Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)C(=O)NC3CC3)n3[C@H](COc1c23)c1ccccn1 |wD:16.19,25.35,(1.09,-4.85,;2.56,-5.33,;3.03,-6.79,;4.57,-6.79,;5.05,-5.33,;6.51,-4.85,;3.8,-4.42,;3.8,-2.88,;5.14,-2.11,;5.14,-.57,;3.8,.2,;3.24,1.63,;1.7,1.63,;.93,2.97,;1.56,4.37,;.41,5.4,;-.92,4.63,;-.6,3.13,;-2.33,5.26,;-2.49,6.79,;-3.57,4.35,;-4.98,4.98,;-6.51,4.82,;-5.89,6.23,;1.13,.2,;-.2,-.57,;-.2,-2.11,;1.13,-2.88,;2.47,-2.11,;2.47,-.57,;-1.53,.2,;-2.87,-.57,;-4.2,.2,;-4.2,1.74,;-2.87,2.51,;-1.53,1.74,)|
Cc1noc(C)c1-c1c(Cl)c(Cl)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |r,wD:17.25,(-.19,-6.27,;-1.52,-5.5,;-2.98,-5.98,;-3.89,-4.73,;-2.98,-3.49,;-3.75,-2.15,;-1.52,-3.96,;-.19,-3.19,;1.28,-3.67,;1.6,-5.18,;2.42,-2.64,;3.89,-3.11,;2.1,-1.13,;3.01,.11,;2.1,1.36,;2.87,2.69,;.64,.88,;-.69,1.65,;-2.03,.88,;-2.03,-.66,;-.51,-1.69,;.64,-.66,;-.69,3.19,;-2.03,3.96,;-2.03,5.5,;-.69,6.27,;.64,5.5,;.64,3.96,)|
CC(C)NCc1cc(-c2c(C)noc2C)c2OCC(c3ccccn3)n3c2c1[nH]c3=O |(4.52,-5.39,;4.52,-3.85,;5.85,-3.08,;3.19,-3.08,;1.85,-3.85,;.52,-3.08,;-.82,-3.85,;-2.15,-3.08,;-3.48,-3.85,;-3.48,-5.39,;-2.15,-6.16,;-4.95,-5.87,;-5.85,-4.62,;-4.95,-3.37,;-5.72,-2.04,;-2.15,-1.54,;-3.48,-.77,;-3.48,.77,;-2.15,1.54,;-2.15,3.08,;-.82,3.85,;-.82,5.39,;-2.15,6.16,;-3.48,5.39,;-3.48,3.85,;-.82,.77,;-.82,-.77,;.52,-1.54,;1.85,-.77,;1.04,.87,;1.81,2.21,)|
Cc1noc(C)c1-c1cc(CO)c2[nH]c(=O)n3C(COc1c23)c1ccccn1 |(-.15,-6.16,;-1.48,-5.39,;-2.95,-5.87,;-3.85,-4.62,;-2.95,-3.37,;-3.72,-2.04,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;3.85,-3.85,;3.85,-5.39,;2.52,-1.54,;3.85,-.77,;3.04,.87,;3.81,2.21,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
Cc1noc(C)c1-c1ccc2[nH]c(=S)n3C(COc1c23)c1ccccn1 |(.22,-6,;-1.12,-5.23,;-2.58,-5.71,;-3.49,-4.46,;-2.58,-3.22,;-3.35,-1.88,;-1.12,-3.69,;.22,-2.92,;1.71,-3.32,;2.79,-2.23,;2.4,-.74,;3.49,.34,;2.34,1.71,;3.11,3.05,;.51,1.14,;-.98,1.54,;-2.07,.45,;-1.67,-1.04,;-.18,-1.44,;.91,-.35,;-1.38,3.03,;-.29,4.12,;-.69,5.6,;-2.17,6,;-3.26,4.91,;-2.86,3.43,)|
Cc1noc(C)c1-c1cc(-c2cn[nH]c2)c2[nH]c(=O)n3C(COc1c23)c1ccccn1 |(-1.26,-2.94,;.2,-3.41,;.68,-4.88,;2.22,-4.88,;2.69,-3.41,;4.16,-2.94,;1.45,-2.51,;1.45,-.97,;2.78,-.2,;2.78,1.34,;4.12,2.11,;5.52,1.48,;6.55,2.63,;5.78,3.96,;4.28,3.64,;1.45,2.11,;.88,3.55,;-.66,3.55,;-1.43,4.88,;-1.22,2.11,;-2.55,1.34,;-2.55,-.2,;-1.22,-.97,;.11,-.2,;.11,1.34,;-3.89,2.11,;-5.22,1.34,;-6.55,2.11,;-6.55,3.65,;-5.22,4.42,;-3.89,3.65,)|
Cc1n[nH]cc1-c1cc(-c2c(C)noc2C)c2OCC(c3ccccn3)n3c2c1[nH]c3=O |(3.13,4.67,;4.28,3.64,;5.78,3.96,;6.55,2.63,;5.52,1.48,;4.12,2.11,;2.78,1.34,;2.78,-.2,;1.45,-.97,;1.45,-2.51,;.2,-3.41,;-1.26,-2.94,;.68,-4.88,;2.22,-4.88,;2.69,-3.41,;4.16,-2.94,;.11,-.2,;-1.22,-.97,;-2.55,-.2,;-2.55,1.34,;-3.89,2.11,;-5.22,1.34,;-6.55,2.11,;-6.55,3.65,;-5.22,4.42,;-3.89,3.65,;-1.22,2.11,;.11,1.34,;1.45,2.11,;.88,3.55,;-.66,3.55,;-1.43,4.88,)|
Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)c2OCC(c3ccccn3)n3c2c1[nH]c3=O |(5.84,-.02,;5.52,1.48,;6.55,2.63,;5.78,3.96,;4.28,3.64,;3.13,4.67,;4.12,2.11,;2.78,1.34,;2.78,-.2,;1.45,-.97,;1.45,-2.51,;.2,-3.41,;-1.26,-2.94,;.68,-4.88,;2.22,-4.88,;2.69,-3.41,;4.16,-2.94,;.11,-.2,;-1.22,-.97,;-2.55,-.2,;-2.55,1.34,;-3.89,2.11,;-5.22,1.34,;-6.55,2.11,;-6.55,3.65,;-5.22,4.42,;-3.89,3.65,;-1.22,2.11,;.11,1.34,;1.45,2.11,;.88,3.55,;-.66,3.55,;-1.43,4.88,)|
Cc1noc(C)c1-c1cc(-c2ccc(O)nc2)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |wD:22.31,(-2.04,-2.94,;-.58,-3.41,;-.1,-4.88,;1.44,-4.88,;1.91,-3.41,;3.38,-2.94,;.67,-2.51,;.67,-.97,;2,-.2,;2,1.34,;3.33,2.11,;3.33,3.65,;4.67,4.42,;6,3.65,;7.34,4.42,;6,2.11,;4.67,1.34,;.67,2.11,;.1,3.55,;-1.44,3.55,;-2.21,4.88,;-2,2.11,;-3.33,1.34,;-3.33,-.2,;-2,-.97,;-.67,-.2,;-.67,1.34,;-4.67,2.11,;-6,1.34,;-7.34,2.11,;-7.34,3.65,;-6,4.42,;-4.67,3.65,)|
Cc1noc(C)c1-c1cc(-c2ccnc(O)c2)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |wD:22.31,(-2.04,-2.94,;-.58,-3.41,;-.1,-4.88,;1.44,-4.88,;1.91,-3.41,;3.38,-2.94,;.67,-2.51,;.67,-.97,;2,-.2,;2,1.34,;3.33,2.11,;3.33,3.65,;4.67,4.42,;6,3.65,;6,2.11,;7.34,1.34,;4.67,1.34,;.67,2.11,;.1,3.55,;-1.44,3.55,;-2.21,4.88,;-2,2.11,;-3.33,1.34,;-3.33,-.2,;-2,-.97,;-.67,-.2,;-.67,1.34,;-4.67,2.11,;-6,1.34,;-7.34,2.11,;-7.34,3.65,;-6,4.42,;-4.67,3.65,)|
Cc1noc(C)c1-c1cc(-c2cccnc2O)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |wD:22.31,(-1.38,-2.94,;.09,-3.41,;.56,-4.88,;2.1,-4.88,;2.58,-3.41,;4.04,-2.94,;1.33,-2.51,;1.33,-.97,;2.67,-.2,;2.67,1.34,;4,2.11,;5.33,1.34,;6.67,2.11,;6.67,3.65,;5.33,4.42,;4,3.65,;2.67,4.42,;1.33,2.11,;.77,3.55,;-.77,3.55,;-1.54,4.88,;-1.33,2.11,;-2.67,1.34,;-2.67,-.2,;-1.33,-.97,;,-.2,;,1.34,;-4,2.11,;-5.33,1.34,;-6.67,2.11,;-6.67,3.65,;-5.33,4.42,;-4,3.65,)|
Cc1noc(C)c1-c1cc(CNc2ccccc2)c2[nH]c(=O)n3C(COc1c23)c1ccccn1 |(-2.71,-2.94,;-1.25,-3.41,;-.77,-4.88,;.77,-4.88,;1.25,-3.41,;2.71,-2.94,;,-2.51,;,-.97,;1.33,-.2,;1.33,1.34,;2.67,2.11,;4,1.34,;5.33,2.11,;5.33,3.65,;6.67,4.42,;8,3.65,;8,2.11,;6.67,1.34,;,2.11,;-.57,3.55,;-2.11,3.55,;-2.88,4.88,;-2.67,2.11,;-4,1.34,;-4,-.2,;-2.67,-.97,;-1.33,-.2,;-1.33,1.34,;-5.33,2.11,;-6.67,1.34,;-8,2.11,;-8,3.65,;-6.67,4.42,;-5.33,3.65,)|
COc1ccc(CNCc2cc(-c3c(C)noc3C)c3OCC(c4ccccn4)n4c3c2[nH]c4=O)cc1 |(10,-.2,;8.67,-.97,;7.34,-.2,;7.34,1.34,;6,2.11,;4.67,1.34,;3.33,2.11,;2,1.34,;.67,2.11,;-.67,1.34,;-.67,-.2,;-2,-.97,;-2,-2.51,;-3.25,-3.41,;-4.71,-2.94,;-2.77,-4.88,;-1.23,-4.88,;-.75,-3.41,;.71,-2.94,;-3.33,-.2,;-4.67,-.97,;-6,-.2,;-6,1.34,;-7.34,2.11,;-8.67,1.34,;-10,2.11,;-10,3.65,;-8.67,4.42,;-7.34,3.65,;-4.67,2.11,;-3.33,1.34,;-2,2.11,;-2.57,3.55,;-4.11,3.55,;-4.88,4.88,;4.67,-.2,;6,-.97,)|
CC(C)C(O)c1cc(-c2c(C)noc2C)c2OCC(c3ccccn3)n3c2c1[nH]c3=O |(5.33,-.2,;5.33,1.34,;6.67,2.11,;4,2.11,;4,3.65,;2.67,1.34,;2.67,-.2,;1.33,-.97,;1.33,-2.51,;.09,-3.41,;-1.38,-2.94,;.56,-4.88,;2.1,-4.88,;2.58,-3.41,;4.04,-2.94,;,-.2,;-1.33,-.97,;-2.67,-.2,;-2.67,1.34,;-4,2.11,;-5.33,1.34,;-6.67,2.11,;-6.67,3.65,;-5.33,4.42,;-4,3.65,;-1.33,2.11,;,1.34,;1.33,2.11,;.77,3.55,;-.77,3.55,;-1.54,4.88,)|
Cc1noc(C)c1-c1cc(F)c2[nH]c(=O)n3[C@H](COc1c23)c1ccccn1 |r,wU:16.24,(2.47,-4.57,;1.01,-5.05,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-2.9,.48,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,)|
Cc1noc(C)c1-c1cc(F)c2[nH]c(=O)n3[C@@H](COc1c23)c1ccccn1 |r,wD:16.24,(2.47,-4.57,;1.01,-5.05,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-2.9,.48,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,)|
Cc1noc(C)c1-c1cc(Cl)c2[nH]c(=O)n3[C@@H](COc1c23)c1ccccn1 |r,wD:16.24,(2.47,-4.57,;1.01,-5.05,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-2.9,.48,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;5.09,.48,;6.43,-.29,;7.76,.48,;7.76,2.02,;6.43,2.79,;5.1,2.02,)|
Cc1noc(C)c1-c1cc(Br)c2[nH]c(=O)n3C(COc1c23)c1ccccn1 |(-.06,-2.94,;1.4,-3.41,;1.88,-4.88,;3.42,-4.88,;3.89,-3.41,;5.36,-2.94,;2.65,-2.51,;2.65,-.97,;3.98,-.2,;3.98,1.34,;5.31,2.11,;2.65,2.11,;2.08,3.55,;.54,3.55,;-.23,4.88,;-.02,2.11,;-1.36,1.34,;-1.36,-.2,;-.02,-.97,;1.31,-.2,;1.31,1.34,;-2.69,2.11,;-4.02,1.34,;-5.36,2.11,;-5.36,3.65,;-4.02,4.42,;-2.69,3.65,)|
Cc1noc(C)c1-c1cc(C)c2[nH]c(=O)n3C(COc1c23)c1ccccn1 |(-.06,-2.94,;1.4,-3.41,;1.88,-4.88,;3.42,-4.88,;3.89,-3.41,;5.36,-2.94,;2.65,-2.51,;2.65,-.97,;3.98,-.2,;3.98,1.34,;5.31,2.11,;2.65,2.11,;2.08,3.55,;.54,3.55,;-.23,4.88,;-.02,2.11,;-1.36,1.34,;-1.36,-.2,;-.02,-.97,;1.31,-.2,;1.31,1.34,;-2.69,2.11,;-4.02,1.34,;-5.36,2.11,;-5.36,3.65,;-4.02,4.42,;-2.69,3.65,)|
Cc1noc(C)c1-c1cc(C#N)c2[nH]c(=O)n3C(COc1c23)c1ccccn1 |(-.71,-2.94,;.75,-3.41,;1.23,-4.88,;2.77,-4.88,;3.25,-3.41,;4.71,-2.94,;2,-2.51,;2,-.97,;3.33,-.2,;3.33,1.34,;4.67,2.11,;6,2.88,;2,2.11,;1.43,3.55,;-.11,3.55,;-.88,4.88,;-.67,2.11,;-2,1.34,;-2,-.2,;-.67,-.97,;.67,-.2,;.67,1.34,;-3.33,2.11,;-4.67,1.34,;-6,2.11,;-6,3.65,;-4.67,4.42,;-3.33,3.65,)|
Cc1cc(cn(C)c1=O)-c1cnn(c1)C(C1CC1)c1ccccc1
CC(c1ccccc1)n1cc(cn1)-c1cn(C)c(=O)cc1N1CCCC1
CC(c1ccccc1)n1cc(cn1)-c1cn(C)c(=O)cc1N1CCOCC1
Cn1cc(-c2cnn(Cc3ccccc3)c2)c(cc1=O)N1CC[C@H](C1)C(O)=O |r|
Cn1cc(-c2cnn(Cc3ccccc3)c2)c(cc1=O)-n1ccnc1
Cc1cc([nH]n1)-c1cc(=O)n(C)cc1-c1cnn(Cc2ccccc2)c1
Cn1cc(-c2cnn(Cc3ccccc3)c2)c(cc1=O)-c1ccon1
Cn1cc(-c2cnn(CS(C)(=O)=O)c2)c(cc1=O)-c1ccccc1
Cn1cc(-c2cnn(CC3CC3)c2)c(cc1=O)-c1ccc(cc1)C(O)=O
Cn1cc(-c2cnn(c2)-c2ccccc2C(O)=O)c(cc1=O)-c1ccccc1
Cn1cc(-c2cnn(c2)-c2ccccc2S(C)(=O)=O)c(cc1=O)-c1ccc(Cl)cc1
CCNc1ncc(cn1)-c1cc(=O)n(C)cc1-c1cnn(c1)-c1ccccc1C#N
COc1cc2NC(=O)[C@@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C |r|
COc1cc2NC(=O)[C@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C |r|
COc1cc2N(C(C)C)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
COc1cc2N(C)CC(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CC1
COc1cc2N(C)CC(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1
CN\C=C(/C=N)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(=C)N1CCCCC1
COc1cc2NC(=O)[C@@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C1CCCC1 |r|
COc1cc2NC(=O)[C@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C1CCCC1 |r|
Cn1cc(-c2cc(cc3NC(=O)C(CCO)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(CC2CC2)C1=O
CCN1C(=O)C(Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O)C(C)C
CCS(=O)(=O)c1cc2N(C)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Cn1cc(-c2cc(cc3NC(=O)C4(CCCC4)Nc23)S(C)(=O)=O)c2cc[nH]c2c1=O
CC(C)[C@@H]1Nc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
CC(C)[C@H]1Nc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Cn1cc(-c2cc(cc3NC(=O)C4(CCC4)Nc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Cn1cc(-c2cc(cc3NC(=O)C4(CC4)Nc23)S(C)(=O)=O)c2cc[nH]c2c1=O
CN1C(=O)C2(CC2)Nc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Cn1cc(-c2cc(cc3NC(=O)C(C)(C)Oc23)S(=O)(=O)N2CCCCC2)c2cc[nH]c2c1=O
CC(C)NS(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOC/C=C/C(=O)N1CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C1)c1nnc(C)n1-2
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCOCCOCCOCCOC/C=C/C(=O)N1CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C1)c1nnc(C)n1-2
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCC/C=C/C(=O)N1CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C1)c1nnc(C)n1-2
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCN1CCN(CCCN(C)C/C=C/C(=O)N3CCC[C@@H](n4nc(-c5ccc(Oc6ccccc6)cc5)c5c(N)ncnc54)C3)CC1)c1nnc(C)n1-2
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCOc1ccc(C(=O)C[C@H]3C(C)(C)[C@H](Oc4ccc(C#N)c(Cl)c4)C3(C)C)cc1)c1nnc(C)n1-2
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCOCCOCCOCCOCCOc1ccc(C(=O)C[C@H]3C(C)(C)[C@H](Oc4ccc(C#N)c(Cl)c4)C3(C)C)cc1)c1nnc(C)n1-2