2425 SMILES Strings for Heat shock protein HSP 90-alpha

Compound Name
SMILES String
Cc1noc(c1-c1ccc2OCCOc2c1)-c1ccc(O)cc1O
Oc1ccc(Cl)cc1-c1oncc1-c1ccc2OCCOc2c1
Oc1ccccc1-c1oncc1-c1ccc2OCCOc2c1
COc1ccc(cc1OC)-c1cnoc1-c1cc(Cl)c(O)cc1O
Cc1noc(c1-c1ccc(F)cc1)-c1ccc(O)cc1O
Cc1noc(c1-c1ccccc1)-c1cc(Cl)c(O)cc1O
CCc1cc(-c2oncc2-c2ccc(OC)c(OC)c2)c(O)cc1O
COc1ccc(cc1)-c1c(C)noc1-c1cc(c(O)cc1O)-c1cccnc1
Oc1cc(O)c(cc1Cl)-c1oncc1-c1ccc(Br)cc1
COc1ccc(cc1)-c1c(C)noc1-c1cc(C#N)c(O)cc1O
Cc1cc(O)cc(O)c1-c1oncc1-c1csc(n1)-c1ccccc1 |(-1.74,-5.37,;-1.74,-3.83,;-3.07,-3.06,;-3.07,-1.52,;-4.41,-.75,;-1.74,-.75,;-.41,-1.52,;.93,-.75,;-.41,-3.06,;.93,-3.83,;1.4,-5.29,;2.94,-5.29,;3.42,-3.83,;2.17,-2.92,;2.94,-1.59,;4.41,-1.11,;4.41,.43,;2.94,.9,;2.04,-.34,;2.54,2.39,;3.63,3.48,;3.23,4.97,;1.75,5.37,;.66,4.28,;1.06,2.79,)|
Cc1cc(O)cc(O)c1-c1onc(c1-c1cscn1)C(F)(F)F |(10.95,-.89,;9.62,-1.66,;9.62,-3.2,;8.28,-3.97,;8.28,-5.51,;6.95,-3.2,;6.95,-1.66,;5.41,-1.66,;8.28,-.89,;8.28,.65,;9.53,1.55,;9.05,3.02,;7.51,3.02,;7.04,1.55,;5.57,1.08,;5.1,-.39,;3.56,-.39,;3.08,1.08,;4.33,1.98,;6.61,4.26,;5.7,5.51,;7.85,5.17,;5.36,3.36,)|
COc1ccc(cc1)-c1c(C)noc1-c1cc(C=O)c(O)cc1O
COc1ccc(cc1)-c1c(C)noc1-c1cc(C(=S)Nc2ccccc2)c(O)cc1O
COc1ccc(cc1)-c1c(C)noc1-c1cc(C(=O)Nc2ccccc2OC)c(O)cc1O
COC(c1ccccc1)c1cc(-c2onc(C)c2-c2ccc(OC)cc2)c(O)cc1O
CCCCCc1noc(c1-c1ccc(OC)cc1)-c1ccc(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(cc1)N1CCNCC1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1Br)-c1cc(Cl)c(O)cc1O
CC(=O)Nc1cccc(c1)-c1c(C)noc1-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2ccccc2c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2ncccc2c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1cccnc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1cccc2ccccc12)-c1cc(Cl)c(O)cc1O |(5.22,-2.35,;3.88,-3.12,;2.55,-2.35,;1.21,-3.12,;1.98,-4.45,;-.12,-2.35,;-1.37,-3.25,;-2.61,-2.35,;-2.14,-.88,;-.6,-.88,;.17,.45,;-.6,1.78,;.17,3.12,;1.71,3.12,;2.48,1.78,;4.02,1.78,;4.79,.45,;4.02,-.88,;2.48,-.88,;1.71,.45,;-2.91,.45,;-2.14,1.78,;-2.91,3.12,;-2.14,4.45,;-4.45,3.12,;-5.22,4.45,;-5.22,1.78,;-4.45,.45,;-5.22,-.88,)|
CCNC(=O)c1noc(c1-c1ccc(cc1)N1CCN(C)CC1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNCCS(C)(=O)=O)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCS(=O)(=O)CC2)cc1)-c1cc(Cl)c(O)cc1O
CCNCc1noc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(cc1)C(C)N1CCOCC1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1cccc(c1)C(C)N1CCOCC1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1cccc(CN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCN(CC2)C(C)=O)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1cccc(CN2CCN(C)CC2)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCC(CO)CC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCC(CCO)CC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCC(O)CC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCCC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CC)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(CC)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNCc2cccnc2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN(C)CCO)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1cccc(CN2CCNC(=O)C2)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(F)c(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(F)c(CN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNCc2ccoc2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(CC)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(F)cc1F)-c1cc(Cl)c(O)cc1O |(6.36,-.74,;5.27,-1.83,;3.78,-1.43,;3.01,-2.76,;3.78,-4.1,;1.47,-2.76,;.99,-4.23,;-.55,-4.23,;-1.02,-2.76,;.22,-1.86,;.22,-.32,;-1.11,.45,;-1.11,1.99,;.22,2.76,;.22,4.3,;1.56,1.99,;1.56,.45,;2.89,-.32,;-2.36,-1.99,;-2.36,-.45,;-3.69,.32,;-3.69,1.86,;-5.02,-.45,;-6.36,.32,;-5.02,-1.99,;-3.69,-2.76,;-3.69,-4.3,)|
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)c(F)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)c(F)c1)-c1cc(Cl)c(O)cc1O
NC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1C)-c1cc(Cl)c(O)cc1O |(3.1,-6.74,;2.33,-5.41,;3.1,-4.07,;2.33,-2.74,;3.1,-1.41,;.79,-2.74,;-.12,-3.99,;-1.58,-3.51,;-1.58,-1.97,;-.12,-1.49,;.28,-.01,;-.81,1.08,;-.41,2.57,;1.08,2.97,;1.48,4.46,;2.96,4.85,;4.05,3.77,;5.54,4.16,;5.94,5.65,;4.85,6.74,;3.36,6.34,;2.17,1.88,;1.77,.39,;2.86,-.7,;-2.67,-.88,;-2.27,.61,;-3.36,1.7,;-2.96,3.18,;-4.85,1.3,;-5.94,2.39,;-5.25,-.19,;-4.16,-1.28,;-4.56,-2.77,)|
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1C)-c1cc(Cl)c(O)cc1O |(3.1,-6.74,;2.33,-5.41,;3.1,-4.07,;2.33,-2.74,;3.1,-1.41,;.79,-2.74,;-.12,-3.99,;-1.58,-3.51,;-1.58,-1.97,;-.12,-1.49,;.28,-.01,;-.81,1.08,;-.41,2.57,;1.08,2.97,;1.48,4.46,;2.96,4.85,;4.05,3.77,;5.54,4.16,;5.94,5.65,;4.85,6.74,;3.36,6.34,;2.17,1.88,;1.77,.39,;2.86,-.7,;-2.67,-.88,;-2.27,.61,;-3.36,1.7,;-2.96,3.18,;-4.85,1.3,;-5.94,2.39,;-5.25,-.19,;-4.16,-1.28,;-4.56,-2.77,)|
CCNC(=O)c1noc(c1-c1ccccc1CNCCN1CCOCC1)-c1cc(Cl)c(O)cc1O |(4.82,-6.36,;4.05,-5.03,;2.51,-5.03,;1.74,-3.7,;2.51,-2.36,;.2,-3.7,;-.7,-4.94,;-2.16,-4.47,;-2.16,-2.93,;-.7,-2.45,;-.3,-.96,;-1.39,.13,;-.99,1.61,;.5,2.01,;1.58,.92,;1.19,-.57,;2.52,-1.34,;3.85,-.57,;3.85,.97,;5.19,1.74,;5.19,3.28,;6.52,4.05,;6.52,5.59,;5.19,6.36,;3.85,5.59,;3.85,4.05,;-3.25,-1.84,;-2.86,-.35,;-3.94,.74,;-3.55,2.23,;-5.43,.34,;-6.52,1.43,;-5.83,-1.15,;-4.74,-2.24,;-5.14,-3.72,)|
CCNC(=O)c1noc(c1-c1ccccc1CN1CCOCC1)-c1cc(Cl)c(O)cc1O |(4.82,-4.3,;4.05,-2.96,;2.51,-2.96,;1.74,-1.63,;2.51,-.29,;.2,-1.63,;-.7,-2.87,;-2.16,-2.4,;-2.16,-.86,;-.7,-.38,;-.3,1.11,;-1.39,2.19,;-.99,3.68,;.5,4.08,;1.58,2.99,;1.19,1.5,;2.52,.73,;3.85,1.5,;5.19,.73,;6.52,1.5,;6.52,3.04,;5.19,3.81,;3.85,3.04,;-3.25,.23,;-2.86,1.72,;-3.94,2.81,;-3.55,4.3,;-5.43,2.41,;-6.52,3.5,;-5.83,.92,;-4.74,-.17,;-5.14,-1.65,)|
CCNC(=O)c1noc(c1-c1ccc(CO)cc1)-c1cc(Cl)c(O)cc1O
CC(C)NC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(OCCN(CC)CC)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)c2ccccc12)-c1cc(Cl)c(O)cc1O |(3.87,-4.63,;3.48,-3.14,;1.99,-2.74,;.9,-3.83,;1.3,-5.32,;-.59,-3.43,;-1.83,-4.34,;-3.08,-3.43,;-2.6,-1.97,;-1.06,-1.97,;.03,-.02,;-.74,1.32,;.03,2.65,;1.57,2.65,;2.34,3.98,;3.88,3.98,;4.65,2.65,;6.19,2.65,;6.96,3.98,;6.19,5.32,;4.65,5.32,;2.34,1.32,;3.88,1.32,;4.65,-.02,;3.88,-1.35,;2.34,-1.35,;1.57,-.02,;-3.69,-.88,;-3.29,.61,;-4.38,1.7,;-3.99,3.19,;-5.87,1.3,;-6.96,2.39,;-6.27,-.19,;-5.18,-1.28,;-5.58,-2.76,)|
CCNC(=O)c1noc(c1-c1ccccc1CN1CCN(C)CC1)-c1cc(Cl)c(O)cc1O |(3.97,-4.3,;3.2,-2.96,;1.66,-2.96,;.89,-1.63,;1.66,-.29,;-.65,-1.63,;-1.55,-2.87,;-3.02,-2.4,;-3.02,-.86,;-1.55,-.38,;-1.15,1.11,;-2.24,2.19,;-1.84,3.68,;-.36,4.08,;.73,2.99,;.33,1.5,;1.42,.42,;2.91,.81,;4,-.28,;5.49,.12,;5.89,1.61,;7.37,2.01,;4.8,2.7,;3.31,2.3,;-4.11,.23,;-3.71,1.72,;-4.8,2.81,;-4.4,4.3,;-6.28,2.41,;-7.37,3.5,;-6.68,.92,;-5.59,-.17,;-5.99,-1.65,)|
CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(c(O)cc1O)-c1ccccc1
CCNC(=O)c1noc(c1-c1ccc(OC)cc1)-c1cc(CCc2ccccc2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCCCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1
CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(CCc2cccc(F)c2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CCc2cccc(C)c2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CCc2cccc(C)c2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CCc2cccc(F)c2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(CCc2cccc(F)c2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CCc2ccccc2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1C
CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(CCc2cccc(C)c2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(c(O)cc1O)-c1ccccc1
CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
CCNC(=O)c1noc(c1-c1ccc(C[NH+](CC)CC)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1C
CCNC(=O)c1noc(c1-c1ccc(C[NH+](CC)CC)cc1)-c1cc(c(O)cc1O)-c1ccccc1C
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccn1
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(-c2c(C)noc2C)c(O)cc1O |(6.2,-6.76,;5.43,-5.43,;3.89,-5.43,;3.12,-4.1,;3.89,-2.76,;1.58,-4.1,;.67,-5.34,;-.79,-4.87,;-.79,-3.33,;.67,-2.85,;1.07,-1.36,;2.56,-.97,;2.95,.52,;1.87,1.61,;2.26,3.1,;1.18,4.19,;1.57,5.68,;.49,6.76,;-1,6.37,;-1.4,4.88,;-.31,3.79,;.38,1.21,;-.02,-.27,;-2.13,-2.56,;-2.13,-1.02,;-3.46,-.25,;-3.46,1.29,;-4.71,2.2,;-6.2,1.8,;-4.23,3.66,;-2.69,3.66,;-2.22,2.2,;-.73,1.8,;-4.8,-1.02,;-6.13,-.25,;-4.8,-2.56,;-3.46,-3.33,;-3.46,-4.87,)|
CCNC(=O)c1onc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1onc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C
CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(c(O)cc1O)C(C)(C)C
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C
CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C
CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(c(O)cc1O)C(C)(C)C
CCNC(=O)c1noc(c1-c1ccc(OC)cc1)-c1cc(c(O)cc1O)C(C)(C)C
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNCc1ccc(cc1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC
CCNC(=O)c1noc(c1-c1ccc(CNC(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNCCCCNC(=O)CCCC2SC[C@@H]3NC(=O)N[C@H]23)cc1)-c1cc(C(C)C)c(O)cc1O |r|
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(OC(=O)NC(C)C)cc1OC(=O)NC(C)C
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(OC(C)=O)cc1OC(C)=O
CCNC(=O)c1noc(c1-c1ccc(CNC2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNC2CCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNC2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNC(C)(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNCCOC)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNCCN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCNCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNC2CCNCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(OC(=O)N(C)C)cc1OC(=O)N(C)C
CC(C)NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CC(C)NC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCN(CC)Cc1ccc(cc1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NC(C)C
CC(C)NC(=O)c1noc(c1-c1ccc(CNC2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CC(C)NC(=O)c1noc(c1-c1ccc(CNC2CCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CC(C)NC(=O)c1noc(c1-c1ccc(CNC(C)(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
CC(C)NC(=O)c1noc(c1-c1ccc(CN2CCC(F)(F)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNCC(F)(F)F)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCC(F)(F)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNCC(=O)NC(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNC2(CCCCC2)C(N)=O)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCC(N)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNCC(=O)N(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)CNCc1ccc(cc1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC
CCNC(=O)Oc1cc(OC(=O)NCC)c(cc1C(C)C)-c1onc(C(=O)NCC)c1-c1ccc(CN2CCOCC2)cc1
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CC(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CCCN(C)c2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2N(C)CCCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2C3CCC(N3)c2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2C3CCC(N3C)c2c1)-c1cc(C(C)C)c(O)cc1O |TLB:19:18:20.13:16.15|
CCNC(=O)c1noc(c1-c1ccc2C3CCC(N3CC)c2c1)-c1cc(C(C)C)c(O)cc1O |TLB:19:18:21.13:16.15|
CCNC(=O)c1noc(c1-c1ccc2C3CCC(N3C(C)C)c2c1)-c1cc(C(C)C)c(O)cc1O |TLB:19:18:22.13:16.15|
CCNC(=O)c1noc(c1-c1ccc2C3CCC(N3CC(C)C)c2c1)-c1cc(C(C)C)c(O)cc1O |TLB:19:18:23.13:16.15|
CCNC(=O)c1noc(c1-c1cc2CN(C)CCc2s1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1nc2CN(C)CCc2s1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(C)CCc2n1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1onc(c1-c1ccc2CN(C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nsc(c1-c1ccc2CN(C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C1=CC2CN(C)CC2C1)-c1cc(C(C)C)c(O)cc1O |t:11|
CC(C)c1cc(-c2onc(-c3nnc(C)[nH]3)c2-c2ccc3CN(C)CCc3c2)c(O)cc1O
CCc1cnc([nH]1)-c1noc(c1-c1ccc2CN(C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCc1cnc([nH]1)-c1noc(c1-c1ccc2CN(CCO)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1cc2CCNC(C)(C)c2s1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1cnc2CCN(C)Cc2c1)-c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(-c2onc(C(O)C(F)(F)F)c2-c2ccc3CN(C)CCc3c2)c(O)cc1O
CC(C)c1cc(-c2onc(C(=N)NC#N)c2-c2ccc3CN(C)CCc3c2)c(O)cc1O
CCNC(=O)c1noc(c1-c1cc2CCN(C)CCc2s1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1cc2CN(C)CCn2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1nc2CN(CC(C)C)CCc2n1C)-c1cc(C(C)C)c(O)cc1O |(5.52,-5.69,;4.75,-4.36,;3.21,-4.36,;2.44,-3.02,;3.21,-1.69,;.9,-3.02,;-.01,-4.27,;-1.47,-3.79,;-1.47,-2.25,;-.01,-1.78,;.76,-.45,;2.23,.03,;2.23,1.57,;3.37,2.6,;3.05,4.11,;4.2,5.14,;5.66,4.66,;6.81,5.69,;5.98,3.16,;1.59,4.58,;.44,3.55,;.76,2.05,;-.14,.8,;-1.68,.8,;-2.8,-1.48,;-2.8,.06,;-4.14,.83,;-4.14,2.37,;-5.47,3.14,;-2.8,3.14,;-5.47,.06,;-6.81,.83,;-5.47,-1.48,;-4.14,-2.25,;-4.14,-3.79,)|
CCNC(=O)c1noc(c1-c1ccc2CCN(C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(C)CCCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1onc(c1-c1ccc2CCN(C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1onc(c1-c1ccc2CCNCCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1onc(c1-c1ccc2cnccc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(C)CCc2c1)-c1cc(Br)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(C)CCc2c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(C)CCc2c1)-c1cc(C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(C)CCc2c1)-c1cc(CC(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(C)CCc2c1)-c1cc(CC)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(C)CCc2c1)-c1cc(C2CC2)c(O)cc1O
CNC(=O)c1noc(c1-c1ccc2CN(C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCCNC(=O)c1noc(c1-c1ccc2CN(C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CC(C)NC(=O)c1noc(c1-c1ccc2CN(C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(-c2onc(C(=O)NCC(F)(F)F)c2-c2ccc3CN(C)CCc3c2)c(O)cc1O
CC(C)c1cc(-c2onc(C(=O)NCCF)c2-c2ccc3CN(C)CCc3c2)c(O)cc1O
COCCNC(=O)c1noc(c1-c1ccc2CN(C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
COCCCNC(=O)c1noc(c1-c1ccc2CN(C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(-c2onc(C(=O)NCCN(C)C)c2-c2ccc3CN(C)CCc3c2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CCO)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CCOC)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CCF)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CCCOC)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CCS(=O)(=O)CC)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CC)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCCN1CCc2cc(ccc2C1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC
CCNC(=O)c1noc(c1-c1ccc2CN(CCc2c1)C(C)C)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CC(C)C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CCNC(C)=O)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CCCNC(C)=O)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CC(=O)N(C)C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CCC(=O)N(C)C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CCc2c1)C(=O)CCN(C)C)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CCc2c1)C(=O)CCN1CCOCC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CCc2c1)C(=O)CN(C)C)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc2CN(CCc2c1)C(=O)CN1CCOCC1)-c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(-c2noc(C(N)=O)c2-c2ccc3CN(C)CCc3c2)c(O)cc1O
CNC(=O)c1onc(c1-c1ccc2CN(C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CC(C)NC(=O)c1onc(c1-c1ccc2CN(C)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(-c2noc(C(=O)NCCO)c2-c2ccc3CN(C)CCc3c2)c(O)cc1O
CC(C)c1cc(-c2noc(C(=O)NCCF)c2-c2ccc3CN(C)CCc3c2)c(O)cc1O
CC(C)c1cc(-c2noc(C(=O)NCCCO)c2-c2ccc3CN(C)CCc3c2)c(O)cc1O
CCNC(=O)c1onc(c1-c1ccc2CNCCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1onc(c1-c1ccc2CN(CCc2c1)C(C)C)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1onc(c1-c1ccc2CN(CCO)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1onc(c1-c1ccc2CN(CCOC)CCc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1onc(c1-c1ccc2CN(CCF)CCc2c1)-c1cc(C(C)C)c(O)cc1O
Nc1nccc2n(CCCC#C)c(Sc3cc4OCOc4cc3Br)nc12
Nc1nccc2n(CCCC#C)c(Sc3cc4OCOc4cc3Cl)nc12
Nc1nccc2n(CCCC#C)c(Sc3cc4OCOc4cc3I)nc12
CCCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
Nc1nccc2n(CCCC#C)c(Sc3cc4OCCOc4cc3I)nc12
Nc1nccc2n(CCCC#C)c(Sc3ccc4OCCc4c3)nc12
COc1cccc(Sc2nc3c(N)nccc3n2CCCC#C)c1
COc1ccc(I)c(Sc2nc3c(N)nccc3n2CCCC#C)c1
COc1ccc(Br)c(Sc2nc3c(N)nccc3n2CCCC#C)c1
COc1ccc(Cl)c(Sc2nc3c(N)nccc3n2CCCC#C)c1
COc1cc(I)c(Sc2nc3c(N)nccc3n2CCCC#C)cc1OC
Nc1nccc2n(CCCC#C)c(Sc3cc(O)c(O)cc3I)nc12
COc1ccc(c(Sc2nc3c(N)nccc3n2CCCC#C)c1)[N+]([O-])=O
COc1ccc([N+]#[C-])c(Sc2nc3c(N)nccc3n2CCCC#C)c1
COc1ccc(C(C)=O)c(Sc2nc3c(N)nccc3n2CCCC#C)c1
Nc1nccc2n(CCCC#C)c(Sc3cc(F)c(F)cc3I)nc12
Nc1nccc2n(CCC#C)c(Sc3cc4OCOc4cc3Br)nc12
Nc1nccc2n(CCC#C)c(Sc3cc4OCOc4cc3I)nc12
Nc1nccc2n(CCCCC#C)c(Sc3cc4OCOc4cc3Br)nc12
Nc1nccc2n(CCCCC#C)c(Sc3cc4OCOc4cc3I)nc12
COc1ccc(I)c(Sc2nc3c(N)nccc3n2CCCC#N)c1
Nc1nccc2n(CCCC#N)c(Sc3cc4OCOc4cc3Br)nc12
Nc1nccc2n(CCCC#N)c(Sc3cc4OCOc4cc3I)nc12
Nc1nccc2n(CCCCC#N)c(Sc3cc4OCOc4cc3Br)nc12
Nc1nccc2n(CCCCC#N)c(Sc3cc4OCOc4cc3I)nc12
NCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CC(C)(C)CNCCn1c(Sc2cc3OCOc3cc2Br)nc2c(N)nccc12
CC(C)(C)CNCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CC(C)(C)NCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CC(C)NCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CCC(CC)NCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CN(C)CCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CNCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
COc1ccc(I)c(Sc2nc3c(N)nccc3n2CCNCC(C)(C)C)c1
CC(C)NCCCn1c(Sc2cc3OCOc3cc2Br)nc2c(N)nccc12
COc1ccc(Br)c(Sc2nc3c(N)nccc3n2CCCNC(C)C)c1
COc1ccc(I)c(Sc2nc3c(N)nccc3n2CCCNC(C)C)c1
CC(C)(C)CNCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CC(C)(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CCC(CC)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CC(C)OCCn1c(Sc2cc3OCOc3cc2Br)nc2c(N)nccc12
CC(C)OCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
COc1ccc(I)c(Sc2nc3c(N)nccc3n2CCOC(C)C)c1
NC(=O)CCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
NC(=O)CCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
NC(=O)CCCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CC(=O)NCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CC(=O)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CC(=O)NCCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CC(C)(C)CNCCn1c(Sc2cc3OCOc3cc2Cl)nc2c(N)nccc12
Cc1cc2OCOc2cc1Sc1nc2c(N)nccc2n1CCNCC(C)(C)C
COc1cc2OCOc2cc1Sc1nc2c(N)nccc2n1CCNCC(C)(C)C
CC(C)(C)CNCCn1c(Sc2cc3OCOc3cc2C=C)nc2c(N)nccc12
CCc1cc2OCOc2cc1Sc1nc2c(N)nccc2n1CCNCC(C)(C)C
CC(C)(C)CNCCn1c(Sc2cc3OCOc3cc2C(C)(C)C)nc2c(N)nccc12
CSc1cc2OCOc2cc1Sc1nc2c(N)nccc2n1CCNCC(C)(C)C
CC(C)(C)CNCCn1c(Sc2cc3OCOc3cc2[N+]#[C-])nc2c(N)nccc12
CC(C)(C)CNCCn1c(Sc2cc3OC(C)(C)Oc3cc2I)nc2c(N)nccc12
CC(C)(C)CNCCn1c2ccnc(c2nc1Sc3cc4c(cc3N(C)C)OCO4)N
CC(C)(C)CNCCn1c(Sc2cc3OCOc3cc2[N+]([O-])=O)nc2c(N)nccc12
CN(C)Cc1cc2OCOc2cc1Sc1nc2c(N)nccc2n1CCNCC(C)(C)C
Brc1ccc2Oc2c1SC1Nc2cncnc2N1CCCC#C
Cc1ncc2NC(Sc3c(Br)ccc(Cl)c3Cl)N(CCCC#C)c2n1
Clc1ccc(Cl)c(SC2Nc3cncnc3N2CCCC#C)c1Cl
COc1ccc(Cl)c(SC2Nc3cncnc3N2CCOC(C)C)c1Cl
Clc1ccc(Br)c(SC2Nc3cncnc3N2)c1Cl
CC(C)NCCCN1C(Nc2cnc(F)nc12)Sc1c2Oc2ccc1Br
Brc1ccc2Oc2c1CC1Nc2cncnc2N1CCCC#C
Fc1ncc2NC(Cc3c4Oc4ccc3Cl)N(CCCC#C)c2n1
CC(C)NCCCN1C(Cc2c3Oc3ccc2I)Nc2cnc(F)nc12
CC(C)NCCCN1C(Nc2cncnc12)Sc1c2Oc2ccc1I
Ic1ccc2Oc2c1SC1Nc2cncnc2N1CCCC#C
Fc1ncc2NC(Cc3c4Oc4ccc3I)N(CCCC#C)c2n1
COc1ccc(I)c(CC2Nc3cnc(F)nc3N2CCCC#C)c1OC
COc1ccc(Br)c(SC2Nc3cnc(F)nc3N2CCCC#C)c1OC
COc1ccc(Cl)c(CC2Nc3cnc(F)nc3N2CCCC#C)c1OC
COc1cc(Cl)c(SC2Nc3cnc(F)nc3N2CCCC#C)c(OC)c1OC
COc1ccc(C#N)c(Sc2nc3c(N)nccc3n2CCCC#C)c1
CC(C)(C)CNCCn1c(Sc2cc3OCCOc3cc2I)nc2c(N)nccc12
CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
CC(C)(C)CNCCn1c(Sc2cc3OCOc3cc2C#N)nc2c(N)nccc12
Oc1ccc2c(noc2c1)-c1cc(Br)c(O)cc1O
Oc1ccc(-c2noc3cc(O)ccc23)c(O)c1
Oc1ccc2c(noc2c1)-c1cc(Cl)c(O)cc1O
COc1ccc2c(noc2c1)-c1cc(Cl)c(OC)cc1OC
CN1CCN(CC1)c1ccc2onc(-c3cc(Cl)c(O)cc3O)c2c1
Oc1cc(O)c(cc1Br)-c1noc2ccc(NCCN3CCOCC3)cc12
COc1cc(OC)c(cc1Cl)-c1noc2ccc(NCCN3CCOCC3)cc12
Oc1cc(O)c(cc1Cl)-c1noc2ccc(NCCN3CCOCC3)cc12
CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2OC |r,w:16.16,6.6,t:28|
COc1ccc2c(C)n[nH]c3cccc1c23
Cc1cccc(NC(=O)c2c(O)n3CCCc4cccc(c34)c2=O)n1
CCc1ccc(cc1)-c1nnn(CCC(=O)OC)n1
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
CC(=O)c1cccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)c1
OC(=O)c1ccc2C(=O)c3ccccc3-c3ncnc1c23
CC(OC(=O)c1cccs1)C(=O)NCc1cccs1
OC(=O)c1ccccc1C1=Nc2ccc(O)cc2Oc2cc(O)ccc12 |t:10|
O=[#6]-1\[#6](-[#7]-c2ccccc-12)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O
Cc1cccc(NC(=O)Cn2nnc(n2)-c2cccs2)c1C
[H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccccc1
Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCO)c1=O)c23
Cc1cc(SCC(N)=O)nc(SCC(=O)c2ccccc2)n1
COc1cc(NCCCC(C)N)c2ncccc2c1
[H]C12CC([H])(C=C1)C1C2C(=O)N(CNc2ccc(O)cc2)C1=O |c:5,TLB:21:7:2:5.6,THB:9:8:2:5.6|
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
CN(C)c1ccc(cc1)N=Cc1nc(oc1O)-c1ccccc1 |w:9.9|
C1CCN(CC1)c2c(non2)N
Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1
CCOC(=O)c1cnc(SC2CCc3ccccc3C2=O)nc1N
CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CCOC)nc1C
O=S(=O)(NC1CCc2ccccc12)c1ccc(cc1)S(=O)(=O)N1CCCC1
Oc1ccc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc1O
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O
C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
c1cc(c(cc1\C=C\C(=O)O)O)O
c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO
O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2 |c:2,TLB:12:13:16:21.22.19.20,THB:23:21:13.14.18:16,23:13:16:21.22.19.20,19:17:14:21.23.22,20:21:14:17.18.16|
c1cc2cc(ccc2nc1)N
CN(C)\C=N\c1c(Br)cc(Br)c2nonc12
Cc1nc(cs1)-c1c(noc1C(F)(F)F)-c1ccc(O)cc1O
CCOC(=O)C1C(C(C(=O)OCC)=C(C)OC1=N)c1cccnc1 |t:12|
Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C
COc1ccc(OC)c(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 |w:10.10|
COc1cccc(c1)C(=O)NCC(=O)n1nc(C)cc1C
CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
CC(=O)Nc1cnc2ccccc2n1
O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
CC1=NC(c2ccccc2)C(C#N)(C#N)C(C1)(C#N)C#N |t:1|
Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F
Cc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)CN1CCN(CC1)c1ccccc1
Cc1coc2c(O)cc3C4CCCNC(=O)C4(Oc3c12)N1CCCCC1
Oc1cc2C3CCCNC(=O)C3(Oc2c2ccccc12)N1CCCCC1
CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1 |w:14.15|
Oc1ccc(C=Nc2ccc3ncccc3c2)c(O)c1 |w:6.6|
CCCCCC(=O)N1CC2(C)CN(CC(C)(C1)C2=O)C(=O)CCCCC
CC(C)COC(=O)c1c(N)n(CC=C)c2nc3ccccc3nc12
CCCc1cc(-c2n[nH]cc2-c2ccc3OCCCOc3c2)c(O)cc1O
Cc1ccc(cc1)S(=O)(=O)C(CCC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1
COc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(O)c(O)c1 |c:15|
Nc1ccc2ncccc2c1N
C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc2OCOc2c1
Nc1c(c2Nc3ccccc3Nc2n1N=CC1=CC(=O)C(=O)C=C1)S(=O)(=O)c1cccc(Cl)c1 |w:14.16,c:25,t:19|
O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
Clc1c(sc2ccccc12)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
COc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1
CC(C)CN1C(=O)NC(NC(=O)c2ccco2)(C1=O)C(F)(F)F
Oc1ccc2c(occ(-c3ccc4OCCOc4c3)c2=O)c1CN1CCOCC1
COc1ccc(cc1)N1C(=O)CSC11C(=O)N2CCCc3cccc1c23
Cc1ccc(NC(=O)CC2SCCNC2=O)cc1Cl
COc1ccc(cc1Cl)S(=O)(=O)N(C)CC(=O)N1CCC(CC1)C(N)=O
COc1ccc(cc1OC)-c1[nH]oc2c(O)n(-c3c(C)cccc3C)c(=O)c12 |(12.41,5.48,;13.44,4.33,;12.96,2.87,;11.46,2.55,;10.98,1.08,;12.01,-.06,;13.51,.26,;13.99,1.72,;15.5,2.04,;16.53,.89,;11.53,-1.53,;12.43,-2.77,;11.53,-4,;10.07,-3.54,;8.61,-4.01,;8.13,-5.48,;7.7,-2.77,;6.16,-2.77,;5.39,-1.43,;6.16,-.1,;3.85,-1.43,;3.08,-2.77,;3.85,-4.1,;5.39,-4.1,;6.16,-5.43,;8.61,-1.52,;8.13,-.05,;10.07,-2,)|
COc1ccc(cc1OC)-c1[nH]oc2c(O)n(-c3ccc4OCCOc4c3)c(=O)c12
Oc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2ccccc2c1
Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
CCOC(=O)NC1(Nc2ccc(Cl)cn2)Oc2ccccc2O1
Cc1c(oc2ccc(F)cc2c1=O)-c1nn(C)c(=O)c2ccccc12
CN(c1ccccc1)c1ccc(C=c2s\c(=C(\C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1n[nH]c(=O)c2ccccc12
Oc1ccc(-c2onc(c2-c2cscn2)C(F)(F)F)c(O)c1
CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(ccc12)C(O)=O |(9.6,14.75,;8.1,14.43,;7.62,12.97,;8.52,11.73,;10.06,11.73,;10.83,10.4,;12.37,10.4,;13.27,11.64,;14.74,11.17,;14.74,9.63,;15.98,8.72,;17.39,9.35,;18.64,8.44,;18.48,6.91,;17.07,6.28,;15.82,7.19,;13.27,9.15,;12.8,7.69,;13.83,6.54,;13.35,5.08,;11.85,4.76,;10.81,5.9,;11.29,7.36,;10.26,8.51,;7.62,10.49,;6.16,10.96,;4.83,10.19,;3.49,10.96,;3.49,12.5,;4.83,13.27,;6.16,12.5,;2.16,10.19,;.83,10.96,;2.16,8.65,)|
C[C@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1
Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc2oc(=O)sc2c1
CCOC(=O)NC1(NCc2ccccc2)Oc2ccccc2O1
CCOc1cc(N2CCOCC2)c(OCC)cc1N=C1CCCCCN1 |w:18.19|
C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O
CCn1c(CSc2nnc3ccccn23)nc2cc(ccc12)C(O)=O
C(Sc1nc2ccccc2[nH]1)c1ccc(cc1)-c1nnco1
CCn1c(CSc2nccn2C)nc2cc(ccc12)C(O)=O
O=S(=O)(N1CCCC1)c1cccc(c1)-c1nnco1
FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1
CCc1cc(-c2n[nH]cc2-c2ccc3OCOc3c2)c(O)cc1O
C(Sc1nc2ccccc2s1)c1ccc(cc1)-c1nnco1
N#Cc1ccc(CSc2nnc(Nc3ccccc3)s2)cc1
CCOC(=O)c1c(C)oc2c1c(C=NCC1CCCO1)c(O)c1ccccc21 |w:13.14|
O=C(NCc1cccnc1)C1N(Cc2ccco2)C(=O)c2ccccc12
OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
CC(=O)Oc1cc2c(C(=O)NCCCN3CCOCC3)c(C)oc2c2ccccc12
CC(=O)Oc1cc2c(C(=O)NCCN3CCOCC3)c(C)oc2c2ccccc12
COc1ccc(OC)c(c1)-n1c(C)nc2cc(ccc12)C(O)=O |(10.08,5.5,;9.6,4.04,;10.63,2.89,;12.13,3.21,;13.16,2.06,;12.68,.6,;13.71,-.55,;15.22,-.23,;11.18,.28,;10.15,1.43,;10.7,-1.18,;11.6,-2.42,;13.14,-2.42,;10.7,-3.66,;9.24,-3.19,;7.91,-3.96,;6.57,-3.19,;6.57,-1.65,;7.91,-.88,;9.24,-1.65,;5.24,-3.96,;3.91,-3.19,;5.24,-5.5,)|
CCS(=O)(=O)NCc1ccc2[nH]c3CCCCc3c2c1
CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1
CCCc1cc2OCOc2cc1NS(=O)(=O)c1ccc(CCNC(C)=O)cc1
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)NCC1CCCO1
COc1ccc(cc1OC)S(=O)(=O)Nc1ccc2OCOc2c1
CCOc1ccc(c2cccnc12)S(=O)(=O)Nc1ccc2OCOc2c1
O=C(NCCCn1ccnc1)c1noc-2c1CCc1ccccc-21
Nc1nc-2c(CCc3c-2cnn3-c2ccccc2)s1
c1cc2cnccc2c(c1)N
Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
FC(F)(F)C1(NC(=O)N2CCC3(CC2)OCCO3)Oc2ccc(Cl)cc2O1
O=C(CCNC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc2OCCOc2c1
CCOc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c2oc(=O)sc2c1
Cn1ncnc2c1nc(=O)n(C)c2=O
Brc1ccc2nc(cc(C(=O)N3CCN(CC3)c3ccccn3)c2c1)-c1ccncc1
CC(C)OC(=O)CSc1nc2ccccc2s1
CCOc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1
Clc1ccc(CS(=O)(=O)Nc2ccc3OCOc3c2)cc1
COC(=O)C1=C(C)N(C(=O)C1)c1cccc2ccccc12 |c:4|
COC(=O)c1ccc2N=C3CCCC(=O)C3Sc2c1 |t:8|
CCOC(O)c1oc2C(=O)C(=O)C=Cc2c(=O)c1-c1nncn1-c1ccccc1 |c:12,(4.18,-6.43,;4.18,-4.89,;5.52,-4.12,;5.52,-2.58,;3.98,-2.58,;6.85,-1.81,;8.18,-2.58,;9.52,-1.81,;10.89,-2.63,;10.88,-4.17,;12.29,-1.84,;13.62,-2.61,;12.29,-.24,;10.89,.56,;9.52,-.27,;8.18,.5,;8.95,1.84,;6.85,-.27,;5.52,.5,;4.11,-.12,;3.08,1.02,;3.85,2.35,;5.36,2.03,;5.83,3.5,;4.8,4.64,;5.28,6.11,;6.78,6.43,;7.81,5.28,;7.34,3.82,)|
CCc1ccc(CNc2ccc(cc2)N2CCN(CC2)C(C)=O)cc1
c1cc(c(c(c1)Cl)OCC(=O)O)Cl
Cc1ccc(cc1S(=O)(=O)NCC1CCCO1)C(O)=O
Oc1ccccc1C(=O)OC1CCc2ccccc2C1=O
CCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1
Cc1ccc(CNc2ccc(O)cc2)cc1
CC(NC(=O)c1ccoc1C)C(C)(C)C
COc1ccc(cc1)C1CC(=O)C2C(c3ccccc3)n3ncnc3N=C2C1 |c:28|
COc1ccc(N2CSC3=C(C#N)C(CC(=O)N3C2)c2ccc(OC)c(OC)c2)c(OC)c1 |c:9|
CCSc1nnc-2c(OC(N(C(C)=O)c3ccccc-23)c2ccc(cc2)C(O)=O)n1
COc1ccc(cc1)-c1nc(CS(=O)CC(=O)NCc2ccccn2)c(C)o1
O=C1N(Cc2ccc3OCOc3c2)C(Nc2ccc3OCOc3c2)c2ccccc12
CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1
CN(C)CCNc1nc2n(C)c(=O)n(C)c(=O)c2n1CC(O)COc1ccccc1C
Cc1noc(C(=O)Nc2ccc3OCOc3c2)c1Cl
CCOC(=O)N1CCC(CC1)NC(=O)CSCc1nc(oc1C)-c1sccc1C
CCSCCOC(=O)C1C(NC(=O)N=C1C)c1ccccc1 |c:13|
O=C(Nc1nc(cs1)-c1ccc2OCOc2c1)C1COc2ccccc2O1
COc1ccc(cc1)-n1nc2CS(=O)Cc2c1NC(=O)c1ccc(Br)cc1
OCCCc1nc2N=C(CC(c3ccccc3)n2n1)c1ccccc1 |c:7|
OC(=O)CCC(=O)NCc1ccc2[nH]c3CCCCc3c2c1
O=C(COc1ccc(cc1)-c1ccccc1)N1CCN(CC1)C(=O)c1cccnc1
Cn1cnnc1SCC(=O)c1ccc2CCCCc2c1
Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C |(9.99,-2.67,;11.14,-1.64,;10.98,-.11,;9.64,.66,;8.1,.66,;7.2,1.9,;7.68,3.37,;5.75,1.43,;4.41,2.2,;3.08,1.43,;3.08,-.11,;4.41,-.88,;5.75,-.11,;7.2,-.58,;7.68,-2.04,;12.38,.52,;12.7,2.03,;13.41,-.63,;14.95,-.46,;15.57,.94,;17.1,1.1,;18.01,-.14,;17.38,-1.55,;15.85,-1.71,;12.64,-1.96,;13.27,-3.37,)|
CC(=O)CCc1c(C)nc2ccccc2c1O
Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O
Oc1ccc(cc1)N=Cc1ccc(O)c(O)c1 |w:7.7|
CC(C)c1cc(Nc2cccc(O)c2)cc(C(C)C)c1O
CS(=O)(=O)N(CC(=O)NCC=C)c1cccc(Br)c1
O=c1oc2c3CCCN4CCCc(cc2s1)c34
COc1cc(NS(=O)(=O)c2ccc(F)c(c2)C#N)c2ncccc2c1
Nc1ccc(O)c2ncccc12
Cc1ccc(cc1)S(=O)(=O)Nc1cc(O)cc2cccnc12
c1cc2cccnc2c(c1)N
[O-][N+](=O)c1ccc(=O)c2ccc[nH]c12
O=C1C(CNCC1=Cc1ccccn1)=Cc1ccccn1
Oc1c(Cl)cc(Cl)c2cccnc12
COc1cc(NC(=O)CCCCCCN)c2ncccc2c1
Oc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ncccc2c1
Oc1cc(NS(=O)(=O)c2ccc(F)c(c2)C#N)c2ncccc2c1
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(c1)-c1c2OCOc2ccc1O |(9.24,7.7,;9.24,6.16,;10.58,5.39,;10.58,3.85,;9.24,3.08,;7.91,3.85,;7.91,5.39,;9.24,1.54,;10.78,1.54,;7.7,1.54,;9.24,,;7.91,-.77,;6.57,,;5.24,-.77,;5.24,-2.31,;3.91,-3.08,;6.57,-3.08,;7.91,-2.31,;6.57,-4.62,;7.91,-5.39,;9.37,-4.92,;10.26,-6.16,;9.37,-7.4,;7.91,-6.93,;6.57,-7.7,;5.24,-6.93,;5.24,-5.39,;3.91,-4.62,)|
COc1cc(NCCCC(C)=O)c2nccc(OCc3ccccc3)c2c1
Fc1ccc(cc1C#N)S(=O)(=O)Nc1cc(OCc2ccccc2)cc2cccnc12
[O-][N+](=O)c1ccc(cc1F)S(=O)(=O)Nc1cc(OCc2ccccc2)cc2cccnc12
Fc1ccc(cc1)S(=O)(=O)Nc1cc(OCc2ccccc2)cc2cccnc12
COc1cc(N)c2nccc(OCc3ccccc3)c2c1
COc1cc(NCCCC(C)N=O)c2nccc(OCc3ccccc3)c2c1
CC(=O)CCCNc1c(OCc2ccccc2)ccc2c(C)cc(=O)oc12
CC(C)(C)OC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1-c1ccccc1O |(17.81,-4.39,;17.04,-3.05,;18.37,-2.28,;15.7,-3.82,;16.27,-1.72,;14.73,-1.72,;13.96,-3.05,;13.96,-.39,;12.42,-.39,;12.42,-1.93,;11.08,-2.7,;9.75,-1.93,;9.75,-.39,;8.41,.39,;7.08,-.39,;6.31,.95,;7.85,-1.72,;5.75,-1.16,;5.75,-2.7,;4.41,-3.47,;4.41,-5.01,;3.08,-2.7,;3.08,-1.16,;4.41,-.39,;4.41,1.16,;11.08,.39,;11.08,1.93,;9.75,2.7,;9.75,4.24,;11.08,5.01,;12.42,4.24,;12.42,2.7,;13.96,2.7,)|
Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1-c1ccccc1O
COc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1N |(4.41,-4.62,;5.75,-3.85,;7.08,-4.62,;7.08,-6.16,;8.41,-6.93,;9.75,-6.16,;11.21,-6.63,;12.1,-5.39,;11.21,-4.15,;9.75,-4.62,;8.41,-3.85,;8.41,-2.31,;7.08,-1.54,;7.08,,;5.75,.77,;5.75,2.31,;4.21,2.31,;7.29,2.31,;5.75,3.85,;4.41,4.62,;4.41,6.16,;3.08,6.93,;5.75,6.93,;7.08,6.16,;7.08,4.62,;8.41,3.85,;8.41,.77,;9.75,,;9.75,-1.54,;11.29,-1.54,)|
Nc1ccc(NS(=O)(=O)c2ccccc2[N+]([O-])=O)cc1-c1ccccc1O
Nc1ccc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc1-c1ccccc1O
Nc1ccc(NS(=O)(=O)c2ccccc2N)cc1-c1ccccc1O
Nc1cccc(c1)S(=O)(=O)Nc1ccc(N)c(c1)-c1ccccc1O
COc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)ccc1N |(3.29,-5.39,;4.62,-4.62,;5.95,-5.39,;5.95,-6.93,;7.29,-7.7,;8.62,-6.93,;10.08,-7.4,;10.98,-6.16,;10.08,-4.92,;8.62,-5.39,;7.29,-4.62,;7.29,-3.08,;5.95,-2.31,;5.95,-.77,;4.62,,;4.62,1.54,;3.08,1.54,;6.16,1.54,;4.62,3.08,;3.29,3.85,;3.29,5.39,;4.62,6.16,;5.95,5.39,;5.95,3.85,;7.29,6.16,;7.29,7.7,;8.62,5.39,;7.29,,;8.62,-.77,;8.62,-2.31,;10.16,-2.31,)|
COc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1N |(3.29,-5.39,;4.62,-4.62,;5.95,-5.39,;5.95,-6.93,;7.29,-7.7,;8.62,-6.93,;10.08,-7.4,;10.98,-6.16,;10.08,-4.92,;8.62,-5.39,;7.29,-4.62,;7.29,-3.08,;5.95,-2.31,;5.95,-.77,;4.62,,;4.62,1.54,;3.08,1.54,;6.16,1.54,;4.62,3.08,;5.95,3.85,;5.95,5.39,;4.62,6.16,;4.62,7.7,;3.29,5.39,;3.29,3.85,;7.29,,;8.62,-.77,;8.62,-2.31,;10.16,-2.31,)|
Oc1ccccc1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1O
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(c1)-c1ccccc1O
COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(O)c(c1)-c1ccccc1O
Oc1ccccc1-c1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)ccc1O
COc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2cccc(N)c2)ccc1N |(3.29,-5.1,;4.62,-4.33,;5.95,-5.1,;5.95,-6.64,;7.29,-7.41,;8.62,-6.64,;10.08,-7.11,;10.98,-5.87,;10.08,-4.63,;8.62,-5.1,;7.29,-4.33,;7.29,-2.79,;5.95,-2.02,;5.95,-.48,;4.62,.29,;4.62,1.83,;3.08,1.83,;6.16,1.83,;4.62,3.37,;3.29,4.14,;3.29,5.68,;4.62,6.45,;5.95,5.68,;7.29,6.45,;5.95,4.14,;7.29,.29,;8.62,-.48,;8.62,-2.02,;10.16,-2.02,)|
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(N)c(c1)-c1ccccc1O
COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(N)c(c1)-c1ccccc1O
CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)OC(C)(C)C |(3.08,4.46,;4.6,4.72,;5.59,3.54,;7.1,3.81,;7.1,5.35,;8.44,6.12,;9.77,5.35,;11.15,6.18,;12.54,5.38,;12.54,3.78,;11.15,2.99,;9.77,3.81,;8.44,3.04,;8.96,1.6,;10.48,1.33,;11.01,-.12,;12.52,-.39,;13.05,-1.83,;14.5,-1.31,;11.6,-2.36,;13.58,-3.28,;15.09,-3.55,;15.62,-5,;17.14,-5.26,;14.63,-6.18,;13.11,-5.91,;12.59,-4.46,;11.07,-4.19,;10.02,-1.3,;8.5,-1.03,;7.97,.42,;6.46,.68,;5.47,-.5,;3.95,-.23,;5.99,-1.94,;5,-3.12,;4.01,-4.3,;6.18,-4.11,;3.82,-2.13,)|
CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1N |(3.08,5.93,;4.62,5.93,;5.39,4.59,;6.93,4.59,;6.93,6.13,;8.26,6.9,;9.6,6.13,;10.97,6.96,;12.37,6.17,;12.37,4.56,;10.97,3.77,;9.6,4.59,;8.26,3.82,;8.26,2.28,;9.6,1.51,;9.6,-.03,;10.93,-.8,;10.93,-2.34,;12.47,-2.34,;9.39,-2.34,;10.93,-3.88,;12.26,-4.65,;12.26,-6.19,;13.6,-6.96,;10.93,-6.96,;9.6,-6.19,;9.6,-4.65,;8.26,-3.88,;8.26,-.8,;6.93,-.03,;6.93,1.51,;5.39,1.51,)|
CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1N |(3.08,6.7,;4.62,6.7,;5.39,5.36,;6.93,5.36,;6.93,6.9,;8.26,7.67,;9.6,6.9,;10.97,7.73,;12.37,6.94,;12.37,5.33,;10.97,4.54,;9.6,5.36,;8.26,4.59,;8.26,3.05,;9.6,2.28,;9.6,.74,;10.93,-.03,;10.93,-1.57,;12.47,-1.57,;9.39,-1.57,;10.93,-3.11,;9.6,-3.88,;9.6,-5.42,;10.93,-6.19,;10.93,-7.73,;12.26,-5.42,;12.26,-3.88,;8.26,-.03,;6.93,.74,;6.93,2.28,;5.39,2.28,)|
CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)ccc1N |(3.08,7.08,;4.62,7.08,;5.39,5.75,;6.93,5.75,;6.93,7.29,;8.26,8.06,;9.6,7.29,;10.97,8.11,;12.37,7.32,;12.37,5.72,;10.97,4.93,;9.6,5.75,;8.26,4.98,;8.26,3.44,;9.6,2.67,;9.6,1.13,;10.93,.36,;10.93,-1.18,;12.47,-1.18,;9.39,-1.18,;10.93,-2.72,;12.26,-3.49,;12.26,-5.03,;10.93,-5.8,;10.93,-7.34,;12.26,-8.11,;9.6,-5.03,;8.26,-5.8,;8.26,-7.34,;9.6,-3.49,;8.26,.36,;6.93,1.13,;6.93,2.67,;5.39,2.67,)|
Nc1cccc(c1)S(=O)(=O)Nc1ccc(O)c(c1)-c1ccccc1O
NCc1cc(ccc1F)S(=O)(=O)Nc1cc(O)cc2cccnc12
COc1ccc(NS(=O)(=O)c2ccccc2)c(OC)c1
Nc1ccc(NS(=O)(=O)c2ccccc2)c(O)c1
Oc1cc(ccc1NS(=O)(=O)c1ccccc1)[N+]([O-])=O
Oc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1
COc1cc(ccc1O)C1CC(N=N1)c1ccccc1O |c:13|
COc1ccc(cc1OC)C1CC(N=N1)c1ccccc1O |c:14|
c1cc2c(cc(c(c2nc1)O)I)Cl
Cc1cc(=O)oc2c(N)c(O)ccc12
Cc1cc(=O)oc2c(N)c(OCc3ccccc3)ccc12
COc1cc(N)c2nccc(Cl)c2c1
COc1cc(NCCCC(C)=O)c2nccc(Cl)c2c1
COc1cc(NCCCC(C)N)c2nccc(Cl)c2c1
Oc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2ccc(F)c(c2)C#N)ccc1F |(3.91,-4.62,;5.24,-5.39,;5.24,-6.93,;6.57,-7.7,;7.91,-6.93,;9.37,-7.4,;10.26,-6.16,;9.37,-4.92,;7.91,-5.39,;6.57,-4.62,;6.57,-3.08,;7.91,-2.31,;7.91,-.77,;9.24,,;9.24,1.54,;10.78,1.54,;7.7,1.54,;9.24,3.08,;7.91,3.85,;7.91,5.39,;9.24,6.16,;9.24,7.7,;10.58,5.39,;10.58,3.85,;11.91,6.16,;13.24,6.93,;6.57,,;5.24,-.77,;5.24,-2.31,;3.91,-3.08,)|
Oc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)ccc1F |(3.91,-4.62,;5.24,-5.39,;5.24,-6.93,;6.57,-7.7,;7.91,-6.93,;9.37,-7.4,;10.26,-6.16,;9.37,-4.92,;7.91,-5.39,;6.57,-4.62,;6.57,-3.08,;7.91,-2.31,;7.91,-.77,;9.24,,;9.24,1.54,;10.78,1.54,;7.7,1.54,;9.24,3.08,;7.91,3.85,;7.91,5.39,;9.24,6.16,;9.24,7.7,;10.58,5.39,;10.58,3.85,;11.91,6.16,;13.24,5.39,;11.91,7.7,;6.57,,;5.24,-.77,;5.24,-2.31,;3.91,-3.08,)|
Oc1cc(O)c2ncccc2c1
Nc1cc(Br)cc2cccnc12
NNc1ccc2c(Cl)cc(Cl)c(O)c2n1
Nc1cccc2cc(O)ccc12
CCN(CC)CCCCCNc1cc(O)cc2cccnc12
CC(C)NCCCC(C)Nc1cc(O)cc2cccnc12
CC(CCN(C)C)Nc1cc(O)cc2cccnc12
c1cc2cccnc2c(c1)O
CCN(CC)CC(O)c1ccnc2c(O)cccc12
Nc1cc(Cl)cc2cccnc12
Oc1cc([N+]([O-])=O)c2ncccc2c1
Cc1[nH]c2c(N)cccc2c1C
Nc1ccc2[nH]ccc2c1
CCOC(=O)c1c(C)[nH]c2ccc(O)cc12
Oc1ccc2[nH]ccc2c1
CCOC(=O)Cc1c[nH]c2ccc(N)cc12
Nc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Nc1ccc(Cc2ccccc2)c(O)c1
Nc1ccc(CSc2ccc(Cl)cc2)c(O)c1
Nc1ccc(Nc2nc3ccccc3s2)c(O)c1
Cc1ccc(OC(=O)c2ccc(N)cc2O)cc1
NCCCCCNc1cc(O)cc2cccnc12
CC(C)NCCCCCNc1cc(O)cc2cccnc12
Nc1cc(N)c2cccnc2c1O
Nc1cc2ccccc2c(O)c1O
Nc1cc(O)c2[nH]nnc2n1
O=C1C(C(=O)c2ccccc12)c1cnc2ccccc2n1
O=C1C(C(=O)c2ccccc12)c1cnc2C=CCCc2n1 |c:17|
O=C1C(C(=O)c2ccccc12)c1ccc2ccccc2n1
[O-][N+](=O)c1ccc2[nH]c(=O)[c-](C3=[NH+]c4ccccc4C3=O)c2c1 |t:11|
O=C1C(C(=O)c2ccccc12)c1nc2ccccc2s1
OC1(O)c2ccccc2C(=O)C1(O)C1(O)C(=O)c2ccccc2C1(O)O
Oc1ccc(NS(=O)(=O)c2ccccc2)cc1-c1c(O)ccc2ccccc12 |(-4.43,.59,;-4.43,2.13,;-5.77,2.9,;-5.77,4.45,;-4.43,5.22,;-4.43,6.76,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-1.77,8.3,;-1.77,9.84,;-.43,10.61,;.9,9.84,;.9,8.3,;-.43,7.53,;-3.1,4.45,;-3.1,2.9,;-1.77,2.13,;-1.77,.59,;-3.1,-.18,;-.43,-.18,;.9,.59,;.9,2.13,;2.23,2.91,;2.23,4.45,;.9,5.22,;-.43,4.45,;-.43,2.91,)|
Oc1ccc(C(=O)COc2ccccc2Cl)c(O)c1
Cc1nnc(SCC(=O)c2ccc(O)cc2O)[nH]1
Nc1cc(N)nc(SCC(=O)Nc2nncs2)n1
Cc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1
CCc1nnc(SCC(=O)c2ccc(O)cc2O)[nH]1
CCc1cc(C(=O)Cc2cscn2)c(O)cc1O
CCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1O
Nc1nonc1NC(=O)CSc1nc(N)cc(N)n1
Nc1cc(N)nc(SCCOc2ccccc2F)n1
COc1ccc(cc1)C(=O)c1c(C)n(C)c(=O)n(C)c1=O
Nc1cc(=O)[nH]c(SCC(=O)c2ccc3OCOc3c2)n1
OCCCNc1cc(=O)oc2ccccc12
CCCC(C)C(=O)Nc1cc(OC)ccc1OC
CC1(C)CC(=O)c2c(O)cc(O)cc2O1
O=c1[nH]c(-c2ccco2)c(C#N)c(=O)[nH]1
Cn1c2nc(Oc3ccc4OCOc4c3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O
Cn1c(NCc2ccc3OCOc3c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c2nc(CN3CCc4ccccc4C3)n(CCCO)c2c(=O)n(C)c1=O
O=C1N(Cc2ccc3OCOc3c2)C(=O)c2ncccc12
O=C1N(Cc2ccc3OCOc3c2)C(=O)c2ccccc12
CCc1cc(C(=O)Cn2cnc3ccccc23)c(O)cc1O
Nc1cc(=O)[nH]c2nnc(SCC#N)n12
COC(=O)c1cc(=O)[nH]c2ccc(C)cc12
COc1cc(NCCN(CC(C)C)CC(C)C)c2ncccc2c1
CCC(C)NCCNc1cc(OC)cc2cccnc12
COc1cc(NCC(O)CN(CC(C)C)CC(C)C)c2nc(C)ccc2c1
CCCC(C)N(CC)CCNc1cc(OC)cc2cccnc12
COc1cc(NS(=O)(=O)c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c2ncccc2c1
COc1cc(N)c2ncccc2c1
COc1cc(NC(C)CCC[NH3+])c2ncccc2c1
CCN(CC)CCCNc1cc(OC)c(Nc2ccccc2)c2cccnc12
COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1OC
COc1cc(NCCCN(CC(C)C)CC(C)C)c2ncccc2c1Cl
COc1cc(NCCCCN)c2ncccc2c1
CCN(CC)CCCC(C)Nc1cc(O)cc2cccnc12
CCN(CC)CCCNc1cc(OC)cc2ccc(OC)nc12
Nc1cc(O)cc2cccnc12
CCC(CC)NCCCNc1cc(OC)cc2cccnc12
COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1
COc1ccc(Oc2c(OC)cc(NCCCCCNC(C)C)c3ncccc23)cc1
CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
CC(C)Sc1nc(SCC(=O)NCc2ccco2)c2c3CC(C)(C)OCc3sc2n1
O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1
CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C
CCOC(=O)C1CCCN(C1)C(=O)c1sc2nc(cn2c1C)-c1ccc(OC)cc1
COC(=O)NCCOC(=O)N(O)c1ccc(Br)cc1
Cc1cc2ccccc2n1CCNC(=O)c1ccccc1
COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)Nc1cccc(C)n1
CCN(CC)c1ccc2cc(NC(=O)CCC(O)=O)c(=O)oc2c1
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc12
Cc1cc2ccccc2n1CCNC(=O)c1cccs1
Cc1cc(NO)nc(n1)-c1ccc(Br)cc1
CCOC(=O)c1sc(NC(=O)c2ccc(C)o2)nc1C
COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC
CC(=O)CSc1nnc(o1)-c1ccc2OCOc2c1
OC(=O)CSCC(=O)Nc1ccc(cc1)C1CCCCC1
Cc1nc2ccc(cc2[nH]1)C(O)=O
COC(=O)c1ccc(COc2ccc(CC=C)cc2OC)o1
CCN(CC)c1ccc(SS(O)(=O)=O)cc1
OC(=O)c1cccnc1SCC(=O)c1ccc2ccccc2c1
Nc1c(cnn1-c1ccc(cc1)C(O)=O)-c1ccccc1
Cc1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:11.12,t:9|
COc1cccc(CNc2cccc(c2)C(O)=O)c1OCC=C
CCCCOc1ccc(cc1)-c1cc(C(=O)NNC(=S)NCC)c2ccccc2n1
Cc1nc(NC(=O)\C=C\c2ccccc2)sc1C(=O)Nc1ccccc1Cl
Cc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)Nc1ccc2CCCc2c1
COC(=O)c1ccc(NC(=O)c2ccc(C)cc2)o1
Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1
CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1
COC(=O)c1ccccc1OCCCOc1ccc(C)cc1OC
COC(=O)c1ccccc1OCCCOc1ccc(C=O)cc1OC
CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:5|
Cc1ccc2nc(NC(=O)CSCC(=O)OCC(=O)c3ccccc3)sc2c1
Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccccc2)n(CC=C)c2nc3ccccc3nc12
O=C1C(Nc2ccccc2)=CC(=NS(=O)(=O)c2cccs2)c2ccccc12 |w:12.13,c:10|
O=C(OCc1ccccn1)c1ccc(COc2ccc3ccccc3c2)o1
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)Cc1ccccc1
CCOc1ccc(cc1)-c1nc(CN(C[C@@H]2CCC(=O)N2)Cc2ccccc2)c(C)o1
CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
COc1cc(\C=C\[N+]([O-])=O)ccc1OCc1cccc(c1)C(O)=O
CCOc1ccc(cc1)-c1nc(CN2CCCCC2CCn2cccn2)c(C)o1
CN(Cc1nc(oc1C)-c1ccc(cc1)-c1ccccc1)C1CCOC1
Cc1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)o1
Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)N1CCCCC1
COc1ccc(cc1)C(=O)Nc1nc(C)c(s1)C(=O)OCC=C
COc1cccc(c1)-c1cc2nc3CCCCc3c(NCC(C)(C)CN(C)C)n2n1
CC1CC(C)CN(CCCNC(=O)C2CCN(CC2)c2nc3c(C)cc(C)cc3s2)C1
OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
CC(C)(C)c1ccc(cc1)C(=O)c1c[nH]c(c1)C(O)=O
OC(=O)c1cccc(NC(=S)NC(NC(=O)c2cccc(c2)[N+]([O-])=O)C(Cl)(Cl)Cl)c1
CC(=O)Nc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:12.12,t:9|
CS(=O)(=O)c1ccc(cc1)-c1cn2cc(ccc2n1)C(O)=O
COc1ccc(cc1)N(N=C1Sc2ccccc2C1=O)C(C)=O |w:9.9|
CCOC(=O)c1csc(NC(=O)c2ccc(OCC)cc2)n1
CC(=O)Oc1ccc(Nc2ccccc2)cc1
Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1CC(F)(F)F
COCC(C)n1c(C)cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c1C
COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1cccs1 |w:7.7|
COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1ccco1 |w:7.7|
COCCn1c(C)cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c1C
Oc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
CCOC(=O)c1csc(NC(=O)c2cc3ccccc3o2)n1
Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1C
CCOC(=O)c1ccc(cc1)-c1ccc(C=O)o1
CC(C)c1ccc(NC(=O)c2coc(=O)c(Br)c2)cc1C
Nc1cc(ccc1O)-c1ccccc1
COC(=O)c1ccc(COc2ccc3CCCc3c2)o1
CCC(C)c1ccc(OCc2ccc(o2)C(=O)OC)cc1
Cc1ccc2oc(=O)c(CC(=O)c3cccs3)nc2c1
Cc1ccc2oc(=O)c(CC(=O)c3ccco3)nc2c1
OC(=O)c1cc(ccc1Cl)N=NCc1cccnc1 |w:10.10|
OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O
CNC(=S)NN=Cc1ccc(o1)-c1ccc(cc1)C(O)=O |w:5.4|
COc1ccccc1NC(=O)c1coc(=O)c(Br)c1
Clc1ccc2oc(=O)c(CC(=O)c3cccs3)nc2c1
Clc1ccc2oc(=O)c(CC(=O)c3ccco3)nc2c1
O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCOc2c1
Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)sc1C(O)=O
Cc1ccc(cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCCOc2c1
CCOC(=O)c1csc(COc2ccc(OC)cc2)n1
Cc1c(-c2nc(no2)-c2ccc(cc2)C(C)(C)C)n(C)oc1=O
Cc1c(-c2nc(no2)-c2ccc(cc2)C(F)(F)F)n(C)oc1=O
COc1cc(ccc1C=O)N1Cc2ccccc2C1
ON(C=c1c(=C)[nH]n(-c2ccccc2)c1=O)c1ccccc1 |w:2.1|
COC(=O)c1ccc(cc1)N=CCC(=O)c1ccccc1 |w:10.10|
CN1C(=O)S\C(=C\c2ccc(OCc3cccc(c3)C(O)=O)cc2)C1=O
COC(=O)c1cc(C)nc2C(=CC(=O)C(=O)c12)N1CCOCC1 |c:10|
CC(=O)CSc1ccc(cn1)-c1nc2ccccc2[nH]1
Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(cc1)C(N)=O |w:13.14|
Cc1cccc(c1)N(O)C(=O)Nc1cccc(Cl)c1
CC(=O)c1ccc(cc1)N=Nc1c(C)[nH]n(-c2ccccc2)c1=O |w:10.11|
COc1ccc(\C=C\c2noc(n2)-c2ccccc2OC(C)=O)cc1
Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
CCc1ccc(OCc2ccc(o2)C(=O)OC)cc1
[O-][N+](=O)\C=C\c1ccc2n(Cc3ccccc3)ccc2c1
CC(=O)Oc1ccccc1\C=C\c1nc2ccccc2c(=O)o1
CN(C)c1ccc(cc1)C1Nc2cccc3cccc(N1)c23
OC(=O)c1cc(ccc1Cl)N=NCc1c[nH]c2ccccc12 |w:11.12|
COc1ccc(cc1)C(=O)Oc1ccc(CN=Nc2ccc(Cl)c(c2)C(O)=O)cc1OC |w:17.18|
ON(c1ccccc1)S(=O)(=O)Cc1ccccc1
CC1CCN(CC1)c1ccc(nn1)-c1cccc(NC(=O)C(F)(F)F)c1
[O-]\[N+](=C/c1ccco1)c1ccc(Cl)cc1
COC(=O)c1ccc2nc(NC(=O)C3CC3)sc2c1
[O-][N+](=O)c1ccc(cc1)\[NH+]=N\c1ncc[n-]1
O=C1NC(=O)\C(N1)=C\c1cn(CC#C)c2ccccc12
Cc1ccc(cc1)C(=O)CSc1ccccc1C(O)=O
COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1ccc(F)cc1 |w:7.7|
COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1ccccc1F |w:7.7|
CCN(CC)c1ccc(cc1)-c1sc(Nc2ccc(CC)cc2)n[n+]1-c1ccccc1
CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
Cc1cc(C)c(c(C)c1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12 |w:12.12,t:15|
Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:10.10,t:13|
COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |w:14.15,t:12|
OC(=O)c1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccccc2F)C(=O)c2ccccc12 |w:12.12,t:15|
COc1ccccc1Nc1nn2c(nc3cc(ccc3c2=O)C(=O)NCc2cccnc2)s1
COC(=O)C1CCN(CC1)C(=O)c1ccc2nc(oc2c1)-c1cccc(OC)c1
COc1ccc(cc1)-c1cc2n(cnn(CC(=O)NCCCN3CCC(Cc4ccccc4)CC3)c2=O)n1
Cc1ccc(OCc2ccc(o2)C(O)=O)cc1C
CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
CCCc1ccc(OCc2ccc(o2)C(=O)N2CCSCC2)cc1
Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |w:11.12,t:9|
Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
Clc1ccccc1C(=O)CN1C(=O)c2ccccc2S1(=O)=O
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCN=C1SCc1ccc(F)cc1 |c:16|
CCOC(=O)c1csc(NC(=O)c2ccc3OCCOc3c2)n1
Nc1nc(N)nc(n1)-c1cc2ccccc2cc1Br
Cc1cc(nc(n1)N)C(F)(F)F
O=C1OCCC1=CNc1ccccc1 |w:6.7|
Cc1cc(nc(N)n1)-c1ccc(Cl)cc1Cl
Nc1nc(Cl)cc(n1)-c1ccc(Cl)cc1Cl
Cc1cc(CNS(=O)(=O)c2ccc(NC=C3CCOC3=O)cc2)nc(N)n1 |w:14.13|
Cc1cc(C=Cc2ccccc2\C=N\N2CCOC2=O)nc(N)n1
Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)c1 |(.68,.63,;2.01,1.4,;2.01,2.94,;3.35,3.71,;4.68,2.94,;5.88,3.91,;7.36,3.51,;8.2,4.8,;7.23,6,;7.63,7.48,;5.8,5.45,;4.46,6.22,;3.13,5.44,;1.79,6.21,;1.79,7.76,;3.13,8.53,;3.13,10.06,;4.46,10.84,;5.8,10.07,;5.8,8.52,;4.46,7.76,;4.68,1.4,;6.01,.63,;3.35,.63,)|
Oc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)c(O)c1
CCOC(=O)NCc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(O)cc1O
CCc1cc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)cc1O |(-.66,2.94,;.68,3.71,;2.01,2.94,;3.35,3.71,;4.68,2.94,;5.88,3.91,;7.36,3.51,;8.2,4.8,;7.23,6,;7.63,7.48,;5.8,5.45,;4.46,6.22,;3.13,5.44,;1.79,6.21,;1.79,7.76,;3.13,8.53,;3.13,10.07,;4.46,10.84,;5.8,10.07,;5.8,8.53,;4.46,7.76,;4.68,1.4,;6.01,.63,;3.35,.63,;2.01,1.4,;.68,.63,)|
CC(C)c1cc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)cc1O |(-.66,2.94,;.68,3.71,;.68,5.25,;2.01,2.94,;3.35,3.71,;4.68,2.94,;5.88,3.91,;7.36,3.51,;8.2,4.8,;7.23,6,;7.63,7.48,;5.8,5.45,;4.46,6.22,;3.13,5.44,;1.79,6.21,;1.79,7.76,;3.13,8.53,;3.13,10.07,;4.46,10.84,;5.8,10.07,;5.8,8.53,;4.46,7.76,;4.68,1.4,;6.01,.63,;3.35,.63,;2.01,1.4,;.68,.63,)|
CCOC(=O)NCc1ccc(cc1)-n1c(n[nH]c1=S)-c1cc(C(C)C)c(O)cc1O
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOC[C@H](N)CO)=N1 |r,c:35|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(CO)CO)=N1 |r,c:36|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC[C@H](C)CO)=N1 |r,c:36|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOC[C@H]2COCCO2)=N1 |r,c:38|
CO[C@@H]1OC(CONC2=N[C@H](Cc3nc(N)nc(C)c23)c2ccc(F)cc2-c2cccc(OC)n2)[C@@H](O)[C@H]1O |r,t:8|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOC2C[C@H](O)[C@H](O)C2)=N1 |r,c:38|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC2C[C@H](O)[C@H](O)C2)=N1 |r,c:39|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NO)=N1 |r,c:30|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC2CC[C@H](O)CC2)=N1 |r,wU:15.16,wD:32.35,c:39,(-4.67,-5.52,;-3.33,-4.75,;-2,-5.52,;-2,-7.06,;-.67,-7.83,;.67,-7.06,;.67,-5.52,;-.67,-4.75,;2,-4.75,;3.33,-5.52,;4.67,-4.75,;6,-5.52,;4.67,-3.21,;3.33,-2.44,;2,-3.21,;.67,-2.44,;-.67,-3.21,;-2,-2.44,;-3.33,-3.21,;-4.67,-2.44,;-6,-3.21,;-4.67,-.9,;-3.33,-.13,;-3.33,1.41,;-2,-.9,;-.67,-.13,;-.67,1.41,;.67,2.18,;.67,3.72,;2,4.49,;2,6.03,;3.33,6.8,;4.67,6.03,;6,6.8,;4.67,4.49,;3.33,3.72,;.67,-.9,)|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCCC[C@H](O)CO)=N1 |r,c:37|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCCCO)=N1 |r,c:34|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCCCCO)=N1 |r,c:35|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(=O)N(C)C)=N1 |r,c:36|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(=O)N2CC[C@@H](F)C2)=N1 |r,c:40|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NO[C@@H](CCO)C(=O)N(C)C)=N1 |r,c:39|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(=O)N(C)C[C@H](O)CO)=N1 |r,c:40|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(=O)N(C)CCO)=N1 |r,c:38|
NC(=O)c1ccc(cc1N[C@H]1CC[C@H](O)CC1)-n1nc(c2c(ccnc12)-c1cnc2ccccc2c1)C(F)(F)F |wU:10.10,wD:13.14,(13.69,.23,;12.66,1.37,;13.13,2.84,;11.15,1.05,;10.12,2.2,;8.61,1.88,;8.14,.41,;9.17,-.73,;10.67,-.41,;11.7,-1.56,;11.23,-3.02,;12.26,-4.17,;11.78,-5.63,;10.28,-5.95,;9.8,-7.42,;9.25,-4.81,;9.72,-3.34,;6.63,.09,;6,-1.32,;4.47,-1.15,;4.15,.35,;2.82,1.12,;2.82,2.66,;4.15,3.43,;5.49,2.66,;5.49,1.12,;1.49,.35,;1.49,-1.19,;.15,-1.96,;-1.18,-1.19,;-2.52,-1.96,;-3.85,-1.19,;-3.85,.35,;-2.52,1.12,;-1.18,.35,;.15,1.12,;3.44,-2.3,;2.41,-3.44,;4.59,-3.33,;2.3,-1.27,)|
Cc1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 |wU:13.12,wD:16.16,(3.24,-2.21,;4.27,-1.06,;5.8,-1.22,;6.43,.18,;7.93,.5,;8.41,1.97,;9.92,2.29,;10.95,1.14,;12.45,1.46,;13.48,.32,;12.93,2.93,;10.47,-.32,;11.5,-1.47,;11.02,-2.93,;12.05,-4.08,;11.58,-5.54,;10.07,-5.86,;9.6,-7.32,;9.04,-4.72,;9.52,-3.25,;8.96,-.64,;5.28,1.21,;5.28,2.75,;3.95,3.52,;2.61,2.75,;2.61,1.21,;1.28,.44,;1.28,-1.1,;-.05,-1.87,;-1.39,-1.1,;-2.72,-1.87,;-4.05,-1.1,;-4.05,.44,;-2.72,1.21,;-1.39,.44,;-.05,1.21,;3.95,.44,)|
CCc1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 |wU:14.13,wD:17.17,(3.79,-3.7,;3.31,-2.24,;4.34,-1.1,;5.87,-1.26,;6.5,.15,;8,.47,;8.48,1.93,;9.99,2.26,;11.02,1.11,;12.52,1.43,;13.55,.29,;13,2.9,;10.54,-.35,;11.57,-1.5,;11.1,-2.96,;12.13,-4.11,;11.65,-5.57,;10.14,-5.89,;9.67,-7.36,;9.11,-4.75,;9.59,-3.28,;9.04,-.67,;5.35,1.18,;5.35,2.72,;4.02,3.49,;2.69,2.72,;2.69,1.18,;1.35,.41,;1.35,-1.13,;.02,-1.9,;-1.31,-1.13,;-2.65,-1.9,;-3.98,-1.13,;-3.98,.41,;-2.65,1.18,;-1.31,.41,;.02,1.18,;4.02,.41,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2ccnc(-c3cnc4ccccc4c3)c12 |wU:15.14,wD:18.18,(-.74,2.87,;.29,1.73,;-.19,.27,;1.79,2.05,;2.42,3.46,;3.95,3.3,;4.98,4.44,;4.51,5.91,;5.54,7.05,;7.04,6.73,;8.07,7.87,;9.58,7.55,;7.6,9.34,;7.52,5.26,;9.02,4.94,;9.5,3.48,;11.01,3.16,;11.48,1.7,;10.45,.55,;10.93,-.91,;8.95,.87,;8.47,2.34,;6.49,4.12,;4.27,1.79,;5.61,1.02,;5.61,-.52,;4.27,-1.29,;2.94,-.52,;1.6,-1.29,;1.6,-2.83,;.27,-3.6,;-1.06,-2.83,;-2.4,-3.6,;-3.73,-2.83,;-3.73,-1.29,;-2.4,-.52,;-1.06,-1.29,;.27,-.52,;2.94,1.02,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2cncc(-c3cnc4ccccc4c3)c12 |wU:15.14,wD:18.18,(3.85,-3.74,;3.38,-2.27,;1.87,-1.95,;4.41,-1.13,;5.94,-1.29,;6.57,.12,;8.07,.44,;8.55,1.9,;10.05,2.22,;11.09,1.08,;12.59,1.4,;13.62,.26,;13.07,2.87,;10.61,-.38,;11.64,-1.53,;11.16,-2.99,;12.19,-4.14,;11.72,-5.6,;10.21,-5.92,;9.74,-7.39,;9.18,-4.78,;9.66,-3.31,;9.1,-.7,;5.42,1.15,;5.42,2.69,;4.09,3.46,;2.75,2.69,;2.75,1.15,;1.42,.38,;1.42,-1.16,;.09,-1.93,;-1.25,-1.16,;-2.58,-1.93,;-3.91,-1.16,;-3.91,.38,;-2.58,1.15,;-1.25,.38,;.09,1.15,;4.09,.38,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 |wU:15.14,wD:18.18,(3.85,-3.74,;3.38,-2.27,;1.87,-1.95,;4.41,-1.13,;5.94,-1.29,;6.57,.12,;8.07,.44,;8.55,1.9,;10.05,2.22,;11.09,1.08,;12.59,1.4,;13.62,.26,;13.07,2.87,;10.61,-.38,;11.64,-1.53,;11.16,-2.99,;12.19,-4.14,;11.72,-5.6,;10.21,-5.92,;9.74,-7.39,;9.18,-4.78,;9.66,-3.31,;9.1,-.7,;5.42,1.15,;5.42,2.69,;4.09,3.46,;2.75,2.69,;2.75,1.15,;1.42,.38,;1.42,-1.16,;.09,-1.93,;-1.25,-1.16,;-2.58,-1.93,;-3.91,-1.16,;-3.91,.38,;-2.58,1.15,;-1.25,.38,;.09,1.15,;4.09,.38,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3cccnc3)c12 |wU:15.14,wD:18.18,(-1.58,4.2,;-.07,3.88,;.96,5.03,;.4,2.42,;-.5,1.17,;.4,-.07,;-.07,-1.54,;.96,-2.68,;.48,-4.15,;-1.02,-4.47,;-1.5,-5.93,;-3,-6.25,;-.47,-7.08,;-2.05,-3.32,;-3.56,-3.64,;-4.59,-2.5,;-6.1,-2.82,;-7.13,-1.68,;-6.65,-.21,;-7.68,.93,;-5.14,.11,;-4.11,-1.03,;-1.58,-1.86,;1.87,.4,;3.2,-.37,;4.54,.4,;4.54,1.94,;3.2,2.71,;3.2,4.25,;1.87,5.02,;1.87,6.56,;3.2,7.33,;4.54,6.56,;4.54,5.02,;1.87,1.94,)|
COc1cncc(c1)-c1ccnc2n(nc(C(C)C)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |wU:29.31,wD:32.35,(.4,8.79,;.4,7.25,;1.73,6.48,;3.07,7.25,;4.4,6.48,;4.4,4.94,;3.07,4.17,;1.73,4.94,;3.07,2.63,;4.4,1.86,;4.4,.32,;3.07,-.45,;1.73,.32,;.27,-.16,;-.64,1.09,;.27,2.33,;-.21,3.8,;-1.71,4.12,;.82,4.94,;1.73,1.86,;-.21,-1.62,;.82,-2.77,;.35,-4.23,;-1.16,-4.55,;-1.64,-6.02,;-3.14,-6.34,;-.61,-7.16,;-2.19,-3.41,;-3.7,-3.73,;-4.73,-2.58,;-6.23,-2.9,;-7.26,-1.76,;-6.79,-.29,;-7.82,.85,;-5.28,.03,;-4.25,-1.12,;-1.71,-1.94,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3cnc4[nH]ccc4c3)c12 |wU:15.14,wD:18.18,(2.73,-1.88,;2.26,-.42,;.75,-.1,;3.29,.73,;4.82,.57,;5.45,1.97,;6.95,2.29,;7.43,3.76,;8.93,4.08,;9.96,2.93,;11.47,3.25,;12.5,2.11,;11.95,4.72,;9.49,1.47,;10.52,.33,;10.04,-1.14,;11.07,-2.28,;10.6,-3.75,;9.09,-4.07,;8.62,-5.53,;8.06,-2.92,;8.54,-1.46,;7.98,1.15,;4.3,3,;4.3,4.54,;2.97,5.31,;1.63,4.54,;1.63,3,;.3,2.23,;.3,.69,;-1.03,-.08,;-2.37,.69,;-3.83,.22,;-4.74,1.46,;-3.83,2.71,;-2.37,2.23,;-1.03,3,;2.97,2.23,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3cnc4n(C)ccc4c3)c12 |wU:15.14,wD:18.18,(2.79,-1.9,;2.32,-.43,;.81,-.11,;3.35,.71,;4.88,.55,;5.51,1.96,;7.01,2.28,;7.49,3.74,;8.99,4.06,;10.03,2.92,;11.53,3.24,;12.56,2.09,;12.01,4.7,;9.55,1.45,;10.58,.31,;10.1,-1.16,;11.13,-2.3,;10.66,-3.77,;9.15,-4.09,;8.68,-5.55,;8.12,-2.94,;8.6,-1.48,;8.04,1.13,;4.36,2.99,;4.36,4.53,;3.03,5.3,;1.69,4.53,;1.69,2.99,;.36,2.22,;.36,.68,;-.97,-.09,;-2.31,.68,;-3.77,.2,;-4.25,-1.26,;-4.68,1.45,;-3.77,2.69,;-2.31,2.22,;-.97,2.99,;3.03,2.22,)|
COc1ccc(cn1)-c1ccnc2n(nc(C(C)C)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |wU:29.31,wD:32.35,(1.77,9.62,;3.1,8.85,;3.1,7.31,;1.77,6.54,;1.77,5,;3.1,4.23,;4.44,5,;4.44,6.54,;3.1,2.69,;4.44,1.92,;4.44,.38,;3.1,-.39,;1.77,.38,;.3,-.1,;-.6,1.15,;.3,2.4,;-.17,3.86,;-1.68,4.18,;.86,5,;1.77,1.92,;-.17,-1.56,;.86,-2.71,;.38,-4.17,;-1.12,-4.49,;-1.6,-5.95,;-3.11,-6.27,;-.57,-7.1,;-2.15,-3.35,;-3.66,-3.67,;-4.69,-2.52,;-6.2,-2.84,;-7.23,-1.7,;-6.75,-.23,;-7.78,.91,;-5.25,.09,;-4.22,-1.06,;-1.68,-1.88,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3cnc4CCCCc4c3)c12 |wU:15.14,wD:18.18,(3.85,-3.74,;3.38,-2.27,;1.87,-1.95,;4.41,-1.13,;5.94,-1.29,;6.57,.12,;8.07,.44,;8.55,1.9,;10.05,2.22,;11.09,1.08,;12.59,1.4,;13.62,.26,;13.07,2.87,;10.61,-.38,;11.64,-1.53,;11.16,-2.99,;12.19,-4.14,;11.72,-5.6,;10.21,-5.92,;9.74,-7.39,;9.18,-4.78,;9.66,-3.31,;9.1,-.7,;5.42,1.15,;5.42,2.69,;4.09,3.46,;2.75,2.69,;2.75,1.15,;1.42,.38,;1.42,-1.16,;.09,-1.93,;-1.25,-1.16,;-2.58,-1.93,;-3.91,-1.16,;-3.91,.38,;-2.58,1.15,;-1.25,.38,;.09,1.15,;4.09,.38,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(NCc3ccccc3)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NCCN3CCCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12
CSCCCNc1cc(ccc1C(N)=O)-n1nc(C(C)C)c2c(ccnc12)-c1cnc2ccccc2c1
CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCN(C)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NCC(C)(C)C)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NCCN(C)C)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NCCc3ccccn3)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NCCCN(C)C)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NCCN3CCOCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(Nc3ccc(cc3)N3CCOCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(Nc3ccc(cc3)C(=O)N3CCCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(Nc3ccc(CN4CCCC4)cc3)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-n3ccnc3)c12 |wU:15.14,wD:18.18,(-.43,5.94,;1.07,5.62,;2.11,6.76,;1.55,4.15,;.65,2.91,;1.55,1.66,;1.07,.2,;2.11,-.95,;1.63,-2.41,;.12,-2.73,;-.35,-4.2,;.68,-5.34,;-1.86,-4.52,;-.91,-1.59,;-2.41,-1.91,;-3.44,-.76,;-4.95,-1.08,;-5.98,.06,;-5.51,1.52,;-6.54,2.67,;-4,1.85,;-2.97,.7,;-.43,-.12,;3.02,2.14,;4.35,1.37,;5.68,2.14,;5.68,3.68,;4.35,4.45,;4.35,5.99,;5.59,6.89,;5.12,8.36,;3.58,8.36,;3.1,6.89,;3.02,3.68,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-n3cnc(c3)-c3ccccc3)c12 |wU:15.14,wD:18.18,(-1.81,4.15,;-.3,3.83,;.73,4.98,;.17,2.37,;-.73,1.12,;.17,-.12,;-.3,-1.59,;.73,-2.73,;.25,-4.2,;-1.26,-4.52,;-1.73,-5.98,;-3.24,-6.3,;-.7,-7.13,;-2.29,-3.37,;-3.79,-3.69,;-4.82,-2.55,;-6.33,-2.87,;-7.36,-1.73,;-6.88,-.26,;-7.92,.88,;-5.38,.06,;-4.35,-1.09,;-1.81,-1.91,;1.64,.35,;2.97,-.42,;4.3,.35,;4.3,1.89,;2.97,2.66,;2.97,4.2,;1.72,5.11,;2.2,6.57,;3.74,6.57,;4.22,5.11,;4.64,7.82,;4.02,9.22,;4.92,10.47,;6.46,10.31,;7.08,8.9,;6.18,7.66,;1.64,1.89,)|
CC(C)c1nn(-c2ccc(cc2Cl)C(N)=O)c2nccc(-c3cnc4ccccc4c3)c12
Cc1cn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 |wU:13.12,wD:16.16,(3.24,-2.21,;4.27,-1.06,;5.8,-1.22,;6.43,.18,;7.93,.5,;8.41,1.97,;9.92,2.29,;10.95,1.14,;12.45,1.46,;13.48,.32,;12.93,2.93,;10.47,-.32,;11.5,-1.47,;11.02,-2.93,;12.05,-4.08,;11.58,-5.54,;10.07,-5.86,;9.6,-7.32,;9.04,-4.72,;9.52,-3.25,;8.96,-.64,;5.28,1.21,;5.28,2.75,;3.95,3.52,;2.61,2.75,;2.61,1.21,;1.28,.44,;1.28,-1.1,;-.05,-1.87,;-1.39,-1.1,;-2.72,-1.87,;-4.05,-1.1,;-4.05,.44,;-2.72,1.21,;-1.39,.44,;-.05,1.21,;3.95,.44,)|
CCc1cn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 |wU:14.13,wD:17.17,(.94,-3.21,;.47,-1.74,;1.5,-.6,;3.03,-.76,;3.66,.65,;5.16,.97,;5.64,2.43,;7.15,2.75,;8.18,1.61,;9.68,1.93,;10.16,3.4,;10.71,.79,;7.7,.15,;8.73,-1,;8.25,-2.46,;9.28,-3.61,;8.81,-5.07,;7.3,-5.39,;6.83,-6.86,;6.27,-4.25,;6.75,-2.78,;6.19,-.17,;2.51,1.68,;2.51,3.22,;1.18,3.99,;-.15,3.22,;-.15,1.68,;-1.49,.91,;-1.49,-.63,;-2.82,-1.4,;-4.16,-.63,;-5.49,-1.4,;-6.82,-.63,;-6.82,.91,;-5.49,1.68,;-4.16,.91,;-2.82,1.68,;1.18,.91,)|
NC(=O)c1ccc(cc1N[C@H]1CC[C@H](O)CC1)-n1cc(c2c(ccnc12)-c1cnc2ccccc2c1)C(F)(F)F |wU:10.10,wD:13.14,(13.69,.23,;12.66,1.37,;13.13,2.84,;11.15,1.05,;10.12,2.2,;8.61,1.88,;8.14,.41,;9.17,-.73,;10.67,-.41,;11.7,-1.56,;11.23,-3.02,;12.26,-4.17,;11.78,-5.63,;10.28,-5.95,;9.8,-7.42,;9.25,-4.81,;9.72,-3.34,;6.63,.09,;6,-1.32,;4.47,-1.15,;4.15,.35,;2.82,1.12,;2.82,2.66,;4.15,3.43,;5.49,2.66,;5.49,1.12,;1.49,.35,;1.49,-1.19,;.15,-1.96,;-1.18,-1.19,;-2.52,-1.96,;-3.85,-1.19,;-3.85,.35,;-2.52,1.12,;-1.18,.35,;.15,1.12,;3.44,-2.3,;2.41,-3.44,;4.59,-3.33,;2.3,-1.27,)|
CCCc1cn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 |wU:15.14,wD:18.18,(2.82,-4.88,;3.85,-3.74,;3.38,-2.27,;4.41,-1.13,;5.94,-1.29,;6.57,.12,;8.07,.44,;8.55,1.9,;10.05,2.22,;11.09,1.08,;12.59,1.4,;13.62,.26,;13.07,2.87,;10.61,-.38,;11.64,-1.53,;11.16,-2.99,;12.19,-4.14,;11.72,-5.6,;10.21,-5.92,;9.74,-7.39,;9.18,-4.78,;9.66,-3.31,;9.1,-.7,;5.42,1.15,;5.42,2.69,;4.09,3.46,;2.75,2.69,;2.75,1.15,;1.42,.38,;1.42,-1.16,;.09,-1.93,;-1.25,-1.16,;-2.58,-1.93,;-3.91,-1.16,;-3.91,.38,;-2.58,1.15,;-1.25,.38,;.09,1.15,;4.09,.38,)|
NC(=O)c1ccc(cc1N[C@H]1CC[C@H](O)CC1)-n1cc(C=C)c2c(ccnc12)-c1cnc2ccccc2c1 |wU:10.10,wD:13.14,(13.55,.29,;12.52,1.43,;13,2.9,;11.02,1.11,;9.99,2.26,;8.48,1.93,;8,.47,;9.04,-.67,;10.54,-.35,;11.57,-1.5,;11.1,-2.96,;12.13,-4.11,;11.65,-5.57,;10.14,-5.89,;9.67,-7.36,;9.11,-4.75,;9.59,-3.28,;6.5,.15,;5.87,-1.26,;4.34,-1.1,;3.31,-2.24,;3.79,-3.7,;4.02,.41,;2.69,1.18,;2.69,2.72,;4.02,3.49,;5.35,2.72,;5.35,1.18,;1.35,.41,;1.35,-1.13,;.02,-1.9,;-1.31,-1.13,;-2.65,-1.9,;-3.98,-1.13,;-3.98,.41,;-2.65,1.18,;-1.31,.41,;.02,1.18,)|
Cc1cn(-c2ccc(C(N)=O)c(NC3CCOCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12
Cc1cn(-c2ccc(C(N)=O)c(NCCCCO)c2)c2nccc(-c3cnc4ccccc4c3)c12
Cc1cn(-c2ccc(C(N)=O)c(NCC(C)(C)O)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)NCCCNc1cc(ccc1C(N)=O)-n1cc(C)c2c(ccnc12)-c1cnc2ccccc2c1
Cc1cn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](N)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 |wU:13.12,wD:16.16,(3.24,-2.21,;4.27,-1.06,;5.8,-1.22,;6.43,.18,;7.93,.5,;8.41,1.97,;9.92,2.29,;10.95,1.14,;12.45,1.46,;13.48,.32,;12.93,2.93,;10.47,-.32,;11.5,-1.47,;11.02,-2.93,;12.05,-4.08,;11.58,-5.54,;10.07,-5.86,;9.6,-7.32,;9.04,-4.72,;9.52,-3.25,;8.96,-.64,;5.28,1.21,;5.28,2.75,;3.95,3.52,;2.61,2.75,;2.61,1.21,;1.28,.44,;1.28,-1.1,;-.05,-1.87,;-1.39,-1.1,;-2.72,-1.87,;-4.05,-1.1,;-4.05,.44,;-2.72,1.21,;-1.39,.44,;-.05,1.21,;3.95,.44,)|
CC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ccc1C(N)=O)-n1cc(C)c2c(ccnc12)-c1cnc2ccccc2c1 |wU:7.10,wD:4.3,(7.06,-5.92,;8.09,-7.06,;7.61,-8.53,;9.6,-6.74,;10.07,-5.28,;11.58,-4.96,;12.05,-3.49,;11.02,-2.35,;9.52,-2.67,;9.04,-4.13,;11.5,-.88,;10.47,.26,;8.96,-.06,;7.93,1.08,;8.41,2.55,;9.91,2.87,;10.94,1.72,;12.45,2.04,;13.48,.9,;12.93,3.51,;6.43,.76,;5.8,-.64,;4.27,-.48,;3.24,-1.63,;3.95,1.02,;2.61,1.79,;2.61,3.33,;3.95,4.1,;5.28,3.33,;5.28,1.79,;1.28,1.02,;1.28,-.52,;-.05,-1.29,;-1.39,-.52,;-2.72,-1.29,;-4.06,-.52,;-4.06,1.02,;-2.72,1.79,;-1.39,1.02,;-.05,1.79,)|
Cc1cn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)NS(C)(=O)=O)c2)c2nccc(-c3cnc4ccccc4c3)c12 |wU:13.12,wD:16.19,(2.9,-1.35,;3.93,-.21,;5.46,-.37,;6.09,1.04,;7.6,1.36,;8.07,2.82,;9.58,3.14,;10.61,2,;12.12,2.32,;13.15,1.17,;12.59,3.78,;10.13,.53,;11.16,-.61,;10.69,-2.08,;11.72,-3.22,;11.24,-4.69,;9.74,-5.01,;8.71,-3.86,;9.18,-2.4,;9.26,-6.47,;10.29,-7.62,;11.32,-8.76,;9.15,-8.65,;11.44,-6.58,;8.63,.21,;4.95,2.07,;4.95,3.61,;3.61,4.38,;2.28,3.61,;2.28,2.07,;.95,1.3,;.95,-.24,;-.39,-1.01,;-1.72,-.24,;-3.06,-1.01,;-4.39,-.24,;-4.39,1.3,;-3.06,2.07,;-1.72,1.3,;-.39,2.07,;3.61,1.3,)|
Cc1cn(-c2ccc(C(N)=O)c(N[C@@H]3CCCC[C@H]3N)c2)c2nccc(-c3cnc4ccccc4c3)c12
Cc1cn(-c2ccc(C(N)=O)c(S[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 |wU:13.12,wD:16.16,(3.24,-2.21,;4.27,-1.06,;5.8,-1.22,;6.43,.18,;7.93,.5,;8.41,1.97,;9.92,2.29,;10.95,1.14,;12.45,1.46,;13.48,.32,;12.93,2.93,;10.47,-.32,;11.5,-1.47,;11.02,-2.93,;12.05,-4.08,;11.58,-5.54,;10.07,-5.86,;9.6,-7.32,;9.04,-4.72,;9.52,-3.25,;8.96,-.64,;5.28,1.21,;5.28,2.75,;3.95,3.52,;2.61,2.75,;2.61,1.21,;1.28,.44,;1.28,-1.1,;-.05,-1.87,;-1.39,-1.1,;-2.72,-1.87,;-4.05,-1.1,;-4.05,.44,;-2.72,1.21,;-1.39,.44,;-.05,1.21,;3.95,.44,)|
CCc1cn(-c2ccc(C(N)=O)c(NC3CCCCC3N)c2)c2nccc(-c3cnc4ccccc4c3)c12
CCc1cn(-c2ccc(C(N)=O)c(NC3CCN(C)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12
CCc1cn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](N)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 |wU:14.13,wD:17.17,(3.79,-3.7,;3.31,-2.24,;4.34,-1.1,;5.87,-1.26,;6.5,.15,;8,.47,;8.48,1.93,;9.99,2.26,;11.02,1.11,;12.52,1.43,;13.55,.29,;13,2.9,;10.54,-.35,;11.57,-1.5,;11.1,-2.96,;12.13,-4.11,;11.65,-5.57,;10.14,-5.89,;9.67,-7.36,;9.11,-4.75,;9.59,-3.28,;9.04,-.67,;5.35,1.18,;5.35,2.72,;4.02,3.49,;2.69,2.72,;2.69,1.18,;1.35,.41,;1.35,-1.13,;.02,-1.9,;-1.31,-1.13,;-2.65,-1.9,;-3.98,-1.13,;-3.98,.41,;-2.65,1.18,;-1.31,.41,;.02,1.18,;4.02,.41,)|
CCc1cn(-c2ccc(C(N)=O)c(NCCN3CCOCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12
CCc1cn(-c2ccc(C(N)=O)c(NCCCCO)c2)c2nccc(-c3cnc4ccccc4c3)c12
CCNCCNc1cc(ccc1C(N)=O)-n1cc(CC)c2c(ccnc12)-c1cnc2ccccc2c1
CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCNCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(c2)N(C2CCNCC2)C(C)=O)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCN(CC3)C(=O)c3cc(=O)[nH]c(=O)[nH]3)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCN(CC3)C(=O)CN)c2)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(cc2C)C(N)=O)c2nccc(-c3cnc4ccccc4c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(C)c2)c2nccc(-c3cnc4ccccc4c3)c12
Cc1cc(ccc1-n1nc(c2c(ccnc12)-c1cnc2ccccc2c1)C(F)(F)F)C(N)=O
COc1ccc(cc1)-c1cn(cn1)-c1ccnc2n(nc(C(C)C)c12)-c1ccc(C(N)=O)c(c1)N(O)C1CCCCC1
CC(C)c1nn(-c2ccc(C(N)=O)c(c2)N(O)C2CCCCC2)c2nccc(-n3cnc(c3)-c3cccnc3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(c2)N(O)C2CCCCC2)c2nccc(-n3cnc(c3)-c3ccncc3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(c2)N(O)C2CCCCC2)c2nccc(-n3cnc(c3)-c3cncnc3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(c2)N(O)C2CCCCC2)c2nccc(-n3cnc(c3C)-c3cccnc3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(c3)-c3ccco3)c12 |(-3.45,3.8,;-1.94,3.48,;-.91,4.63,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.37,-6.33,;-2.34,-7.48,;-4.87,-6.65,;-3.92,-3.73,;-5.43,-4.05,;-6.46,-2.9,;-7.97,-3.22,;-9,-2.08,;-8.52,-.61,;-9.55,.53,;-7.01,-.29,;-5.98,-1.44,;-3.45,-2.26,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;.09,4.76,;.56,6.22,;2.1,6.22,;2.58,4.76,;3.01,7.47,;2.53,8.93,;3.78,9.84,;5.02,8.93,;4.55,7.47,;,1.54,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(c2)N(O)C2CCCCC2)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(c3)-c3ccoc3)c12 |(-3.45,3.8,;-1.94,3.48,;-.91,4.63,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.37,-6.33,;-2.34,-7.48,;-4.87,-6.65,;-3.92,-3.73,;-5.43,-4.05,;-6.46,-2.9,;-7.97,-3.22,;-9,-2.08,;-8.52,-.61,;-9.55,.53,;-7.01,-.29,;-5.98,-1.44,;-3.45,-2.26,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;.09,4.76,;.56,6.22,;2.1,6.22,;2.58,4.76,;3.01,7.47,;2.53,8.93,;3.78,9.84,;5.02,8.93,;4.55,7.47,;,1.54,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(c3)-n3ccnc3)c12 |(-3.45,3.8,;-1.94,3.48,;-.91,4.63,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.37,-6.33,;-2.34,-7.48,;-4.87,-6.65,;-3.92,-3.73,;-5.43,-4.05,;-6.46,-2.9,;-7.97,-3.22,;-9,-2.08,;-8.52,-.61,;-9.55,.53,;-7.01,-.29,;-5.98,-1.44,;-3.45,-2.26,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;.09,4.76,;.56,6.22,;2.1,6.22,;2.58,4.76,;3.01,7.47,;4.55,7.47,;5.02,8.93,;3.78,9.84,;2.53,8.93,;,1.54,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(c2)N(O)C2CCCCC2)c2nccc(-n3cnc(c3)-c3cnn(Cc4ccccc4)c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(c3)-c3cnn(CCOCc4ccccc4)c3)c12 |(-3.45,3.8,;-1.94,3.48,;-.91,4.63,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.37,-6.33,;-2.34,-7.48,;-4.87,-6.65,;-3.92,-3.73,;-5.43,-4.05,;-6.46,-2.9,;-7.97,-3.22,;-9,-2.08,;-8.52,-.61,;-9.55,.53,;-7.01,-.29,;-5.98,-1.44,;-3.45,-2.26,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;.09,4.76,;.56,6.22,;2.1,6.22,;2.58,4.76,;3.01,7.47,;4.55,7.47,;5.02,8.93,;3.78,9.84,;3.78,11.38,;2.45,12.15,;2.45,13.69,;1.11,14.46,;1.11,16,;-.22,16.77,;-.22,18.31,;1.11,19.08,;2.45,18.31,;2.45,16.77,;2.53,8.93,;,1.54,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(c3)-c3cn[nH]c3)c12 |(-3.45,3.8,;-1.94,3.48,;-.91,4.63,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.37,-6.33,;-2.34,-7.48,;-4.87,-6.65,;-3.92,-3.73,;-5.43,-4.05,;-6.46,-2.9,;-7.97,-3.22,;-9,-2.08,;-8.52,-.61,;-9.55,.53,;-7.01,-.29,;-5.98,-1.44,;-3.45,-2.26,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;.09,4.76,;.56,6.22,;2.1,6.22,;2.58,4.76,;3.01,7.47,;4.55,7.47,;5.02,8.93,;3.78,9.84,;2.53,8.93,;,1.54,)|
Cc1cn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(c3)-c3ccccc3)c12 |(-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.37,-6.33,;-4.87,-6.65,;-2.34,-7.48,;-3.92,-3.73,;-5.43,-4.05,;-6.46,-2.9,;-7.97,-3.22,;-9,-2.08,;-8.52,-.61,;-9.55,.53,;-7.01,-.29,;-5.98,-1.44,;-3.45,-2.26,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;.09,4.76,;.56,6.22,;2.1,6.22,;2.58,4.76,;3.01,7.47,;2.38,8.87,;3.29,10.12,;4.82,9.96,;5.45,8.55,;4.54,7.3,;,1.54,)|
CC(C)c1nn(-c2ccc(cc2Cl)C(N)=O)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(cc2C)C(N)=O)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(cc2C=C)C(N)=O)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O
CCCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O
CC(C)c1nn(-c2ccc(cc2C(C)C)C(N)=O)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(cc2C2CC2)C(N)=O)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(N)c2)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(cc2N)C(N)=O)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CCNc1cc(ccc1C(N)=O)-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1
CNc1cc(ccc1C(N)=O)-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1
CC(C)Nc1cc(ccc1C(N)=O)-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1
CC(C)c1nn(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NCC(F)F)c2)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NCC(F)(F)F)c2)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NCCN3CCCC3)c2)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2cnc(cc2C)C(N)=O)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)Nc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O
CCNc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O
CCCNc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O
CC(C)c1nn(-c2ccc(cc2NCC(F)F)C(N)=O)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(cc2C#N)C(N)=O)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(cc2CN(C)C)C(N)=O)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(cc2CN2CCOCC2)C(N)=O)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
COc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O
CC(C)c1nn(-c2ccc(C(N)=O)c(C)c2C)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(F)c2C)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CCc1c(F)c(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O
CCNc1c(C)c(ccc1C(N)=O)-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1
CCNc1c(CC)c(ccc1C(N)=O)-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1
CCc1c(N)c(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O
CC(C)c1nn(-c2ccc(cc2C)C(N)=O)c2nccc(-n3cnc(c3)-c3cccnc3)c12
CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cccnc1)C(N)=O
CC(C)c1nn(-c2ccc(cc2C(C)C)C(N)=O)c2nccc(-n3cnc(c3)-c3cccnc3)c12
CC(C)c1nn(-c2ccc(cc2C2CC2)C(N)=O)c2nccc(-n3cnc(c3)-c3cccnc3)c12
CCNc1cc(ccc1C(N)=O)-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cccnc1
CC(C)Nc1cc(ccc1C(N)=O)-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cccnc1
CC(C)c1nn(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2nccc(-n3cnc(c3)-c3cccnc3)c12
COc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cccnc1)C(N)=O
CC(C)Nc1cc(ccc1C(N)=O)-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cn[nH]c1
CCNc1cc(ccc1C(N)=O)-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cn[nH]c1
CCn1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(C(C)C)c12)-c1ccc(cc1Cl)C(N)=O
CCNc1cc(ccc1C(N)=O)-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(CC)c1
CCNc1cc(ccc1C(N)=O)-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(c1)C(F)F
CC(C)c1nn(-c2ccc(C(N)=O)c(c2)C(C)C)c2nccc(-n3cnc(c3)-c3cnn(CCO)c3)c12
CC(C)c1nn(-c2ccc(cc2C)C(N)=O)c2nccc(-n3cnc(c3)-c3ccncc3)c12
CC(C)NC(=O)c1ccc(cc1)-c1cn(cn1)-c1ccnc2n(nc(C(C)C)c12)-c1ccc(cc1Cl)C(N)=O
CC(C)c1nn(-c2ccc(cc2Cl)C(N)=O)c2nccc(-n3cnc(c3)-c3ccc(cc3)C(=O)N(C)C)c12
CC(C)c1nn(-c2ccc(cc2Cl)C(N)=O)c2nccc(-n3cnc(c3)-c3ccc(cc3)C(N)=O)c12
Cn1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(c12)C(F)(F)F)-c1ccc(cc1Cl)C(N)=O
Cc1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
CCc1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
CCCc1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
Cn1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(c12)C(F)(F)F)-c1ccc(C(N)=O)c(N)c1
Cn1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(c12)C(F)(F)F)-c1ccc(cc1N)C(N)=O
CN(C)c1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
CC(C)Nc1cc(ccc1C(N)=O)-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F
CCNc1cc(ccc1C(N)=O)-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F
CCNc1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
CCCNc1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
CC(C)Nc1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
Cn1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(c12)C(F)(F)F)-c1ccc(cc1NC1CCC1)C(N)=O
Cn1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(c12)C(F)(F)F)-c1ccc(cc1NC1CCCC1)C(N)=O
Cn1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(c12)C(F)(F)F)-c1ccc(cc1NCC(F)F)C(N)=O
COCCNc1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
Cn1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(c12)C(F)(F)F)-c1ccc(cc1C#N)C(N)=O
Cn1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(c12)C(F)(F)F)-c1ccc(cc1Br)C(N)=O
Cn1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(c12)C(F)(F)F)-c1ccc(cc1F)C(N)=O
Cn1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(c12)C(F)(F)F)-c1ccc(cc1-c1ccccc1)C(N)=O
Cn1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(c12)C(F)(F)F)-c1ccc(cc1C1CC1)C(N)=O
CC(=C)c1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
Cc1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F)C(N)=O
NC(=O)c1ccc(cc1N)-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F
NC(=O)c1ccc(c(N)c1)-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F
CCNc1cc(ccc1C(N)=O)-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F
CC(C)Nc1cc(ccc1C(N)=O)-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F
CCNc1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F)C(N)=O
CC(C)Nc1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F)C(N)=O
NC(=O)c1ccc(c(NC2CCC2)c1)-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F
NC(=O)c1ccc(c(NC2CCCC2)c1)-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F
CCn1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(c12)C(F)(F)F)-c1ccc(cc1N)C(N)=O
CCNc1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cnn(CC)c1)C(F)(F)F)C(N)=O
CC(C)n1cc(cn1)-c1cn(cn1)-c1ccnc2n(nc(c12)C(F)(F)F)-c1ccc(cc1N)C(N)=O
CCNc1cc(ccc1-n1nc(c2c(ccnc12)-n1cnc(c1)-c1cnn(c1)C(C)C)C(F)(F)F)C(N)=O
COc1ccc2ccn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2c1 |(-7.01,1.92,;-7.01,3.46,;-5.68,4.23,;-5.68,5.78,;-4.35,6.55,;-3.01,5.78,;-1.57,6.33,;-.6,5.13,;-1.44,3.84,;-.88,2.4,;-1.97,1.32,;-1.57,-.17,;-.08,-.57,;.31,-2.06,;-.77,-3.15,;1.8,-2.46,;1.01,.52,;2.49,.12,;3.58,1.21,;3.18,2.7,;4.27,3.79,;5.76,3.39,;6.85,4.48,;6.16,1.9,;5.07,.81,;.61,2.01,;-3.01,4.23,;-4.35,3.46,)|
COc1cccc2n(ccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-3.01,8.86,;-4.35,8.09,;-4.35,6.55,;-5.68,5.78,;-5.68,4.23,;-4.35,3.46,;-3.01,4.23,;-1.44,3.84,;-.6,5.13,;-1.57,6.33,;-3.01,5.78,;-.88,2.4,;-1.97,1.32,;-1.57,-.17,;-.08,-.57,;.31,-2.06,;-.77,-3.15,;1.8,-2.46,;1.01,.52,;2.49,.12,;3.58,1.21,;3.18,2.7,;4.27,3.79,;5.76,3.39,;6.85,4.48,;6.16,1.9,;5.07,.81,;.61,2.01,)|
COc1cc2ccn(-c3ccc(C#N)c(NC4CCC(O)CC4)c3)c2cc1OC |(-8.35,5.78,;-7.01,6.55,;-5.68,5.78,;-4.35,6.55,;-3.01,5.78,;-1.57,6.33,;-.6,5.13,;-1.44,3.84,;-.88,2.4,;-1.97,1.32,;-1.57,-.17,;-.08,-.57,;.31,-2.06,;-.77,-3.15,;1.01,.52,;2.49,.12,;3.58,1.21,;3.18,2.7,;4.27,3.79,;5.76,3.39,;6.85,4.48,;6.16,1.9,;5.07,.81,;.61,2.01,;-3.01,4.23,;-4.35,3.46,;-5.68,4.23,;-7.01,3.46,;-7.01,1.92,)|
COc1cc2ccn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2cc1OC |(-8.35,5.78,;-7.01,6.55,;-5.68,5.78,;-4.35,6.55,;-3.01,5.78,;-1.57,6.33,;-.6,5.13,;-1.44,3.84,;-.88,2.4,;-1.97,1.32,;-1.57,-.17,;-.08,-.57,;.31,-2.06,;-.77,-3.15,;1.8,-2.46,;1.01,.52,;2.49,.12,;3.58,1.21,;3.18,2.7,;4.27,3.79,;5.76,3.39,;6.85,4.48,;6.16,1.9,;5.07,.81,;.61,2.01,;-3.01,4.23,;-4.35,3.46,;-5.68,4.23,;-7.01,3.46,;-7.01,1.92,)|
COc1ccc2n(c(C)cc2c1)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-8.35,5.78,;-7.01,6.55,;-5.68,5.78,;-5.68,4.23,;-4.35,3.46,;-3.01,4.23,;-1.44,3.84,;-.6,5.13,;.94,5.13,;-1.57,6.33,;-3.01,5.78,;-4.35,6.55,;-.88,2.4,;-1.97,1.32,;-1.57,-.17,;-.08,-.57,;.31,-2.06,;-.77,-3.15,;1.8,-2.46,;1.01,.52,;2.49,.12,;3.58,1.21,;3.18,2.7,;4.27,3.79,;5.76,3.39,;6.85,4.48,;6.16,1.9,;5.07,.81,;.61,2.01,)|
NC(=O)c1ccc(c(Cl)c1)-n1ccc2ccccc12
CCNc1cc(ccc1C(N)=O)-c1nccc2c(cccc12)-n1cnc(c1)-c1cnn(C)c1
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cncc(N)c1 |(-2.67,-7.31,;-1.33,-6.54,;,-7.31,;-1.33,-5,;-2.67,-4.23,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;6.67,-1.93,;4,-1.93,;2.67,-2.69,;-1.33,-.38,;,.38,;,1.93,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-2.67,.38,;-4,4.23,;-2.67,5,;-2.67,6.54,;-4,7.31,;-5.33,6.54,;-6.67,7.31,;-5.33,5,)|
CCNc1cc(ccc1C(N)=O)-c1cc(nc2c(cccc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(nc(nc12)C(F)(F)F)-c1ccc(C(N)=O)c(N)c1
CC(C)(C)Nc1cc(ccc1C(N)=O)-c1cc(nc2c(cccc12)-c1cnc2ccccc2c1)C(F)(F)F
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cnc2ccccc2c1 |(-2.67,-8.47,;-1.33,-7.7,;,-8.47,;-1.33,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;6.67,-3.08,;4,-3.08,;2.67,-3.85,;-1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-4,3.08,;-2.67,3.85,;-2.67,5.39,;-4,6.16,;-4,7.7,;-5.33,8.47,;-6.67,7.7,;-6.67,6.16,;-5.33,5.39,;-5.33,3.85,)|
Cc1cc2c(cccc2c(n1)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1)-c1cnc2ccccc2c1 |(1.33,1.54,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;-1.33,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-1.33,-6.16,;-1.33,-7.7,;-2.67,-8.47,;,-8.47,;,-5.39,;1.33,-6.16,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;6.67,-3.08,;4,-3.08,;2.67,-3.85,;,-3.85,;-4,3.08,;-2.67,3.85,;-2.67,5.39,;-4,6.16,;-4,7.7,;-5.33,8.47,;-6.67,7.7,;-6.67,6.16,;-5.33,5.39,;-5.33,3.85,)|
Cc1cc2c(cccc2c(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)[n+]1[O-])-c1cnc2ccccc2c1 |(1.33,1.54,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-1.33,-6.16,;-1.33,-7.7,;-2.67,-8.47,;,-8.47,;,-5.39,;1.33,-6.16,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;6.67,-3.08,;4,-3.08,;2.67,-3.85,;,-3.85,;,-.77,;1.33,-1.54,;-4,3.08,;-2.67,3.85,;-2.67,5.39,;-4,6.16,;-4,7.7,;-5.33,8.47,;-6.67,7.7,;-6.67,6.16,;-5.33,5.39,;-5.33,3.85,)|
Cc1ccc2ncc(cc2c1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-7.34,8.47,;-6,7.7,;-4.67,8.47,;-3.33,7.7,;-3.33,6.16,;-2,5.39,;-2,3.85,;-3.33,3.08,;-4.67,3.85,;-4.67,5.39,;-6,6.16,;-3.33,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-.67,-3.08,;-2,-3.85,;-2,-5.39,;-.67,-6.16,;-.67,-7.7,;-2,-8.47,;.67,-8.47,;.67,-5.39,;2,-6.16,;3.33,-5.39,;4.67,-6.16,;6,-5.39,;6,-3.85,;7.34,-3.08,;4.67,-3.08,;3.33,-3.85,;.67,-3.85,)|
Cc1ccc2cc(cnc2c1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-5.33,9.24,;-5.33,7.7,;-6.67,6.93,;-6.67,5.39,;-5.33,4.62,;-5.33,3.08,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-4,6.93,;-4,.77,;-5.33,,;-5.33,-1.54,;-4,-2.31,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;;-1.33,.77,;-2.67,,;-1.33,-3.85,;-2.67,-4.62,;-2.67,-6.16,;-1.33,-6.93,;-1.33,-8.47,;-2.67,-9.24,;,-9.24,;,-6.16,;1.33,-6.93,;2.67,-6.16,;4,-6.93,;5.33,-6.16,;5.33,-4.62,;6.67,-3.85,;4,-3.85,;2.67,-4.62,;,-4.62,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cnc2nc[nH]c2c1 |(-2.76,-8.15,;-1.43,-7.38,;-.09,-8.15,;-1.43,-5.84,;-2.76,-5.07,;-2.76,-3.53,;-1.43,-2.76,;-.09,-3.53,;-.09,-5.07,;1.24,-5.84,;2.57,-5.07,;3.91,-5.84,;5.24,-5.07,;5.24,-3.53,;6.57,-2.76,;3.91,-2.76,;2.57,-3.53,;-1.43,-1.22,;-.09,-.45,;-.09,1.09,;-1.43,1.86,;-2.76,1.09,;-4.1,1.86,;-5.43,1.09,;-5.43,-.45,;-4.1,-1.22,;-2.76,-.45,;-4.1,3.4,;-2.76,4.17,;-2.76,5.71,;-4.1,6.48,;-4.42,7.99,;-5.95,8.15,;-6.57,6.74,;-5.43,5.71,;-5.43,4.17,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cnc2nccnc2c1 |(-2.67,-8.47,;-1.33,-7.7,;,-8.47,;-1.33,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;6.67,-3.08,;4,-3.08,;2.67,-3.85,;-1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-4,3.08,;-2.67,3.85,;-2.67,5.39,;-4,6.16,;-4,7.7,;-5.33,8.47,;-6.67,7.7,;-6.67,6.16,;-5.33,5.39,;-5.33,3.85,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cnc2[nH]ccc2c1 |(-2.76,-8.15,;-1.43,-7.38,;-.09,-8.15,;-1.43,-5.84,;-2.76,-5.07,;-2.76,-3.53,;-1.43,-2.76,;-.09,-3.53,;-.09,-5.07,;1.24,-5.84,;2.57,-5.07,;3.91,-5.84,;5.24,-5.07,;5.24,-3.53,;6.57,-2.76,;3.91,-2.76,;2.57,-3.53,;-1.43,-1.22,;-.09,-.45,;-.09,1.09,;-1.43,1.86,;-2.76,1.09,;-4.1,1.86,;-5.43,1.09,;-5.43,-.45,;-4.1,-1.22,;-2.76,-.45,;-4.1,3.4,;-2.76,4.17,;-2.76,5.71,;-4.1,6.48,;-4.42,7.99,;-5.95,8.15,;-6.57,6.74,;-5.43,5.71,;-5.43,4.17,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cccnc1 |(-3.33,-7.31,;-2,-6.54,;-.67,-7.31,;-2,-5,;-3.33,-4.23,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.93,;2,-2.69,;-2,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-6,.38,;-4.67,-.38,;-3.33,.38,;-4.67,4.23,;-6,5,;-6,6.54,;-4.67,7.31,;-3.33,6.54,;-3.33,5,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cncc(CO)c1 |(-2,-7.31,;-.67,-6.54,;.67,-7.31,;-.67,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;4.67,-5,;6,-4.23,;6,-2.69,;7.34,-1.93,;4.67,-1.93,;3.33,-2.69,;-.67,-.38,;.67,.38,;.67,1.93,;-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,4.23,;-2,5,;-2,6.54,;-3.33,7.31,;-4.67,6.54,;-6,7.31,;-7.34,6.54,;-4.67,5,)|
CC(C)(C)OC(=O)NCCc1cncc(c1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-10.67,6.93,;-9.34,6.16,;-9.34,4.62,;-9.34,7.7,;-8,6.93,;-6.67,6.16,;-6.67,4.62,;-5.33,6.93,;-4,6.16,;-2.67,6.93,;-1.33,6.16,;,6.93,;1.33,6.16,;1.33,4.62,;,3.85,;-1.33,4.62,;,2.31,;-1.33,1.54,;-1.33,,;,-.77,;1.33,,;2.67,-.77,;4,,;4,1.54,;2.67,2.31,;1.33,1.54,;2.67,-2.31,;1.33,-3.08,;1.33,-4.62,;2.67,-5.39,;2.67,-6.93,;1.33,-7.7,;4,-7.7,;4,-4.62,;5.33,-5.39,;6.67,-4.62,;8,-5.39,;9.34,-4.62,;9.34,-3.08,;10.67,-2.31,;8,-2.31,;6.67,-3.08,;4,-3.08,)|
COc1cncc(c1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-7.34,6.54,;-6,7.31,;-4.67,6.54,;-3.33,7.31,;-2,6.54,;-2,5,;-3.33,4.23,;-4.67,5,;-3.33,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-.67,-.38,;.67,.38,;.67,1.93,;-.67,2.69,;-2,1.93,;-.67,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;-2,-7.31,;.67,-7.31,;.67,-4.23,;2,-5,;3.33,-4.23,;4.67,-5,;6,-4.23,;6,-2.69,;7.34,-1.93,;4.67,-1.93,;3.33,-2.69,;.67,-2.69,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-n1cnc(c1)-c1ccncc1 |(-2.08,-8.96,;-.74,-8.19,;.59,-8.96,;-.74,-6.65,;-2.08,-5.88,;-2.08,-4.34,;-.74,-3.57,;.59,-4.34,;.59,-5.88,;1.93,-6.65,;3.26,-5.88,;4.59,-6.65,;5.93,-5.88,;5.93,-4.34,;7.26,-3.57,;4.59,-3.57,;3.26,-4.34,;-.74,-2.03,;.59,-1.26,;.59,.28,;-.74,1.05,;-2.08,.28,;-3.41,1.05,;-4.74,.28,;-4.74,-1.26,;-3.41,-2.03,;-2.08,-1.26,;-3.41,2.59,;-2.16,3.49,;-2.64,4.96,;-4.18,4.96,;-4.66,3.49,;-4.95,6.29,;-4.18,7.63,;-4.95,8.96,;-6.49,8.96,;-7.26,7.63,;-6.49,6.29,)|
CC(=O)Nc1cncc(c1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-8,7.31,;-6.67,6.54,;-6.67,5,;-5.33,7.31,;-4,6.54,;-2.67,7.31,;-1.33,6.54,;-1.33,5,;-2.67,4.23,;-4,5,;-2.67,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;-1.33,1.93,;,-1.93,;-1.33,-2.69,;-1.33,-4.23,;,-5,;,-6.54,;-1.33,-7.31,;1.33,-7.31,;1.33,-4.23,;2.67,-5,;4,-4.23,;5.33,-5,;6.67,-4.23,;6.67,-2.69,;8,-1.93,;5.33,-1.93,;4,-2.69,;1.33,-2.69,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cncc(NC(=O)CO)c1 |(-.67,-7.31,;.67,-6.54,;2,-7.31,;.67,-5,;-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;6,-5,;7.34,-4.23,;7.34,-2.69,;8.67,-1.93,;6,-1.93,;4.67,-2.69,;.67,-.38,;2,.38,;2,1.93,;.67,2.69,;-.67,1.93,;-2,2.69,;-3.33,1.93,;-3.33,.38,;-2,-.38,;-.67,.38,;-2,4.23,;-.67,5,;-.67,6.54,;-2,7.31,;-3.33,6.54,;-4.67,7.31,;-6,6.54,;-6,5,;-7.34,7.31,;-8.67,6.54,;-3.33,5,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nc(CN2CCOCC2)cc2c(cccc12)-c1cnc2ccccc2c1 |(-2.67,-8.47,;-1.33,-7.7,;,-8.47,;-1.33,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;6.67,-3.08,;4,-3.08,;2.67,-3.85,;-1.33,-1.54,;,-.77,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-4,3.08,;-2.67,3.85,;-2.67,5.39,;-4,6.16,;-4,7.7,;-5.33,8.47,;-6.67,7.7,;-6.67,6.16,;-5.33,5.39,;-5.33,3.85,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-n1cnc(c1)-c1cccnc1 |(-2.08,-8.96,;-.74,-8.19,;.59,-8.96,;-.74,-6.65,;-2.08,-5.88,;-2.08,-4.34,;-.74,-3.57,;.59,-4.34,;.59,-5.88,;1.93,-6.65,;3.26,-5.88,;4.59,-6.65,;5.93,-5.88,;5.93,-4.34,;7.26,-3.57,;4.59,-3.57,;3.26,-4.34,;-.74,-2.03,;.59,-1.26,;.59,.28,;-.74,1.05,;-2.08,.28,;-3.41,1.05,;-4.74,.28,;-4.74,-1.26,;-3.41,-2.03,;-2.08,-1.26,;-3.41,2.59,;-2.16,3.49,;-2.64,4.96,;-4.18,4.96,;-4.66,3.49,;-4.95,6.29,;-4.18,7.63,;-4.95,8.96,;-6.49,8.96,;-7.26,7.63,;-6.49,6.29,)|
NCC(=O)OC1CCC(CC1)Nc1cc(ccc1C(N)=O)-c1nccc2c(cccc12)-c1cnc2ccccc2c1 |(8.67,-3.85,;7.34,-3.08,;6,-3.85,;6,-5.39,;4.67,-3.08,;3.33,-3.85,;3.33,-5.39,;2,-6.16,;.67,-5.39,;.67,-3.85,;2,-3.08,;-.67,-6.16,;-2,-5.39,;-2,-3.85,;-3.33,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-3.33,-6.16,;-3.33,-7.7,;-4.67,-8.47,;-2,-8.47,;-3.33,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-7.34,-.77,;-6,-1.54,;-4.67,-.77,;-6,3.08,;-4.67,3.85,;-4.67,5.39,;-6,6.16,;-6,7.7,;-7.34,8.47,;-8.67,7.7,;-8.67,6.16,;-7.34,5.39,;-7.34,3.85,)|
CNc1cncc(c1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-7.34,6.55,;-6,7.31,;-4.67,6.54,;-3.33,7.31,;-2,6.54,;-2,5,;-3.33,4.23,;-4.67,5,;-3.33,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-.67,-.38,;.67,.38,;.67,1.93,;-.67,2.69,;-2,1.93,;-.67,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;-2,-7.31,;.67,-7.31,;.67,-4.23,;2,-5,;3.33,-4.23,;4.67,-5,;6,-4.23,;6,-2.69,;7.34,-1.93,;4.67,-1.93,;3.33,-2.69,;.67,-2.69,)|
CCCNc1cncc(c1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-8.67,6.55,;-7.34,7.32,;-6,6.55,;-4.67,7.31,;-3.33,6.54,;-2,7.31,;-.67,6.54,;-.67,5,;-2,4.23,;-3.33,5,;-2,2.69,;-3.33,1.92,;-3.33,.38,;-2,-.39,;-.67,.38,;.67,-.39,;2,.38,;2,1.92,;.67,2.69,;-.67,1.92,;.67,-1.93,;-.67,-2.7,;-.67,-4.24,;.67,-5.01,;.67,-6.55,;-.67,-7.32,;2,-7.32,;2,-4.24,;3.33,-5.01,;4.67,-4.24,;6,-5.01,;7.34,-4.24,;7.34,-2.7,;8.67,-1.93,;6,-1.93,;4.67,-2.7,;2,-2.7,)|
CN(CCO)CNC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cnc2ccccc2c1 |(-1.96,-6.69,;-.48,-7.09,;-.08,-8.58,;-1.17,-9.67,;-.77,-11.16,;.61,-6,;.21,-4.52,;1.3,-3.43,;2.79,-3.83,;.9,-1.94,;-.58,-1.54,;-.98,-.05,;.11,1.04,;1.59,.64,;1.99,-.85,;3.48,-1.25,;4.57,-.16,;6.06,-.56,;7.15,.53,;6.75,2.02,;7.84,3.11,;5.26,2.42,;4.17,1.33,;-.29,2.52,;.8,3.61,;.4,5.1,;-1.09,5.5,;-2.18,4.41,;-3.67,4.81,;-4.75,3.72,;-4.36,2.23,;-2.87,1.83,;-1.78,2.92,;-4.06,6.3,;-2.98,7.38,;-3.37,8.87,;-4.86,9.27,;-5.26,10.76,;-6.75,11.16,;-7.84,10.07,;-7.44,8.58,;-5.95,8.18,;-5.55,6.69,)|
CN(C)CNC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cnc2ccccc2c1 |(-1.96,-7.98,;-.48,-8.38,;-.08,-9.87,;.61,-7.29,;.21,-5.8,;1.3,-4.72,;2.79,-5.11,;.9,-3.23,;-.58,-2.83,;-.98,-1.34,;.11,-.25,;1.59,-.65,;1.99,-2.14,;3.48,-2.54,;4.57,-1.45,;6.06,-1.85,;7.15,-.76,;6.75,.73,;7.84,1.82,;5.26,1.13,;4.17,.04,;-.29,1.23,;.8,2.32,;.4,3.81,;-1.09,4.21,;-2.18,3.12,;-3.67,3.52,;-4.75,2.43,;-4.36,.94,;-2.87,.54,;-1.78,1.63,;-4.06,5.01,;-2.98,6.1,;-3.37,7.58,;-4.86,7.98,;-5.26,9.47,;-6.75,9.87,;-7.84,8.78,;-7.44,7.29,;-5.95,6.89,;-5.55,5.41,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cnc2cc[nH]c2c1 |(-2.76,-8.15,;-1.43,-7.38,;-.09,-8.15,;-1.43,-5.84,;-2.76,-5.07,;-2.76,-3.53,;-1.43,-2.76,;-.09,-3.53,;-.09,-5.07,;1.24,-5.84,;2.57,-5.07,;3.91,-5.84,;5.24,-5.07,;5.24,-3.53,;6.57,-2.76,;3.91,-2.76,;2.57,-3.53,;-1.43,-1.22,;-.09,-.45,;-.09,1.09,;-1.43,1.86,;-2.76,1.09,;-4.1,1.86,;-5.43,1.09,;-5.43,-.45,;-4.1,-1.22,;-2.76,-.45,;-4.1,3.4,;-2.76,4.17,;-2.76,5.71,;-4.1,6.48,;-4.42,7.99,;-5.95,8.15,;-6.57,6.74,;-5.43,5.71,;-5.43,4.17,)|
Cc1nc2ncc(cc2[nH]1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-6.65,8.82,;-5.88,7.48,;-4.34,7.32,;-4.02,5.81,;-2.69,5.04,;-2.69,3.5,;-4.02,2.73,;-5.36,3.5,;-5.36,5.04,;-6.5,6.07,;-4.02,1.19,;-5.36,.42,;-5.36,-1.12,;-4.02,-1.89,;-2.69,-1.12,;-1.36,-1.89,;-.02,-1.12,;-.02,.42,;-1.36,1.19,;-2.69,.42,;-1.36,-3.43,;-2.69,-4.2,;-2.69,-5.74,;-1.36,-6.51,;-1.36,-8.05,;-2.69,-8.82,;-.02,-8.82,;-.02,-5.74,;1.31,-6.51,;2.64,-5.74,;3.98,-6.51,;5.31,-5.74,;5.31,-4.2,;6.65,-3.43,;3.98,-3.43,;2.64,-4.2,;-.02,-4.2,)|
CCc1nc2ncc(cc2[nH]1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-5.88,9.48,;-6.65,8.15,;-5.88,6.82,;-4.34,6.65,;-4.02,5.15,;-2.69,4.38,;-2.69,2.84,;-4.02,2.07,;-5.36,2.84,;-5.36,4.38,;-6.5,5.41,;-4.02,.53,;-5.36,-.24,;-5.36,-1.78,;-4.02,-2.55,;-2.69,-1.78,;-1.36,-2.55,;-.02,-1.78,;-.02,-.24,;-1.36,.53,;-2.69,-.24,;-1.36,-4.09,;-2.69,-4.86,;-2.69,-6.4,;-1.36,-7.17,;-1.36,-8.71,;-2.69,-9.48,;-.02,-9.48,;-.02,-6.4,;1.31,-7.17,;2.64,-6.4,;3.98,-7.17,;5.31,-6.4,;5.31,-4.86,;6.65,-4.09,;3.98,-4.09,;2.64,-4.86,;-.02,-4.86,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cncnc1 |(-3.33,-7.31,;-2,-6.54,;-.67,-7.31,;-2,-5,;-3.33,-4.23,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.93,;2,-2.69,;-2,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-6,.38,;-4.67,-.38,;-3.33,.38,;-4.67,4.23,;-3.33,5,;-3.33,6.54,;-4.67,7.31,;-6,6.54,;-6,5,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cnc2cc(C=O)ccc2c1 |(-2.67,-9.63,;-1.33,-8.86,;,-9.63,;-1.33,-7.32,;-2.67,-6.55,;-2.67,-5.01,;-1.33,-4.24,;,-5.01,;,-6.55,;1.33,-7.32,;2.67,-6.55,;4,-7.32,;5.33,-6.55,;5.33,-5.01,;6.67,-4.24,;4,-4.24,;2.67,-5.01,;-1.33,-2.7,;,-1.93,;,-.39,;-1.33,.38,;-2.67,-.39,;-4,.38,;-5.33,-.39,;-5.33,-1.93,;-4,-2.7,;-2.67,-1.93,;-4,1.92,;-2.67,2.69,;-2.67,4.23,;-4,5,;-4,6.55,;-5.33,7.32,;-5.33,8.86,;-6.67,9.63,;-6.67,6.55,;-6.67,5,;-5.33,4.23,;-5.33,2.69,)|
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-7.78,8.68,;-6.45,7.91,;-5.97,6.44,;-4.43,6.44,;-3.95,7.91,;-5.2,8.81,;-3.66,5.11,;-4.14,3.64,;-2.89,2.74,;-1.64,3.64,;-2.12,5.11,;-2.89,1.2,;-4.22,.43,;-4.22,-1.11,;-2.89,-1.88,;-1.56,-1.11,;-.22,-1.88,;1.11,-1.11,;1.11,.43,;-.22,1.2,;-1.56,.43,;-.22,-3.42,;-1.56,-4.19,;-1.56,-5.73,;-.22,-6.5,;-.22,-8.04,;-1.56,-8.81,;1.11,-8.81,;1.11,-5.73,;2.44,-6.5,;3.78,-5.73,;5.11,-6.5,;6.45,-5.73,;6.45,-4.19,;7.78,-3.42,;5.11,-3.42,;3.78,-4.19,;1.11,-4.19,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-c1cnc2ccc(CN3CCOCC3)cc2c1 |(-1.33,-10.78,;,-10.01,;1.33,-10.78,;,-8.47,;-1.33,-7.7,;-1.33,-6.16,;,-5.39,;1.33,-6.16,;1.33,-7.7,;2.67,-8.47,;4,-7.7,;5.33,-8.47,;6.67,-7.7,;6.67,-6.16,;8,-5.39,;5.33,-5.39,;4,-6.16,;,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;-2.67,5.39,;-4,6.16,;-5.33,5.39,;-6.67,6.16,;-6.67,7.7,;-5.33,8.47,;-5.33,10.01,;-6.67,10.78,;-8,10.01,;-8,8.47,;-5.33,3.85,;-4,3.08,;-4,1.54,)|
CC(C)Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-9.14,7.61,;-7.66,7.22,;-7.26,5.73,;-6.57,8.3,;-5.08,7.91,;-4.6,6.44,;-3.06,6.44,;-2.59,7.91,;-3.83,8.81,;-2.29,5.11,;-2.77,3.64,;-1.52,2.74,;-.28,3.64,;-.75,5.11,;-1.52,1.2,;-2.86,.43,;-2.86,-1.11,;-1.52,-1.88,;-.19,-1.11,;1.14,-1.88,;2.48,-1.11,;2.48,.43,;1.14,1.2,;-.19,.43,;1.14,-3.42,;-.19,-4.19,;-.19,-5.73,;1.14,-6.5,;1.14,-8.04,;-.19,-8.81,;2.48,-8.81,;2.48,-5.73,;3.81,-6.5,;5.14,-5.73,;6.48,-6.5,;7.81,-5.73,;7.81,-4.19,;9.14,-3.42,;6.48,-3.42,;5.14,-4.19,;2.48,-4.19,)|
CC(C)n1cc(cn1)-c1cn(cn1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-8.4,6.73,;-7.31,7.81,;-7.71,9.3,;-5.82,7.42,;-5.35,5.95,;-3.81,5.95,;-3.33,7.42,;-4.58,8.32,;-3.04,4.62,;-3.51,3.15,;-2.27,2.25,;-1.02,3.15,;-1.5,4.62,;-2.27,.71,;-3.6,-.06,;-3.6,-1.6,;-2.27,-2.37,;-.93,-1.6,;.4,-2.37,;1.73,-1.6,;1.73,-.06,;.4,.71,;-.93,-.06,;.4,-3.91,;-.93,-4.68,;-.93,-6.22,;.4,-6.99,;.4,-8.53,;-.93,-9.3,;1.73,-9.3,;1.73,-6.22,;3.07,-6.99,;4.4,-6.22,;5.73,-6.99,;7.07,-6.22,;7.07,-4.68,;8.4,-3.91,;5.73,-3.91,;4.4,-4.68,;1.73,-4.68,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(cccc12)-n1cnc(Br)c1 |(-3.23,-7.63,;-1.9,-6.86,;-.56,-7.63,;-1.9,-5.32,;-3.23,-4.55,;-3.23,-3.01,;-1.9,-2.24,;-.56,-3.01,;-.56,-4.55,;.77,-5.32,;2.1,-4.55,;3.44,-5.32,;4.77,-4.55,;4.77,-3.01,;6.1,-2.24,;3.44,-2.24,;2.1,-3.01,;-1.9,-.7,;-.56,.07,;-.56,1.61,;-1.9,2.38,;-3.23,1.61,;-4.56,2.38,;-5.9,1.61,;-5.9,.07,;-4.56,-.7,;-3.23,.07,;-4.56,3.92,;-3.32,4.83,;-3.79,6.29,;-5.33,6.29,;-6.1,7.63,;-5.81,4.83,)|
CNC(=O)c1ccc(cn1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(-3.33,9.24,;-3.33,7.7,;-4.67,6.93,;-6,7.7,;-4.67,5.39,;-6,4.62,;-6,3.08,;-4.67,2.31,;-3.33,3.08,;-3.33,4.62,;-4.67,.77,;-6,,;-6,-1.54,;-4.67,-2.31,;-3.33,-1.54,;-2,-2.31,;-.67,-1.54,;-.67,,;-2,.77,;-3.33,,;-2,-3.85,;-3.33,-4.62,;-3.33,-6.16,;-2,-6.93,;-2,-8.47,;-3.33,-9.24,;-.67,-9.24,;-.67,-6.16,;.67,-6.93,;2,-6.16,;3.33,-6.93,;4.67,-6.16,;4.67,-4.62,;6,-3.85,;3.33,-3.85,;2,-4.62,;-.67,-4.62,)|
CNc1cc(ccc1C(N)=O)-c1nccc2c(cccc12)-n1cnc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NCC2CCCO2)c1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NCCc2ccccn2)c1
CC(C)Nc1cc(ccc1C(N)=O)-c1nccc2c(cccc12)-n1cnc(c1)-c1cnn(C)c1
COCCNc1cc(ccc1C(N)=O)-c1nccc2c(cccc12)-n1cnc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC2CCCCCC2)c1
CC(C)Nc1cc(ccc1C(N)=O)-c1cc(nc2c(cccc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(cc(nc12)C(F)(F)F)-c1ccc(C(N)=O)c(NCC2CC2)c1
CCNc1cc(ccc1C(N)=O)-c1nc(C)cc2c(cccc12)-n1cnc(c1)-c1cnn(C)c1
CC(C)Nc1cc(ccc1C(N)=O)-c1nc(C)cc2c(cccc12)-n1cnc(c1)-c1cnn(C)c1
Cc1cc2c(cccc2c(n1)-c1ccc(C(N)=O)c(NCC2CC2)c1)-n1cnc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(cc(nc12)C(F)(F)F)-c1ccc(C(N)=O)c(N)c1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(cc(nc12)C(F)(F)F)-c1ccc(C(N)=O)c(F)c1
Cc1cc2c(cccc2c(n1)-c1ccc(C(N)=O)c(N)c1)-n1cnc(c1)-c1cnn(C)c1
CCNc1cc(ccc1C(N)=O)-c1nccc2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(cc(nc12)C(F)(F)F)-c1ccc(cc1N)C(N)=O
Cc1cc2c(cccc2c(n1)-c1ccc(cc1N)C(N)=O)-n1cnc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(nc(nc12)C(F)(F)F)-c1ccc(cc1N)C(N)=O
CC(C)(C)Nc1cc(ccc1C(N)=O)-c1cc(nc2c(cccc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F
CCNc1cc(ccc1C(N)=O)-c1cc(nc2c(cccc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F
NC(=O)c1ccc(cc1N)-c1cc(nc2c(cccc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(nc(nc12)C(F)(F)F)-c1ccc(C(N)=O)c(NC(C)(C)C)c1
CCNc1cc(ccc1C(N)=O)-c1nc(nc2c(cccc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(cc(nc12)C(F)(F)F)-c1ccc(C(N)=O)c(Cl)c1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(cc(nc12)C(F)(F)F)-c1ccc(nc1)C(N)=O
Cc1cc(ccc1-c1cc(nc2c(cccc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
Cc1cc(ccc1-c1nc(nc2c(cccc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(cc(nc12)C(F)(F)F)-c1ccc(C(N)=O)c(NC(C)(C)C)c1
CCCNc1cc(ccc1-c1cc(nc2c(cccc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
NC(=O)c1ccc(cn1)-c1cc(nc2c(cccc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F
CCNc1cc(ccc1C(N)=O)-c1cc(nc2c(cccc12)-n1cnc(c1)-c1cnn(CC)c1)C(F)(F)F
CCn1cc(cn1)-c1cn(cn1)-c1cccc2c(cc(nc12)C(F)(F)F)-c1ccc(C(N)=O)c(NC(C)(C)C)c1
CCNc1cc(ccc1C(N)=O)-c1cc(nc2c(cccc12)-n1cnc(c1)-c1cnn(c1)C(F)F)C(F)(F)F
CC(C)(C)Nc1cc(ccc1C(N)=O)-c1cc(nc2c(cccc12)-n1cnc(c1)-c1cnn(c1)C(F)F)C(F)(F)F
Cc1cc2c(cccc2c(n1)-c1ccc(C(N)=O)c(NC(C)(C)C)c1)-n1cnc(c1)-c1cnn(C)c1
Cc1cc(ccc1-c1cc(nc2c(cccc12)-n1cnc(c1)-c1cnn(c1)C(F)F)C(F)(F)F)C(N)=O
Cc1cc2c(cccc2c(n1)-c1ccc(cc1C)C(N)=O)-n1cnc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(NC(C)(C)C)c1
Cc1cc(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c2n1
COCCNc1cc(ccc1C(N)=O)-c1nc(C)cc2c(cccc12)-n1cnc(c1)-c1cnn(C)c1
Cc1ccc(cn1)-c1cn(cn1)-c1cccc2c(cc(nc12)C(F)(F)F)-c1ccc(C(N)=O)c(NC(C)(C)C)c1
Cc1ccc(cn1)-c1cn(cn1)-c1cccc2c(cc(nc12)C(F)(F)F)-c1ccc(cc1C)C(N)=O
Cc1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c2n1
Cc1cc(-c2ccc(cc2C)C(N)=O)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c2n1
CCc1cc(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c2n1
CCc1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c2n1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(cc(nc12)C1CC1)-c1ccc(C(N)=O)c(NC(C)(C)C)c1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(cc(nc12)C1CC1)-c1ccc(C(N)=O)c(N)c1
CC(C)(C)Nc1cc(ccc1C(N)=O)-c1cc(nc2c(cccc12)-n1cnc(c1)-c1ccccc1)C(F)(F)F
NC(=O)c1ccc(cc1N)-c1cc(nc2c(cccc12)-n1cnc(c1)-c1ccccc1)C(F)(F)F
CC(C)OCCNc1cc(ccc1C(N)=O)-c1cc(nc2c(cccc12)-n1cnc(c1)-c1ccccc1)C(F)(F)F
NC(=O)c1ccc(cc1N)-c1cc(nc2c(cccc12)-c1cnc2ccccc2c1)C(F)(F)F
CC(C)OCCNc1cc(ccc1C(N)=O)-c1cc(nc2c(cccc12)-c1cnc2ccccc2c1)C(F)(F)F
CC(C)c1cc(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c2n1
CC(C)c1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c2n1
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nc(nc2c(cccc12)-c1cnc2ccccc2c1)C(F)(F)F |(-2.67,-8.47,;-1.33,-7.7,;,-8.47,;-1.33,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;6.67,-3.08,;4,-3.08,;2.67,-3.85,;-1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-4,3.08,;-2.67,3.85,;-2.67,5.39,;-4,6.16,;-4,7.7,;-5.33,8.47,;-6.67,7.7,;-6.67,6.16,;-5.33,5.39,;-5.33,3.85,;1.33,1.54,;2.67,2.31,;.56,2.87,;2.1,.21,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nc(nc2c(cccc12)-c1cnc2ccccc2c1)C1CC1 |(-2.67,-8.47,;-1.33,-7.7,;,-8.47,;-1.33,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;6.67,-3.08,;4,-3.08,;2.67,-3.85,;-1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-4,3.08,;-2.67,3.85,;-2.67,5.39,;-4,6.16,;-4,7.7,;-5.33,8.47,;-6.67,7.7,;-6.67,6.16,;-5.33,5.39,;-5.33,3.85,;1.33,1.54,;2.87,1.54,;2.1,2.87,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1ccnc2c(cccc12)-c1cnc2ccccc2c1 |(-2.67,-8.47,;-1.33,-7.7,;,-8.47,;-1.33,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;6.67,-3.08,;4,-3.08,;2.67,-3.85,;-1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-4,3.08,;-2.67,3.85,;-2.67,5.39,;-4,6.16,;-4,7.7,;-5.33,8.47,;-6.67,7.7,;-6.67,6.16,;-5.33,5.39,;-5.33,3.85,)|
Cc1ccc(cn1)-c1cn(cn1)-c1cccc2c(cc(nc12)C(F)(F)F)-c1ccc(C(N)=O)c(N)c1
CCNc1cc(ccc1C(N)=O)-c1cccc2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1
CCc1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-c3cnc4ccccc4c3)c2n1
CC(C)c1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-c3cnc4ccccc4c3)c2n1
CCc1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(c3)-c3cccnc3)c2n1
CC(C)c1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(c3)-c3cccnc3)c2n1
CCc1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(c3)-c3ccc(C)nc3)c2n1
CC(C)c1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(c3)-c3ccc(C)nc3)c2n1
CC(C)(C)Nc1cc(ccc1C(N)=O)-c1nccc2c(cccc12)-c1cnc2ccccc2c1
CC(C)(C)Nc1cc(ccc1C(N)=O)-c1nccc2c(cccc12)-n1cnc(c1)-c1cccnc1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(nccc12)-c1ccc(C(N)=O)c(N)c1
CC(C)c1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(c3)-c3ccc[n+]([O-])c3)c2n1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(ccnc12)-c1ccc(C(N)=O)c(NC(C)(C)C)c1
CC(C)(C)Nc1cc(ccc1C(N)=O)-c1ccnc2c(cccc12)-n1cnc(c1)-c1cccnc1
Cn1cc(cn1)-c1cn(cn1)-c1cccc2c(ccnc12)-c1ccc(C(N)=O)c(N)c1
NC(=O)c1ccc(cc1N)-c1ccnc2c(cccc12)-n1cnc(c1)-c1cccnc1
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1cccc2c(nccc12)-c1cnc2ccccc2c1 |(-2.67,-8.47,;-1.33,-7.7,;,-8.47,;-1.33,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;6.67,-3.08,;4,-3.08,;2.67,-3.85,;-1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-4,3.08,;-2.67,3.85,;-2.67,5.39,;-4,6.16,;-4,7.7,;-5.33,8.47,;-6.67,7.7,;-6.67,6.16,;-5.33,5.39,;-5.33,3.85,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1cccc2c(ncnc12)-c1cnc2ccccc2c1 |(-2.67,-8.47,;-1.33,-7.7,;,-8.47,;-1.33,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;6.67,-3.08,;4,-3.08,;2.67,-3.85,;-1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-4,3.08,;-2.67,3.85,;-2.67,5.39,;-4,6.16,;-4,7.7,;-5.33,8.47,;-6.67,7.7,;-6.67,6.16,;-5.33,5.39,;-5.33,3.85,)|
CCNc1cc(ccc1C(N)=O)-c1cccc2c(nccc12)-n1cnc(c1)-c1cnn(C)c1
CCNC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
CCNC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(Cl)cc1
CC(C)N1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
Oc1cc(O)c(-c2cc(no2)C(=O)NC2CCN(CC2)C2CCCCC2)c(Oc2ccc(cc2)[N+]([O-])=O)c1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Oc1cc(O)c(-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC(F)(F)CC2)c(Oc2ccc(cc2)[N+]([O-])=O)c1
CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(on2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(on2)C(=O)NC2CCN(C)CC2)cc1
CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCC(C)(C)CO3)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCCCO3)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCCO3)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC3CCCCC3)CC2)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC(F)(F)CC2)cc1
CN1CCC(CC1)NC(=O)c1cc(no1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCCCC2)cc1
CC(C)c1nn(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2cccc(-n3cnc(c3)-c3cccnc3)c12
CC(C)c1nn(-c2ccc(cc2Cl)C(N)=O)c2cccc(-n3cnc(c3)-c3cccnc3)c12
CC(C)c1nn(-c2ccc(cc2C)C(N)=O)c2cccc(-n3cnc(c3)-c3cccnc3)c12
CC(C)c1nn(-c2ccc(cc2Cl)C(N)=O)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c12
CCc1cc(ccc1-n1nc(C(C)C)c2c(cccc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O
CC(C)c1nn(-c2ccc(nc2)C(N)=O)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(cc2C)C(N)=O)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)Nc1cc(ccc1-n1nc(C(C)C)c2c(cccc12)-n1cnc(c1)-c1cccnc1)C(N)=O
CC(C)c1nn(-c2ccc(cc2NC2CCC2)C(N)=O)c2cccc(-n3cnc(c3)-c3cccnc3)c12
CC(C)Nc1cc(ccc1-n1nc(C(C)C)c2c(cccc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O
CC(C)c1nn(-c2ccc(cc2NC2CCC2)C(N)=O)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c12
Cn1cc(cn1)-c1cn(cn1)-c1cccc2n(nc(c12)C(F)(F)F)-c1ccc(C(N)=O)c(NC(C)(C)C)c1
CCNc1cc(ccc1C(N)=O)-n1nc(c2c(cccc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F
CC(C)(C)Nc1cc(ccc1C(N)=O)-n1nc(c2c(cccc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F
Cc1cc(ccc1-n1nc(c2c(cccc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F)C(N)=O
CCc1cc(ccc1-n1nc(c2c(cccc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
CCc1cc(ccc1-n1nc(c2c(cccc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F)C(N)=O
CC(C)Nc1cc(ccc1-n1nc(c2c(cccc12)-n1cnc(c1)-c1cnn(C)c1)C(F)(F)F)C(N)=O
Cn1cc(cn1)-c1cn(cn1)-c1cccc2n(nc(c12)C(F)(F)F)-c1ccc(cc1NC1CCC1)C(N)=O
CC(C)Nc1cc(ccc1-n1nc(c2c(cccc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F)C(N)=O
NC(=O)c1ccc(c(NC2CCC2)c1)-n1nc(c2c(cccc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F
Cn1cc(cn1)-c1cn(cn1)-c1cccc2n(nc(c12)C(F)(F)F)-c1ccc(cc1N)C(N)=O
NC(=O)c1ccc(c(N)c1)-n1nc(c2c(cccc12)-n1cnc(c1)-c1cccnc1)C(F)(F)F
Cc1cn(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c12
Cc1cn(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2cccc(-n3cnc(c3)-c3cccnc3)c12
CCc1cn(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c12
CCCc1cn(-c2ccc(cc2CC)C(N)=O)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c12
CCCc1cn(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c12
CCc1cc(ccc1-n1cc(C(C)C)c2c(cccc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O
CC(C)c1cn(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2cccc(-n3cnc(c3)-c3cnn(C)c3)c12
COc1cc2ccn(-c3ccc(C#N)c(Nc4ccccc4)c3)c2cc1OC
COc1cc2ccn(-c3ccc(C(N)=O)c(Nc4ccccc4)c3)c2cc1OC
COc1ccc2n(c(C)cc2c1)-c1ccc(C(N)=O)c(Nc2ccccc2)c1
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccccc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;3.95,-1.8,;2.48,-1.33,;2.16,.18,;3.31,1.21,;4.77,.73,)|
Cc1ccccc1-c1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(4.27,-3.31,;3.95,-1.8,;2.48,-1.33,;2.16,.18,;3.31,1.21,;4.77,.73,;5.09,-.77,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|
Cc1cccc(c1)-c1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(2.99,2.71,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,;5.09,-.77,;4.77,.73,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|
Cc1ccc(cc1)-c1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(.7,.65,;2.16,.18,;2.48,-1.33,;3.95,-1.8,;5.09,-.77,;4.77,.73,;3.31,1.21,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccccc1Cl |(2.67,4.62,;1.33,3.85,;,4.62,;1.33,2.31,;,1.54,;;1.33,-.77,;2.67,,;2.67,1.54,;4,2.31,;5.33,1.54,;6.67,2.31,;8,1.54,;8,,;9.34,-.77,;6.67,-.77,;5.33,,;1.33,-2.31,;2.58,-3.22,;2.1,-4.68,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;-1.7,-1.23,;-3.16,-.76,;-4.31,-1.79,;-3.99,-3.29,;-2.52,-3.77,;-2.2,-5.28,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1cccc(Cl)c1 |(,4.62,;1.33,3.85,;2.67,4.62,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-5.33,1.54,;-4,2.31,;1.33,-2.31,;.09,-3.22,;.56,-4.68,;2.1,-4.68,;2.58,-3.22,;4.04,-2.74,;5.19,-3.77,;6.65,-3.29,;6.97,-1.79,;5.83,-.76,;6.15,.75,;4.36,-1.23,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccc(Cl)cc1 |(,4.62,;1.33,3.85,;2.67,4.62,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-5.33,1.54,;-4,2.31,;1.33,-2.31,;.09,-3.22,;.56,-4.68,;2.1,-4.68,;2.58,-3.22,;4.04,-2.74,;4.36,-1.23,;5.83,-.76,;6.97,-1.79,;8.44,-1.31,;6.65,-3.29,;5.19,-3.77,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccccn1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;4.77,.73,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1cccnc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;4.77,.73,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccncc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;4.77,.73,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;8.48,-6.42,;7.34,-5.39,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1CCc1ccccc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;10.51,-.77,;11.66,-1.8,;13.12,-1.33,;13.44,.18,;14.91,.65,;16.05,-.38,;15.73,-1.88,;14.27,-2.36,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1Cl |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1cccc(Cl)c1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;11.73,-3.96,;9.12,-3.41,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccc(Cl)cc1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;11.09,-6.98,;8.48,-6.42,;7.34,-5.39,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1F |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1cccc(F)c1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;11.73,-3.96,;9.12,-3.41,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccc(F)cc1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;11.09,-6.98,;8.48,-6.42,;7.34,-5.39,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1Br |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)|
Cc1ccccc1Cc1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(13.44,.18,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;12.48,-4.34,;11.34,-3.31,;11.66,-1.8,;10.51,-.77,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1O |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1cccc(O)c1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;11.73,-3.96,;9.12,-3.41,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccc(O)cc1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;11.09,-6.98,;8.48,-6.42,;7.34,-5.39,)|
COc1ccccc1Cc1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(14.91,.65,;13.44,.18,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;12.48,-4.34,;11.34,-3.31,;11.66,-1.8,;10.51,-.77,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|
NC(=O)c1ccc(cc1N[C@H]1CC[C@H](O)CC1)-n1cccc1Cc1c(F)cccc1F |r,wU:10.10,wD:13.14,(21.96,-8.2,;20.62,-7.43,;19.29,-8.2,;20.62,-5.89,;21.96,-5.12,;21.96,-3.58,;20.62,-2.81,;19.29,-3.58,;19.29,-5.12,;17.96,-5.89,;16.62,-5.12,;15.29,-5.89,;13.96,-5.12,;13.96,-3.58,;12.62,-2.81,;15.29,-2.81,;16.62,-3.58,;20.62,-1.27,;19.38,-.36,;19.85,1.1,;21.39,1.1,;21.87,-.36,;23.34,-.84,;24.48,.19,;25.94,-.28,;26.26,-1.79,;27.09,.75,;26.77,2.26,;25.3,2.73,;24.16,1.7,;22.7,2.18,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccn1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;10.51,-.77,;11.66,-1.8,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;12.48,-4.34,;11.34,-3.31,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1cccnc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;10.51,-.77,;11.66,-1.8,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;12.48,-4.34,;11.34,-3.31,)|
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccncc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;10.51,-.77,;11.66,-1.8,;11.34,-3.31,;12.48,-4.34,;13.95,-3.87,;14.27,-2.36,;13.12,-1.33,)|
Oc1cc(O)c(cc1Cl)C(=O)N1CCCC1
Oc1cc(O)c(cc1Cl)C(=O)N1CCCCC1
Oc1cc(O)c(cc1Cl)C(=O)N1CCOCC1
Oc1cc(O)c(cc1Cl)C(=O)N1CCNCC1
CN1CCN(CC1)C(=O)c1cc(Cl)c(O)cc1O
CC(=O)N1CCN(CC1)C(=O)c1cc(Cl)c(O)cc1O
Oc1cc(O)c(cc1Cl)C(=O)N1CCNC(=O)C1
Oc1cc(O)c(cc1Cl)C(=O)N1CCC(=O)C1
Oc1cc(O)c(cc1Cl)C(=O)N1CCC(=O)CC1
CN1CCN(C(C1)c1ccccc1)C(=O)c1cc(Cl)c(O)cc1O
CC(C)c1cc(C(=O)N2CCN(C)CC2c2ccccc2)c(O)cc1O
Oc1cc(O)c(cc1Cl)C(=O)NCc1ccccc1
CN(Cc1ccccc1)C(=O)c1cc(Cl)c(O)cc1O
COc1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1
COc1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1OC
CN(Cc1ccc2OCOc2c1)C(=O)c1cc(Cl)c(O)cc1O
COc1cc(CN(C)C(=O)c2cc(Cl)c(O)c(O)c2O)c(Cl)c(OC)c1OC
COc1cc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)c(Cl)c(OC)c1OC
COc1cc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)c(Br)c(OC)c1OC
CN(Cc1cccc(C)c1)C(=O)c1cc(Cl)c(O)cc1O
CN(Cc1ccccc1C)C(=O)c1cc(Cl)c(O)cc1O
CN(Cc1ccc(C)cc1)C(=O)c1cc(Cl)c(O)cc1O
CNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1
CCNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1
CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1
CNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1
CCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1
CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1
CC(C)c1cc(C(=O)N(C)Cc2ccccc2)c(O)cc1O
Nc1ncnc2n(CCCC#C)c(Sc3cc4OCOc4cc3Br)nc12
Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)c(Cl)cc3Cl)nc12
COc1cc(Sc2nc3c(N)ncnc3n2CCOC(C)C)c(Cl)cc1Cl
Nc1ncnc2[nH]c(Sc3cc(Cl)c(Cl)cc3Cl)nc12
CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3Br)OCO4
Nc1nc(F)nc2n(CCCC#C)c(Cc3cc4OCOc4cc3Br)nc12
Nc1nc(F)nc2n(CCCC#C)c(Cc3cc4OCOc4cc3Cl)nc12
CC(C)NCCCn1c(nc2c1nc(nc2N)F)Cc3cc4c(cc3I)OCO4
CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4
Nc1nc(F)nc2n(CCCC#C)c(Cc3cc4OCOc4cc3I)nc12
COc1cc(I)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)cc1OC
COc1cc(Br)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)cc1OC
COc1cc(Cl)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)cc1OC
COc1cc(Sc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC
Oc1cc(O)c(cc1Cl)C(=O)N1CCC(=C)CC1
COc1cc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc(OC)c1OC
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1CO
CCc1cc(O)c(cc1C(C)C)C(=O)N1Cc2ccccc2C1
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1CCl
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1CBr
CC(C)Cc1cc(O)c(cc1C(C)C)C(=O)N1Cc2ccccc2C1
CNCc1cc(O)c(cc1C(C)C)C(=O)N1Cc2ccccc2C1
COCc1cc(O)c(cc1C(C)C)C(=O)N1Cc2ccccc2C1
CC(C)c1cc(c(cc1CC#N)O)C(=O)N2Cc3ccccc3C2
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1CC(N)=O
Cc1ccc(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2CO)cc1C
OCc1cc(O)c(cc1Sc1ccccc1O)C(=O)N1Cc2ccccc2C1
CN(c1ccccc1)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1CO
CC(C)Cc1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1CO
CC(C)Cc1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1CBr
CCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1CBr
CCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1CO
OCc1cc(O)c(cc1Cl)C(=O)N1Cc2ccccc2C1
OCc1cc(O)c(cc1C(F)(F)F)C(=O)N1Cc2ccccc2C1
CCc1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1CO
CCNc1cc(O)c(cc1C(C)C)C(=O)N1Cc2ccccc2C1
CCN(CC)c1cc(O)c(cc1C(C)C)C(=O)N1Cc2ccccc2C1
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1NC=O
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1NC(C)=O
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1NC#N
CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1N
[#6]-[#6](-[#6])-c1cc(-[#6](=O)-[#7]-2-[#6]-c3ccccc3-[#6]-2)c(-[#8])cc1\[#6]=[#6](\F)F
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1C(C)O
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1C(N)=O
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c(C=O)c1O
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c(C(C)N)c1O
CCCc1c(O)c(cc(C(=O)N2Cc3ccccc3C2)c1O)C(C)C
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c(CCO)c1O
CCc1c(O)c(cc(C(=O)N2Cc3ccccc3C2)c1O)C(C)C
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c(C=C)c1O
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c(CC=C)c1O
CC(C)c1cc(c(c(c1O)CO)O)C(=O)N2Cc3ccccc3C2
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2oncc12
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2C(=O)CCc12
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2OC3NN=CC3c12 |c:25|
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2cn[nH]c12
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2nc[nH]c12
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2[nH]cnc12
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2C(=O)C(C)Cc12
CCC1Cc2c(C1=O)c(O)c(cc2C(C)C)C(=O)N1Cc2ccccc2C1
CCCC1Cc2c(C1=O)c(O)c(cc2C(C)C)C(=O)N1Cc2ccccc2C1
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2C(=O)NCc12
CCN1Cc2c(C1=O)c(O)c(cc2C(C)C)C(=O)N1Cc2ccccc2C1
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1c(F)cccc1F |(16.05,-.38,;14.91,.65,;15.23,2.16,;13.44,.18,;12.3,1.21,;10.83,.73,;10.51,-.77,;11.66,-1.8,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;15.09,-4.9,;14.77,-6.4,;13.31,-6.88,;12.99,-8.38,;12.16,-5.85,;12.48,-4.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;5.14,4.28,;3.8,3.51,;3.8,1.97,;5.14,1.2,;5.14,-.34,)|
COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccccc3)Cl)O)O
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccc(Cc2ccccc2)c1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cc(OC)ccc1Cc1ccccc1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccc(OC)cc1Cc1ccccc1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccc(OC)c1Cc1ccccc1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cc(N)ccc1Cc1ccccc1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccc(N)cc1Cc1ccccc1
COC(=O)c1c(cc(c(c1CCc2cccnc2Cc3ccccc3)Cl)O)O
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cc(O)ccc1Cc1ccccc1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccc(O)cc1Cc1ccccc1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccc(O)c1Cc1ccccc1
CCOc1ccccc1Cc1ccccc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccccc1OC
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccccc1Cl
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1cccc(Cl)c1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccc(Cl)cc1
COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccc(cc3)F)Cl)O)O
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccnc1Cc1ccc(F)cc1
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1cc(N[C@H]2CC[C@H](O)CC2)c2c(cc(C)[nH]c2=O)c1 |r,wU:17.18,wD:20.22,(31.45,-3.22,;32.35,-4.47,;31.88,-5.94,;33.12,-6.84,;34.37,-5.94,;35.88,-6.27,;36.93,-5.13,;38.07,-6.16,;38.39,-4.66,;36.45,-3.65,;34.93,-3.32,;34.46,-1.85,;33.9,-4.47,;33.13,-8.38,;31.8,-9.16,;31.81,-10.69,;30.47,-11.45,;29.13,-10.69,;27.8,-11.45,;26.48,-10.69,;26.48,-9.15,;25.14,-8.38,;27.8,-8.37,;29.13,-9.15,;33.14,-11.46,;34.46,-10.7,;35.78,-11.48,;35.77,-13.01,;37.1,-13.8,;34.44,-13.77,;33.13,-13,;31.8,-13.77,;34.47,-9.16,)|
CCc1cc2cc(cc(N[C@H]3CC[C@H](O)CC3)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O |r,wU:10.9,wD:13.13,(51.37,-15.11,;51.38,-13.57,;50.05,-12.79,;50.06,-11.26,;48.74,-10.48,;48.75,-8.93,;47.41,-8.16,;46.08,-8.93,;46.09,-10.46,;44.75,-11.22,;43.41,-10.46,;42.09,-11.22,;40.76,-10.46,;40.76,-8.92,;39.42,-8.16,;42.09,-8.14,;43.41,-8.92,;47.42,-11.24,;47.41,-12.77,;46.08,-13.54,;48.72,-13.54,;47.4,-6.61,;46.16,-5.71,;46.63,-4.24,;45.73,-2.99,;48.18,-4.24,;48.65,-5.72,;50.16,-6.05,;51.21,-4.9,;52.35,-5.94,;52.68,-4.43,;50.73,-3.42,;49.21,-3.09,;48.74,-1.62,)|
CC(C)c1cc2cc(cc(N[C@H]3CC[C@H](O)CC3)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O |r,wU:11.10,wD:14.14,(65.9,-14.25,;65.91,-12.71,;67.25,-11.95,;64.58,-11.93,;64.59,-10.39,;63.27,-9.61,;63.28,-8.07,;61.94,-7.3,;60.61,-8.07,;60.62,-9.6,;59.28,-10.36,;57.94,-9.6,;56.62,-10.36,;55.29,-9.6,;55.29,-8.06,;53.95,-7.29,;56.62,-7.28,;57.94,-8.06,;61.95,-10.38,;61.94,-11.91,;60.61,-12.68,;63.25,-12.68,;61.93,-5.75,;60.69,-4.85,;61.16,-3.38,;60.26,-2.13,;62.71,-3.38,;63.18,-4.86,;64.69,-5.18,;65.74,-4.04,;66.88,-5.07,;67.21,-3.57,;65.26,-2.56,;63.74,-2.23,;63.27,-.76,)|
CCCc1cc2cc(cc(N[C@H]3CC[C@H](O)CC3)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O |r,wU:11.10,wD:14.14,(13.84,-31.1,;12.51,-30.32,;12.52,-28.78,;11.2,-28,;11.21,-26.47,;9.88,-25.69,;9.89,-24.14,;8.55,-23.37,;7.22,-24.14,;7.24,-25.68,;5.9,-26.44,;4.56,-25.68,;3.23,-26.44,;1.9,-25.68,;1.9,-24.14,;.56,-23.37,;3.23,-23.36,;4.56,-24.14,;8.56,-26.45,;8.55,-27.98,;7.22,-28.76,;9.86,-28.76,;8.55,-21.83,;7.3,-20.92,;7.78,-19.46,;6.88,-18.21,;9.32,-19.45,;9.79,-20.93,;11.3,-21.26,;12.35,-20.11,;13.49,-21.15,;13.82,-19.65,;11.88,-18.64,;10.36,-18.3,;9.88,-16.84,)|
CCCCc1cc2cc(cc(N[C@H]3CC[C@H](O)CC3)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O |r,wU:12.11,wD:15.15,(26.85,-32.52,;26.87,-30.98,;25.54,-30.2,;25.55,-28.66,;24.22,-27.88,;24.23,-26.35,;22.91,-25.57,;22.92,-24.02,;21.58,-23.25,;20.25,-24.02,;20.26,-25.55,;18.92,-26.31,;17.58,-25.55,;16.26,-26.31,;14.93,-25.55,;14.93,-24.01,;13.59,-23.24,;16.26,-23.23,;17.58,-24.01,;21.59,-26.33,;21.58,-27.86,;20.25,-28.63,;22.89,-28.63,;21.57,-21.7,;20.33,-20.8,;20.8,-19.33,;19.9,-18.08,;22.35,-19.33,;22.82,-20.81,;24.33,-21.14,;25.38,-19.99,;26.52,-21.03,;26.85,-19.52,;24.9,-18.51,;23.38,-18.18,;22.91,-16.71,)|
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1cc(N[C@H]2CC[C@H](O)CC2)c2c(c1)cc([nH]c2=O)C(C)(C)C |r,wU:17.18,wD:20.22,(32.6,-17.87,;33.5,-19.12,;33.03,-20.59,;34.28,-21.49,;35.52,-20.6,;37.03,-20.93,;38.08,-19.78,;39.22,-20.82,;39.55,-19.31,;37.6,-18.3,;36.08,-17.97,;35.61,-16.5,;35.05,-19.12,;34.28,-23.04,;32.95,-23.81,;32.97,-25.34,;31.63,-26.1,;30.28,-25.34,;28.96,-26.1,;27.63,-25.34,;27.63,-23.8,;26.29,-23.03,;28.96,-23.02,;30.28,-23.8,;34.29,-26.12,;35.61,-25.36,;35.62,-23.81,;36.93,-26.14,;36.92,-27.67,;35.59,-28.42,;34.28,-27.65,;32.95,-28.42,;38.25,-28.45,;39.59,-27.69,;37.48,-29.78,;39.02,-29.78,)|
CC(C)Cc1cc2cc(cc(N[C@H]3CC[C@H](O)CC3)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O |r,wU:12.11,wD:15.15,(53.37,-31.25,;52.04,-30.47,;50.7,-31.23,;52.05,-28.93,;50.72,-28.15,;50.73,-26.62,;49.41,-25.84,;49.42,-24.29,;48.08,-23.52,;46.75,-24.29,;46.76,-25.83,;45.42,-26.58,;44.08,-25.82,;42.75,-26.59,;41.43,-25.82,;41.43,-24.28,;40.09,-23.52,;42.75,-23.51,;44.08,-24.28,;48.09,-26.6,;48.08,-28.13,;46.75,-28.91,;49.39,-28.9,;48.07,-21.98,;46.83,-21.07,;47.3,-19.6,;46.4,-18.36,;48.85,-19.6,;49.32,-21.08,;50.83,-21.41,;51.88,-20.26,;53.02,-21.3,;53.34,-19.79,;51.4,-18.78,;49.88,-18.45,;49.41,-16.98,)|
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1cc(N[C@H]2CC[C@H](O)CC2)c2c(c1)cc([nH]c2=O)C1CC1 |r,wU:17.18,wD:20.22,(60.93,-17.48,;61.83,-18.73,;61.35,-20.2,;62.6,-21.1,;63.84,-20.21,;65.35,-20.54,;66.4,-19.39,;67.54,-20.43,;67.87,-18.92,;65.93,-17.91,;64.41,-17.58,;63.93,-16.11,;63.37,-18.73,;62.6,-22.65,;61.27,-23.42,;61.29,-24.95,;59.95,-25.71,;58.61,-24.95,;57.28,-25.71,;55.95,-24.95,;55.95,-23.41,;54.61,-22.65,;57.28,-22.63,;58.61,-23.41,;62.61,-25.73,;63.93,-24.97,;63.94,-23.42,;65.26,-25.75,;65.25,-27.28,;63.91,-28.03,;62.6,-27.26,;61.27,-28.04,;66.57,-28.06,;67.34,-29.4,;68.12,-28.07,)|
COCc1cc2cc(cc(N[C@H]3CC[C@H](O)CC3)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O |r,wU:11.10,wD:14.14,(11.4,-45.69,;12.74,-44.93,;12.75,-43.39,;11.42,-42.61,;11.43,-41.08,;10.11,-40.3,;10.12,-38.75,;8.77,-37.98,;7.45,-38.75,;7.46,-40.29,;6.12,-41.04,;4.78,-40.28,;3.45,-41.04,;2.12,-40.28,;2.12,-38.74,;.79,-37.98,;3.45,-37.96,;4.78,-38.74,;8.78,-41.06,;8.77,-42.59,;7.44,-43.37,;10.09,-43.36,;8.77,-36.44,;7.53,-35.53,;8,-34.06,;7.1,-32.82,;9.55,-34.06,;10.02,-35.54,;11.53,-35.87,;12.58,-34.72,;13.71,-35.76,;14.04,-34.25,;12.1,-33.24,;10.58,-32.91,;10.11,-31.44,)|
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1cc(N[C@H]2CC[C@H](O)CC2)c2c(cc(CO)[nH]c2=O)c1 |r,wU:17.18,wD:20.22,(20.11,-32.75,;21.01,-34,;20.53,-35.47,;21.78,-36.37,;23.02,-35.48,;24.53,-35.81,;25.58,-34.66,;26.72,-35.7,;27.05,-34.19,;25.11,-33.18,;23.59,-32.85,;23.11,-31.38,;22.55,-34,;21.78,-37.92,;20.45,-38.69,;20.47,-40.22,;19.13,-40.98,;17.79,-40.22,;16.46,-40.98,;15.13,-40.22,;15.13,-38.68,;13.79,-37.91,;16.46,-37.9,;17.79,-38.68,;21.79,-41,;23.11,-40.24,;24.44,-41.02,;24.43,-42.55,;25.75,-43.33,;25.74,-44.87,;23.09,-43.3,;21.78,-42.53,;20.45,-43.3,;23.12,-38.69,)|
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1cc(N[C@H]2CC[C@H](O)CC2)c2c(c1)cc([nH]c2=O)C#C |r,wU:17.18,wD:20.22,(-.21,5.05,;.56,3.72,;.08,2.25,;1.33,1.35,;2.57,2.25,;4.08,1.93,;5.11,3.08,;6.6,2.68,;6.2,4.17,;4.63,4.54,;3.13,4.86,;2.73,6.35,;2.1,3.72,;1.33,-.19,;-.01,-.96,;-.01,-2.5,;-1.34,-3.27,;-2.66,-2.5,;-3.99,-3.27,;-5.33,-2.5,;-5.33,-.96,;-6.66,-.19,;-3.99,-.19,;-2.66,-.96,;1.33,-3.27,;2.66,-2.5,;2.66,-.96,;3.99,-3.27,;3.99,-4.81,;2.66,-5.58,;1.33,-4.81,;-.01,-5.58,;5.33,-5.58,;6.66,-6.35,)|
CCCc1cc2cc(cc(N3CCOCC3)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O
CCCc1cc2cc(cc(N3CCC(O)CC3)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O
CCCc1cc2cc(cc(N3CCN(C)CC3)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O
CCCc1cc2cc(cc(N3CCNCC3)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O
CCCc1cc2cc(cc(N3CCN(CC3)C(=O)C(C)(C)C)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O
CCCc1cc2cc(cc(NC3CCN(C)CC3)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O
CCCc1cc2cc(cc(N(C)CCN(CC)CC)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O
Nc1nc(Cl)c2cnc(Cc3ccc4OCOc4c3)n2n1
Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N
Nc1nc(Cl)c2cnn(Cc3ccc4OCOc4c3)c2n1
c1c(c(cc2c1OCO2)Br)Cn3c4c(cn3)c(nc(n4)N)Cl
Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl
Nc1nc(Cl)c2cc(C(O)=O)n(Cc3ccc4OCOc4c3)c2n1
Cn1cnc2c(N)nc(Cl)nc12
CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34|
COc1ccc(Cn2cc(c(c2)-c2ccc(O)c(O)c2)-c2ccc(O)c(O)c2)cc1OC
COc1cc(Cn2cc(c(c2)-c2ccc(O)c(O)c2)-c2ccc(O)c(O)c2)cc(OC)c1OC
COc1ccc(Cn2cc(c(c2)-c2ccc(O)c(O)c2)-c2ccc(O)c(O)c2)cc1
COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(C)C |r|
COC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(C)C)C(C)C)C(C)C |r|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnc(nc1)N1CCN(CC1)C(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O |r|
COC(=O)[C@H](NC(=O)c1cnc(nc1)N1CCN(CC1)C(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(C)C |r|
COC(=O)[C@H](NC(=O)c1cnc(nc1)N1CCC(CNC(=O)c2noc(c2-c2ccc(CN3CCOCC3)cc2)-c2cc(C(C)C)c(O)cc2O)CC1)C(C)C |r|
COC(=O)[C@H](NC(=O)CCCCCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(C)C |r|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)COCCOCCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O |r|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)COCCOCCOCCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O |r|
COC(=O)[C@H](NC(=O)COCCOCCOCCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(C)C |r|
COC(=O)[C@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(C)C |r|
COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O |r|
COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O |r|
COC(=O)[C@@H](CO)NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O |r|
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O |r|
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCOC(=O)[C@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(C)C |r|
CNC(=O)[C@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(C)C |r|
CCNC(=O)[C@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(C)C |r|
CC(C)[C@@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(=O)N1CC(F)(F)C1 |r|
CC(C)[C@@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(=O)N1CCN(C)CC1 |r|
CC(C)[C@@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(=O)NCCN1CCOCC1 |r|
COC(=O)[C@H](NC(=O)[C@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(C)C)C(C)C |r|
COC(=O)[C@@H](CC(C)C)NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O |r|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O |r|
CC(C)[C@@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(=O)OC(C)(C)C |r|
CC(C)[C@@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(=O)NC1(CO)CC1 |r|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(C)C |r|
COC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(C)C)C(C)C)C(C)C)C(C)C |r|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnc(nc1)N1CCC(CNC(=O)c2noc(c2-c2ccc(CN3CCOCC3)cc2)-c2cc(C(C)C)c(O)cc2O)CC1 |r|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O |r|
COC(=O)[C@H](NC(=O)COCCOCCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(C)C |r|
c1ccc(cc1)Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)Cl
COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)C(=O)OC)O)O
COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O
CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)C(=O)NC(N)=N)-c1cc(C(C)C)c(O)cc1O
Oc1cc(O)c(cc1Sc1ccccc1)C(=O)N1Cc2ccccc2C1
Oc1cc(O)c(cc1Sc1cc(Cl)cc(Cl)c1)C(=O)N1Cc2ccccc2C1
c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br
Cc1ccc(C)c(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)c1
CCOC(=O)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-c1ccccc1
Cc1ccc(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)cc1C
Cc1ccc(Cc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)cc1
COc1cccc(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)c1
COC(=O)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
Oc1cc(O)c(cc1N1CCc2ccccc12)C(=O)N1Cc2ccccc2C1
Oc1cc(O)c(cc1Cc1ccccc1)C(=O)N1Cc2ccccc2C1
CN(c1ccccc1)c1ccc(O)c(c1)C(=O)N1Cc2ccccc2C1
Oc1ccc(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)cc1
Cc1ccc(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)c(C)c1
Oc1cc(O)c(cc1Sc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1
Oc1cc(O)c(cc1Cc1ccccc1Cl)C(=O)N1Cc2ccccc2C1
Oc1cc(O)c(cc1Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C1
Oc1cc(O)c(cc1Cc1ccc(F)cc1)C(=O)N1Cc2ccccc2C1
Oc1ccccc1Sc1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
CC(C)c1cc(-c2onc(C(=O)NCC(=O)Nc3cccc(Nc4ncc(Cl)c(Nc5ccccc5S(=O)(=O)C(C)C)n4)c3)c2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O
COc1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1NC(=O)CNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
COc1ccc(NC(=O)CNC(=O)CN2CCN(Cc3ccc4CN(Cc4c3)C(=O)c3cc(C(C)C)c(O)cc3O)CC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CCNC(=O)c1noc(c1-c1ccc(CN2CCN(CC(=O)NCC(=O)Nc3ccc(OC)c(Nc4ncc(Cl)c(Nc5ccccc5S(=O)(=O)C(C)C)n4)c3)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
COc1ccc(NC(=O)CN2CCN(Cc3ccc4CN(Cc4c3)C(=O)c3cc(C(C)C)c(O)cc3O)CC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)C
COc1ccc(NC(=O)CNC(=O)c2noc(c2-c2ccc(CN3CCOCC3)cc2)-c2cc(C(C)C)c(O)cc2O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CCNC(=O)c1noc(c1-c1ccc(cc1)C(=O)NCC(=O)Nc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(cc1)C(=O)N1CCN(CC(=O)Nc2cccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c2)CC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNCC(=O)Nc2cccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CNCC(=O)Nc2ccc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCN(CC(=O)Nc3ccc(OC)c(Nc4ncc(Cl)c(Nc5ccccc5S(=O)(=O)C(C)C)n4)c3)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
NC(=O)c1ccc(cc1N[C@H]1CC[C@H](O)CC1)-n1cccc1Cc1ccccc1O |r,wU:10.10,wD:13.14,(45.82,-28.46,;47.15,-27.69,;47.15,-26.16,;48.49,-28.46,;48.49,-30,;49.83,-30.77,;51.16,-30,;51.16,-28.46,;49.82,-27.69,;49.82,-26.16,;51.16,-25.38,;51.16,-23.84,;52.49,-23.07,;53.83,-23.84,;55.16,-23.07,;53.83,-25.38,;52.49,-26.16,;52.49,-30.77,;52.65,-32.3,;54.15,-32.61,;54.92,-31.28,;53.89,-30.14,;54.29,-28.66,;55.78,-28.26,;56.86,-29.35,;58.35,-28.95,;58.75,-27.47,;57.66,-26.38,;56.17,-26.77,;55.08,-25.68,)|
Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N
COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)NC1=CC(=O)C(OC)=CC1=O |c:25,t:19|
CC(C)c1ccc(cc1)-c1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:17.18,wD:14.14,(9.51,-16.49,;8.17,-17.26,;6.85,-16.49,;8.17,-18.8,;9.5,-19.57,;9.5,-21.11,;8.16,-21.88,;6.83,-21.12,;6.83,-19.57,;8.16,-23.42,;6.82,-24.19,;6.82,-25.73,;8.15,-26.5,;8.15,-28.04,;6.81,-28.8,;5.48,-28.03,;4.14,-28.8,;4.14,-30.35,;2.81,-31.12,;5.48,-31.11,;6.81,-30.35,;9.49,-25.73,;9.49,-24.18,;10.82,-26.51,;12.16,-25.74,;10.82,-28.05,)|
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cccc(OCCCCCCOc2ccc(Nc3nc(-c4cnn(CCCCCCC(=O)NO)c4)c4cc[nH]c4n3)cc2)c1
CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,21,t:13,19,32|
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCCCCCn2cc(cn2)-c2nc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc3[nH]ccc23)c(Cl)cc1Cl
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCCCCCn2cc(cn2)-c2nc(Nc3ccc(NC(=O)CCCCCCC(O)=O)cc3)nc3[nH]ccc23)c(Cl)cc1Cl
CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCC(=O)NO)ccc23)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCC(=O)NO)ccc23)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCC(=O)NO)ccc23)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCCC(=O)NO)ccc23)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCCCC(=O)NO)ccc23)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCC(=O)NO)ccc23)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3cc(NCc4ccc(cc4)C(=O)NO)ccc23)c(O)cc1O
c1ccc(cc1)NC(=O)CCCCCCC(=O)NO
COc1ccc(NC(=O)C[n+]2ccccc2)cc1
NC(=O)c1ccc[n+](CC(=O)Nc2ccccc2)c1
NS(=O)(=O)c1ccc(NC(=O)C[n+]2cccc(c2)C(=O)Nc2ccccc2)cc1
NC(=O)c1ccc[n+](CC(=O)NCCc2ccccc2)c1
Cc1cccc(NC(=O)C[n+]2cccc(c2)C(N)=O)c1
Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO
NC(=O)c1ccc[n+](CC(=O)Nc2ccc(cc2)S(N)(=O)=O)c1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)C[n+]2cccc(c2)C(N)=O)cc1
Cc1ccc(NC(=O)C[n+]2cccc(c2)C(=O)Nc2ccccc2)cc1
COc1ccc(NC(=O)C[n+]2cccc(c2)C(=O)NCC=C)cc1
Cc1ccc(NC(=O)C[n+]2cccc(c2)C(=O)Nc2ccc(Cl)cc2)cc1
Cc1ccc(NC(=O)C[n+]2cccc(c2)C(N)=O)cc1
O=C(C[n+]1ccccc1)NCc1ccccc1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)C[n+]2ccccc2)cc1
NC(=O)c1ccc[n+](CC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1
[O-][N+](=O)c1ccc(NC(=O)C[n+]2ccccc2)cc1
Cc1cccc(C)c1Oc1nc(N)nc(Cl)n1
CC(=O)NCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23
NC(=O)CCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23
CN(C)C(=O)CCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23
Nc1nc(SCCC(=O)NCCO)nc(n1)-c1c(Cl)cc2COCc3cccc1c23
CC(CSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23)C(N)=O
Nc1nc(SCCO)nc(n1)-c1c(Cl)cc2COCc3cccc1c23
NC(=O)CCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23
NC(=O)CSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23
Nc1nc(SC[C@@H]2CNC(=O)O2)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 |r|
C[C@H](CSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23)C(N)=O |r|
CC(=O)N[C@@H](CSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23)C(N)=O |r|
NC(=O)OCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23
CN(C)CCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23
NC(=O)NCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23
Nc1nc(SC[C@H]2CNC(=O)O2)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 |r|
CS(=O)(=O)NCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23
CC(C)(CSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23)C(N)=O
CNC(=O)CCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23
[H][C@]12OC[C@]3(C)[C@@H](C[C@H](OC(C)=O)[C@@](C)([C@@]13[H])[C@@]1([H])CC[C@@]3(C)[C@@H](CC=C3[C@]1(C)[C@@H]2O)c1ccoc1)OC(C)=O |r,c:27|
COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(C)=C23)c2ccoc2)[C@@H]2OC[C@@]3(C)[C@H]2[C@]1(C)[C@H](C[C@H]3O)OC(=O)C(\C)=C\C |r,t:14|
COc1cc(CC(=O)c2ccc3OC(C)(C)C=Cc3c2OC)cc(OC)c1OC |c:16|
COc1ccc(CC(=O)c2ccc3OC(C)(C)CCc3c2OC)cc1OC
COc1cc(OC)c(OC)cc1CC(=O)c1ccc2OC(C)(C)C=Cc2c1OC |c:24|
COc1cc(CC(=O)c2ccc3OC(C)(C)CCc3c2OC)cc(OC)c1OC
COc1ccc(CC(=O)c2ccc3OC(C)(C)C=Cc3c2OC)cc1OC |c:17|
[H][C@@]12COc3cc(OC)c(OC)cc3[C@]1([H])C(=O)c1ccc3OC(C)(C)C=Cc3c1O2 |r,c:28|
COc1cc(CC(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc(OC)c1OC |c:16|
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)NC(=O)CNc3cc(ccc3C(N)=O)-n3nc(c4c3CC(C)(C)CC4=O)C(F)(F)F)cc12 |r|
CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)CNC(=O)CNc4cc(ccc4C(N)=O)-n4nc(c5c4CC(C)(C)CC5=O)C(F)(F)F)c3=O)-c2nc2ccc(O)cc12 |r|
CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)CNC(=O)c4noc(c4-c4ccc(CN5CCOCC5)cc4)-c4cc(C(C)C)c(O)cc4O)c3=O)-c2nc2ccc(O)cc12 |r|
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)NC(=O)c3noc(c3-c3ccc(CN4CCOCC4)cc3)-c3cc(C(C)C)c(O)cc3O)cc12 |r|
CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r,wU:21.25,wD:18.18,(6.56,.62,;6.53,1.85,;5.48,2.5,;7.88,1.07,;9.21,1.85,;9.21,3.39,;10.67,3.86,;11.57,2.64,;10.67,1.39,;11.15,-.08,;10.22,-1.3,;10.82,-2.72,;12.34,-2.91,;12.93,-4.34,;14.16,-4.49,;12.19,-5.31,;13.28,-1.69,;14.81,-1.88,;15.74,-.65,;17.27,-.85,;18.2,.38,;17.6,1.8,;16.07,1.99,;15.14,.76,;18.52,3.03,;17.92,4.45,;16.7,4.6,;18.85,5.68,;18.37,6.82,;12.68,-.27,;11.15,5.32,;12.35,5.58,;10.32,6.24,;11.53,6.49,;7.88,4.18,;7.88,5.41,;6.53,3.39,)|
CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)CCNC(=O)c4noc(c4-c4ccc(CN5CCOCC5)cc4)-c4cc(C(C)C)c(O)cc4O)c3=O)-c2nc2ccc(O)cc12 |r|
CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)CCNC(=O)CNc4cc(ccc4C(N)=O)-n4nc(c5c4CC(C)(C)CC5=O)C(F)(F)F)c3=O)-c2nc2ccc(O)cc12 |r|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-n3cnc(c3)-n3ccnc3)c12 |r,wU:18.18,wD:15.14,(36.48,-9.37,;34.98,-9.7,;34.11,-8.4,;34.51,-11.17,;35.43,-12.41,;34.53,-13.66,;35.01,-15.12,;33.98,-16.27,;34.47,-17.73,;35.98,-18.04,;36.46,-19.5,;35.44,-20.65,;37.97,-19.81,;37,-16.88,;38.51,-17.19,;39.53,-16.03,;41.04,-16.35,;42.06,-15.2,;41.57,-13.74,;42.6,-12.59,;40.06,-13.43,;39.03,-14.58,;36.51,-15.42,;33.06,-13.19,;31.72,-13.97,;30.38,-13.2,;30.38,-11.66,;31.71,-10.89,;31.7,-9.35,;32.93,-8.44,;32.45,-6.98,;30.92,-6.99,;30.45,-8.46,;30.01,-5.76,;28.48,-5.76,;28,-4.3,;29.24,-3.39,;30.48,-4.29,;33.05,-11.65,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3ccoc3)c12 |r,wU:18.18,wD:15.14,(58.76,-5.24,;57.26,-5.57,;56.35,-4.43,;56.79,-7.04,;57.71,-8.28,;56.81,-9.53,;57.29,-10.99,;56.26,-12.14,;56.74,-13.6,;58.25,-13.91,;58.74,-15.37,;57.72,-16.52,;60.25,-15.68,;59.28,-12.75,;60.79,-13.06,;61.81,-11.9,;63.32,-12.22,;64.33,-11.07,;63.85,-9.61,;64.88,-8.46,;62.34,-9.3,;61.31,-10.45,;58.79,-11.29,;55.34,-9.07,;53.99,-9.84,;52.66,-9.07,;52.66,-7.53,;53.99,-6.76,;53.98,-5.22,;52.73,-4.33,;53.19,-2.86,;54.73,-2.85,;55.21,-4.31,;55.33,-7.52,)|
NC(=O)c1ccc(cc1N[C@H]1CC[C@H](O)CC1)-n1ncc2c(cccc12)-c1cnc2ccccc2c1 |r,wU:10.10,wD:13.14,(34.52,-18.83,;35.54,-17.68,;37.05,-17.99,;35.06,-16.22,;33.55,-15.91,;33.07,-14.45,;34.09,-13.3,;35.59,-13.61,;36.08,-15.06,;37.59,-15.37,;38.61,-14.21,;38.11,-12.76,;39.14,-11.61,;40.65,-11.92,;41.68,-10.77,;41.13,-13.38,;40.12,-14.53,;33.61,-11.85,;34.51,-10.59,;33.6,-9.35,;32.13,-9.84,;30.8,-9.07,;29.47,-9.84,;29.47,-11.39,;30.8,-12.16,;32.14,-11.38,;30.79,-7.54,;32.12,-6.77,;32.12,-5.23,;30.78,-4.46,;30.77,-2.92,;29.42,-2.16,;28.09,-2.95,;28.11,-4.49,;29.45,-5.24,;29.46,-6.78,)|
CC(C)c1nn(-c2ccc(cc2)C(N)=O)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-n3cnc(c3)-c3ccoc3)c12 |r,wU:18.18,wD:15.14,(14.63,-9.09,;13.13,-9.41,;12.5,-8.36,;12.66,-10.88,;13.58,-12.13,;12.68,-13.38,;13.16,-14.83,;12.13,-15.98,;12.61,-17.44,;14.12,-17.76,;14.61,-19.22,;13.59,-20.37,;16.12,-19.53,;15.15,-16.6,;16.66,-16.9,;17.68,-15.75,;19.19,-16.06,;20.21,-14.92,;19.72,-13.45,;20.75,-12.3,;18.21,-13.14,;17.18,-14.3,;14.66,-15.14,;11.21,-12.91,;9.86,-13.69,;8.53,-12.92,;8.53,-11.37,;9.86,-10.6,;9.85,-9.07,;11.08,-8.16,;10.6,-6.7,;9.06,-6.71,;8.6,-8.17,;8.16,-5.47,;6.63,-5.47,;6.15,-4.01,;7.39,-3.11,;8.64,-4.01,;11.2,-11.37,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-n3cnc(c3)-c3cncnc3)c12 |r,wU:18.18,wD:15.14,(66.02,-30.3,;64.52,-30.63,;63.73,-29.57,;64.05,-32.1,;64.97,-33.34,;64.07,-34.59,;64.55,-36.05,;63.52,-37.2,;64.01,-38.66,;65.51,-38.97,;66,-40.43,;64.98,-41.58,;67.51,-40.74,;66.54,-37.81,;68.05,-38.12,;69.07,-36.96,;70.58,-37.28,;71.59,-36.13,;71.11,-34.67,;72.14,-33.52,;69.6,-34.36,;68.57,-35.51,;66.05,-36.35,;62.6,-34.12,;61.26,-34.9,;59.92,-34.13,;59.92,-32.59,;61.25,-31.82,;61.24,-30.28,;62.47,-29.37,;61.99,-27.91,;60.46,-27.92,;59.99,-29.39,;59.55,-26.69,;60.17,-25.27,;59.26,-24.03,;57.73,-24.2,;57.11,-25.62,;58.03,-26.86,;62.59,-32.58,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-n3cnc(c3)-c3ccncc3)c12 |r,wU:18.18,wD:15.14,(62.19,-7.42,;60.69,-7.75,;59.9,-6.53,;60.22,-9.21,;61.14,-10.46,;60.24,-11.71,;60.72,-13.16,;59.69,-14.31,;60.17,-15.78,;61.68,-16.09,;62.17,-17.55,;61.15,-18.7,;63.68,-17.86,;62.71,-14.93,;64.22,-15.23,;65.24,-14.08,;66.75,-14.39,;67.76,-13.25,;67.28,-11.78,;68.3,-10.63,;65.77,-11.47,;64.74,-12.63,;62.22,-13.47,;58.77,-11.24,;57.42,-12.02,;56.09,-11.25,;56.09,-9.71,;57.42,-8.94,;57.41,-7.4,;58.64,-6.49,;58.16,-5.03,;56.62,-5.04,;56.16,-6.5,;55.72,-3.8,;56.34,-2.39,;55.43,-1.15,;53.89,-1.32,;53.28,-2.74,;54.19,-3.98,;58.76,-9.7,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-n3cnc(c3)-c3ccc(Oc4ccccc4)cc3)c12 |r,wU:18.18,wD:15.14,(37.54,-12.19,;36.04,-12.52,;35.33,-11.38,;35.57,-13.99,;36.48,-15.23,;35.59,-16.49,;36.07,-17.94,;35.04,-19.09,;35.52,-20.55,;37.03,-20.86,;37.52,-22.32,;36.5,-23.48,;39.03,-22.63,;38.06,-19.7,;39.57,-20.01,;40.59,-18.86,;42.09,-19.17,;43.11,-18.02,;42.63,-16.56,;43.65,-15.41,;41.12,-16.25,;40.09,-17.4,;37.57,-18.25,;34.12,-16.02,;32.77,-16.8,;31.44,-16.03,;31.44,-14.48,;32.77,-13.71,;32.76,-12.18,;33.99,-11.26,;33.51,-9.81,;31.97,-9.82,;31.51,-11.28,;31.07,-8.58,;31.69,-7.17,;30.78,-5.93,;29.24,-6.1,;28.33,-4.86,;28.94,-3.45,;30.48,-3.28,;31.1,-1.87,;30.18,-.63,;28.65,-.81,;28.04,-2.22,;28.63,-7.52,;29.54,-8.75,;34.11,-14.48,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3ccccc3)c12 |r,wU:18.18,wD:15.14,(35.23,-27.37,;33.72,-27.7,;32.94,-26.56,;33.26,-29.17,;34.17,-30.41,;33.27,-31.66,;33.75,-33.12,;32.73,-34.27,;33.21,-35.73,;34.72,-36.04,;35.21,-37.5,;34.18,-38.65,;36.71,-37.81,;35.74,-34.88,;37.25,-35.19,;38.27,-34.03,;39.78,-34.35,;40.8,-33.2,;40.32,-31.74,;41.34,-30.59,;38.81,-31.43,;37.78,-32.58,;35.26,-33.42,;31.8,-31.2,;30.46,-31.97,;29.13,-31.2,;29.13,-29.66,;30.46,-28.89,;30.45,-27.35,;31.77,-26.59,;31.76,-25.05,;30.43,-24.29,;29.1,-25.08,;29.12,-26.61,;31.79,-29.65,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3ccc4ccccc4c3)c12 |r,wU:18.18,wD:15.14,(35.34,-5.61,;33.84,-5.93,;33.05,-4.67,;33.37,-7.4,;34.28,-8.64,;33.38,-9.9,;33.87,-11.35,;32.84,-12.5,;33.32,-13.96,;34.83,-14.28,;35.32,-15.74,;34.3,-16.89,;36.83,-16.05,;35.86,-13.12,;37.37,-13.42,;38.39,-12.27,;39.89,-12.58,;40.91,-11.43,;40.43,-9.97,;41.45,-8.82,;38.92,-9.66,;37.89,-10.81,;35.37,-11.66,;31.91,-9.43,;30.57,-10.21,;29.24,-9.44,;29.24,-7.89,;30.57,-7.12,;30.56,-5.59,;31.95,-4.82,;31.88,-3.29,;30.55,-2.53,;30.53,-.98,;29.19,-.22,;27.85,-1.01,;27.87,-2.56,;29.21,-3.31,;29.23,-4.84,;31.91,-7.89,)|
Cc1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2cccc(-c3cnc4ccccc4c3)c12 |r,wU:13.12,wD:16.16,(34.18,-30.21,;33.72,-31.67,;34.63,-32.92,;33.73,-34.17,;34.21,-35.62,;33.19,-36.77,;33.67,-38.23,;35.18,-38.54,;35.66,-40,;34.64,-41.16,;37.17,-40.31,;36.2,-37.38,;37.71,-37.69,;38.73,-36.54,;38.24,-35.08,;39.26,-33.93,;40.77,-34.24,;41.8,-33.09,;41.26,-35.7,;40.24,-36.85,;35.71,-35.93,;32.26,-33.7,;30.92,-34.48,;29.59,-33.71,;29.59,-32.17,;30.92,-31.39,;30.91,-29.86,;32.24,-29.09,;32.24,-27.55,;30.9,-26.78,;30.89,-25.24,;29.54,-24.48,;28.21,-25.27,;28.23,-26.81,;29.57,-27.56,;29.58,-29.1,;32.25,-32.16,)|
Cc1cn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2cccc(-c3cnc4ccccc4c3)c12 |r,wU:13.12,wD:16.16,(13.04,-30.32,;12.58,-31.79,;13.49,-33.03,;12.59,-34.29,;13.07,-35.74,;12.05,-36.89,;12.53,-38.35,;14.04,-38.66,;14.52,-40.12,;13.5,-41.27,;16.03,-40.43,;15.06,-37.5,;16.57,-37.81,;17.59,-36.65,;17.1,-35.2,;18.12,-34.05,;19.63,-34.36,;20.66,-33.21,;20.12,-35.82,;19.1,-36.97,;14.57,-36.05,;11.12,-33.82,;9.78,-34.6,;8.45,-33.83,;8.45,-32.28,;9.78,-31.51,;9.77,-29.98,;11.1,-29.2,;11.1,-27.67,;9.76,-26.9,;9.75,-25.36,;8.4,-24.59,;7.07,-25.39,;7.09,-26.93,;8.43,-27.68,;8.44,-29.22,;11.11,-32.27,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12 |r,wU:18.18,wD:15.14,(38.09,-31.58,;36.58,-31.91,;36.04,-30.77,;36.12,-33.38,;37.03,-34.62,;36.13,-35.88,;36.61,-37.33,;35.58,-38.48,;36.07,-39.94,;37.58,-40.25,;38.06,-41.71,;37.04,-42.87,;39.57,-42.02,;38.6,-39.09,;40.11,-39.4,;41.13,-38.25,;42.64,-38.56,;43.66,-37.41,;43.18,-35.95,;44.2,-34.8,;41.67,-35.64,;40.64,-36.79,;38.11,-37.64,;34.66,-35.41,;33.32,-36.19,;31.98,-35.42,;31.99,-33.87,;33.32,-33.1,;33.31,-31.57,;34.54,-30.65,;34.05,-29.2,;32.52,-29.21,;32.05,-30.67,;31.61,-27.97,;32.08,-26.5,;30.84,-25.6,;29.6,-26.51,;28.13,-26.04,;30.08,-27.97,;34.65,-33.86,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2cccc(-c3cnc4ccccc4c3)c12 |r,wU:15.14,wD:18.18,(61.67,-5.93,;60.16,-6.26,;59.38,-5.12,;59.69,-7.73,;60.61,-8.97,;59.71,-10.22,;60.19,-11.67,;59.16,-12.82,;59.65,-14.28,;61.16,-14.6,;61.64,-16.06,;60.62,-17.21,;63.15,-16.37,;62.18,-13.44,;63.69,-13.74,;64.71,-12.59,;64.21,-11.14,;65.24,-9.99,;66.75,-10.29,;67.78,-9.15,;67.23,-11.76,;66.22,-12.9,;61.69,-11.98,;58.24,-9.75,;56.9,-10.53,;55.56,-9.76,;55.57,-8.22,;56.9,-7.45,;56.89,-5.91,;58.22,-5.14,;58.22,-3.6,;56.88,-2.84,;56.87,-1.29,;55.52,-.53,;54.19,-1.32,;54.21,-2.86,;55.54,-3.62,;55.55,-5.15,;58.23,-8.21,)|
CNc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-n3cnc(c3)-c3ccsc3)c12 |r,wU:18.18,wD:15.14,(16.28,-29.14,;14.77,-29.47,;13.9,-28.33,;14.3,-30.94,;15.22,-32.18,;14.32,-33.44,;14.8,-34.89,;13.77,-36.04,;14.26,-37.5,;15.77,-37.81,;16.25,-39.28,;15.23,-40.43,;17.76,-39.59,;16.79,-36.65,;18.3,-36.96,;19.32,-35.81,;20.83,-36.12,;21.85,-34.97,;21.37,-33.51,;22.39,-32.36,;19.85,-33.2,;18.83,-34.35,;16.3,-35.2,;12.85,-32.97,;11.51,-33.75,;10.17,-32.98,;10.17,-31.43,;11.5,-30.66,;11.49,-29.13,;12.72,-28.21,;12.24,-26.76,;10.71,-26.77,;10.24,-28.23,;9.8,-25.53,;8.27,-25.53,;7.79,-24.07,;9.02,-23.16,;10.27,-24.06,;12.84,-31.42,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-n3cnc(c3)-c3cccnc3)c12 |r,wU:18.18,wD:15.14,(38.24,-33.19,;36.74,-33.52,;35.95,-32.38,;36.27,-34.98,;37.19,-36.23,;36.29,-37.48,;36.77,-38.93,;35.74,-40.08,;36.23,-41.54,;37.73,-41.86,;38.22,-43.32,;37.2,-44.47,;39.73,-43.63,;38.76,-40.7,;40.27,-41,;41.29,-39.85,;42.8,-40.16,;43.81,-39.02,;43.33,-37.55,;44.36,-36.4,;41.82,-37.24,;40.79,-38.4,;38.27,-39.24,;34.82,-37.01,;33.48,-37.79,;32.14,-37.02,;32.14,-35.48,;33.47,-34.7,;33.46,-33.17,;34.69,-32.26,;34.21,-30.8,;32.68,-30.81,;32.21,-32.27,;31.77,-29.57,;30.24,-29.74,;29.33,-28.51,;29.94,-27.09,;31.48,-26.92,;32.39,-28.16,;34.81,-35.47,)|
CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3ccsc3)c12 |r,wU:18.18,wD:15.14,(38.84,-28.03,;37.33,-28.36,;36.55,-27.16,;36.86,-29.83,;37.78,-31.07,;36.88,-32.32,;37.36,-33.78,;36.33,-34.93,;36.82,-36.39,;38.33,-36.7,;38.81,-38.16,;37.79,-39.31,;40.32,-38.47,;39.35,-35.54,;40.86,-35.85,;41.88,-34.69,;43.39,-35.01,;44.41,-33.86,;43.93,-32.4,;44.95,-31.25,;42.41,-32.09,;41.39,-33.24,;38.86,-34.08,;35.41,-31.86,;34.07,-32.63,;32.73,-31.86,;32.74,-30.32,;34.06,-29.55,;34.05,-28.01,;32.8,-27.12,;33.27,-25.65,;34.8,-25.64,;35.29,-27.1,;35.4,-30.31,)|
NC(=O)c1ccc(cc1N[C@H]1CC[C@H](O)CC1)-n1ccc2c(cccc12)-c1cnc2ccccc2c1 |r,wU:10.10,wD:13.14,(12.86,-20.05,;13.89,-18.9,;15.39,-19.21,;13.4,-17.44,;11.89,-17.13,;11.41,-15.67,;12.43,-14.52,;13.94,-14.83,;14.42,-16.28,;15.93,-16.59,;16.95,-15.43,;16.46,-13.98,;17.48,-12.83,;18.99,-13.14,;20.02,-11.99,;19.48,-14.6,;18.46,-15.75,;11.95,-13.07,;12.85,-11.81,;11.94,-10.57,;10.47,-11.06,;9.14,-10.29,;7.81,-11.06,;7.81,-12.61,;9.14,-13.38,;10.48,-12.6,;9.13,-8.76,;10.46,-7.99,;10.46,-6.45,;9.12,-5.68,;9.11,-4.14,;7.77,-3.38,;6.43,-4.17,;6.45,-5.71,;7.79,-6.46,;7.8,-8,)|
COc1ccc(cc1)-c1cn(cn1)-c1ccnc2n(nc(C(C)C)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:37.41,wD:34.37,(6.93,-22.05,;6.31,-23.46,;7.23,-24.7,;8.76,-24.53,;9.67,-25.76,;9.05,-27.18,;7.53,-27.35,;6.61,-26.12,;9.96,-28.41,;9.49,-29.88,;10.74,-30.77,;11.97,-29.86,;11.49,-28.41,;10.75,-32.31,;9.42,-33.08,;9.42,-34.62,;10.76,-35.4,;12.1,-34.62,;13.57,-35.08,;14.47,-33.83,;13.55,-32.59,;14.02,-31.12,;15.52,-30.79,;13.2,-29.98,;12.09,-33.07,;14.05,-36.54,;13.02,-37.69,;13.51,-39.15,;15.02,-39.46,;15.5,-40.92,;14.48,-42.07,;17.01,-41.23,;16.04,-38.3,;17.55,-38.61,;18.57,-37.45,;20.08,-37.77,;21.1,-36.62,;20.61,-35.16,;21.64,-34.01,;19.1,-34.85,;18.07,-36,;15.55,-36.84,)|
CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccc(NC(=O)CCCCCCC(=O)NO)c1
CC(C)c1cc(C(=O)Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)c(O)cc1O
CC(C)c1cc(C(=O)Nc2cccc(NC(=O)CCCCCCC(=O)NO)c2)c(O)cc1O
CC(C)c1cc(C(=O)N(C)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)c(O)cc1O
CC(C)N(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
CC(C)c1cc(C(=O)N(C)c2ccc(NC(=O)CCCCCCCC(=O)NO)cc2)c(O)cc1O
CC(C)c1cc(C(=O)N(C)c2cccc(NC(=O)CCCCCCC(=O)NO)c2)c(O)cc1O
CC(C)c1cc(C(=O)Nc2ccccc2NC(=O)CCCCCCC(=O)NO)c(O)cc1O
CC(C)c1cc(C(=O)N(C)c2ccc(NC(=O)CCCCCC(=O)NO)cc2)c(O)cc1O
CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Cc1cc(C)n(n1)-c1nc(NN)nc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
COc1cccc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)NCc2ccccc2)c1C |TLB:9:10:13.14:17,18:17:13.14:11.10.16|
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2cnoc12
COc1cccc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(N)=O)c1C |TLB:9:10:13.14:17,18:17:13.14:11.10.16|
CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C
[H][C@@]12CC(=O)C(C)=C1C[C@]1(C)C(=O)C[C@@H](C(C)C)[C@@]1([H])C\C=C2\C |r,c:6,23|
[H][C@]12C\C=C(C)/C3CCC(C)\C3=C\[C@]1(C)C(=O)C[C@H]2C(C)C |r,c:12,t:3|
[H][C@@]12CC(=O)C(C)=C1C[C@]1(C)C(=O)C=C(C(C)C)[C@@]1([H])C\C=C2\C |r,c:6,23,t:14|
[H][C@@]12CC(=O)C(C)=C1C[C@]1(C)CC[C@@H](C(C)C)[C@@]1([H])C\C=C2\C |r,c:6,22|
[H][C@@]12CC(=O)C(C)=C1C[C@]1(C)C(=O)C[C@H]([C@@]1([H])C\C=C2\C)C(C)(C)O |r,c:6,20|
[H][C@@]12CC(=O)[C@@H](C)C11C[C@]3(C)C(=O)C=C(C(C)C)C3(CC=C2C)O1 |r,c:22,t:14|
[H][C@@]12C[C@]3([H])[C@@H](CC[C@@]3(C)C[C@@]3([H])C(=C)CC[C@@]3([H])[C@]1(C)O2)C(C)C |r|
[H][C@@]12CC(=O)[C@@](CC(=O)[C@@]3(C)CC4=C(C)C(=O)C[C@@]4([H])[C@]1(C)O3)(O2)C(C)C |r,c:12|
[H][C@]12C\C=C(C)/[C@]3([H])CCC(=C)[C@]3([H])C[C@]1(C)C(=O)C[C@H]2C(C)C |r,t:3|
C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,c:7,t:9|
[H][C@@]12CC3[C@@H](CC(=O)[C@@]3(C)\C=C3/C(CC[C@@]3(C)O)[C@]1(C)O2)C(C)C |r,c:11|
CO[C@H]1CC\C=C(C)\C(=O)Nc2cccc([C@@H]([C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@@H]1OC(N)=O)c1ccc(OC)cc1)c2O |r,c:5,27|
CO[C@H]1CC\C=C(C)\C(=O)Nc2cc(O)c(OC)c(C[C@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\C[C@@H]1OC(N)=O)c2 |r,c:5,30|
CO[C@H]1C[C@H](C)[C@@H](c2ccc(OC)cc2)c2cccc(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)c2O |r,c:27,t:25,38|
CO[C@H]1CC\C=C(C)\C(=O)Nc2cccc([C@@H]([C@@H](C)C[C@H](OC)[C@H](OC)[C@@H](C)\C=C(C)\[C@@H]1OC(N)=O)c1ccc(OC)cc1)c2O |r,c:5,28|
CO[C@H]1C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:21,t:9,13,19,32|
CO[C@H]1C[C@H](C)[C@@H](c2ccc(OC)cc2)c2cccc(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |r,c:27,t:25,38|
C\C(CC(O)=O)=C/CC12OCC3CC(C4OC44C(=O)c5c(O)cccc5OC134)C2=O |TLB:9:8:11.12:16.14,10:11:8.28:16.14,15:14:11.12:8.28,26:27:9.10:12.13.28,17:16:11.12:8.28,THB:7:8:11.12:16.14,29:28:27:9.10,16:27:9.10:12.13.28,14:13:27:9.10,15:16:11.12:8.28|
[#6]-[#6](=O)-[#8]-c1cccc2-[#8]C34[#6]5-[#6]-[#6](-[#6]=[#6]3-[#6](=O)-c12)-[#6](=O)C4([#6]\[#6]=[#6](\[#6])-[#6])[#8]C5([#6])[#6] |c:14,TLB:28:11:15.14:21.19,16:15:11.12:21.19,27:21:11.12:15.14,THB:22:21:11.12:15.14|
[#6]\[#6](-[#6])=[#6]\[#6]C12[#8]-[#6]-[#6]3-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c5c(-[#8]S([#6])(=O)=O)cccc5-[#8]C134)-[#6]2=O |t:11,TLB:6:5:8.9:12.11,7:8:12.11:5.28,13:12:8.9:5.28,THB:4:5:8.9:12.11|
[#6]\[#6](-[#6])=[#6]\[#6]C12[#8]C([#6])([#6])[#6]3-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c5ccccc5-[#8]C134)-[#6]2=O |t:13,TLB:15:14:10.11:5.25,6:5:10.11:14.13,THB:4:5:10.11:14.13|
CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,25,t:17,23,36|
[#6]-[#8]-c1cccc2-[#8]C34[#6]5-[#6]-[#6](-[#6]=[#6]3-[#6](=O)-c12)-[#6](=O)C4([#6]\[#6]=[#6](\[#6])-[#6])[#8]C5([#6])[#6] |c:12,TLB:26:9:13.12:19.17,14:13:9.10:19.17,25:19:9.10:13.12,THB:20:19:9.10:13.12|
[#6]\[#6](-[#6])=[#6]\[#6]C12[#8]-[#6]-[#6]3-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c5c(-[#8])cccc5-[#8]C134)-[#6]2=O |t:11,TLB:13:12:8.9:5.24,6:5:8.9:12.11,THB:4:5:8.9:12.11|
Oc1cccc2OC34C5COC3(CC=C)C(=O)C(C5)C=C4C(=O)c12 |c:21,TLB:10:11:8.18:20.19,THB:12:11:8.18:20.19,21:20:8.18:11.15|
[#6]\[#6](-[#6])=[#6]\[#6]C12[#8]C([#6])([#6])[#6]3-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c5c(-[#8])cc(-[#8])cc5-[#8]C134)-[#6]2=O |t:13,TLB:15:14:10.11:5.27,28:27:14.13:10.11,6:5:14.13:10.11,THB:7:10:14.13:5.27,4:5:14.13:10.11|
[#6]\[#6](-[#6])=[#6]\[#6]C12[#8]-[#6]-[#6]3-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c5ccccc5-[#8]C134)-[#6]2=O |t:11,TLB:7:8:12.11:5.23,13:12:8.9:5.23,6:5:8.9:12.11,THB:4:5:8.9:12.11|
[#6]\[#6](-[#6])=[#6]\[#6]C12[#8]C([#6])([#6])[#6]3-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c5c(-[#8])cccc5-[#8]C134)-[#6]2=O |t:13,TLB:15:14:10.11:5.26,6:5:10.11:14.13,THB:4:5:10.11:14.13|
[#6]-[#8]-c1cccc2-[#8]C34[#6]-5-[#6]-[#8]C3([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6]-5)-[#6]=[#6]4-[#6](=O)-c12 |c:24,TLB:11:12:9.21:23.22,THB:10:9:23.22:12.18,13:12:9.21:23.22,24:23:9.21:12.18|
[#6]-[#6]-[#8]-[#6](=O)-[#6]-[#8]-c1cccc2-[#8]C34[#6]5-[#6]-[#6](-[#6]=[#6]3-[#6](=O)-c12)-[#6](=O)C4([#6]\[#6]=[#6](\[#6])-[#6])[#8]C5([#6])[#6] |c:17,TLB:31:14:18.17:24.22,19:18:14.15:24.22,30:24:14.15:18.17,THB:25:24:14.15:18.17|
C\C(CO)=C/CC12OCC3CC(C=C4C(=O)c5c(O)cccc5OC134)C2=O |t:12,TLB:8:9:13.12:6.25,14:13:9.10:6.25,7:6:9.10:13.12,THB:5:6:9.10:13.12|
C\C(CCl)=C/CC12OCC3CC(C=C4C(=O)c5c(O)cccc5OC134)C2=O |t:12,TLB:8:9:13.12:6.25,14:13:9.10:6.25,7:6:9.10:13.12,THB:5:6:9.10:13.12|
C\C(CC=O)=C/CC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC134)C2=O |t:15,TLB:9:12:16.15:7.28,17:16:12.13:7.28,8:7:12.13:16.15,THB:6:7:12.13:16.15|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8][C@@]45[#6@H]6-[#6]-[#6@@H](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](=O)[C@]5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |r,c:22,33,TLB:22:21:18:42.43,THB:33:32:18:42.43,43:19:23.22:34.32|
[#6]\[#6](-[#6])=[#6]\[#6]C12[#8]C([#6])([#6])[#6]3-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c5c(-[#8]S([#6])(=O)=O)cccc5-[#8]C134)-[#6]2=O |t:13,TLB:6:5:10.11:14.13,7:10:14.13:5.30,15:14:10.11:5.30,THB:4:5:10.11:14.13|
C=CCC12OCC3CC(C=C4C(=O)c5ccccc5OC134)C2=O |t:9,TLB:11:10:6.7:3.21,4:3:6.7:10.9,THB:2:3:6.7:10.9|
[#6]-[#6](=O)-[#8]-c1cccc2-[#8]C34[#6]-5-[#6]-[#8]C3([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6]-5)-[#6]=[#6]4-[#6](=O)-c12 |c:26,TLB:13:14:11.23:25.24,THB:12:11:25.24:14.20,15:14:11.23:25.24,26:25:11.23:14.20|
C\C(CO)=C/CC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC134)C2=O |t:14,TLB:8:11:15.14:6.27,16:15:11.12:6.27,7:6:11.12:15.14,THB:5:6:11.12:15.14|
C\C(CC=O)=C/CC12OCC3CC(C4OC44C(=O)c5c(O)cccc5OC134)C2=O |TLB:8:7:10.11:15.13,9:10:7.27:15.13,14:13:10.11:7.27,25:26:8.9:11.12.27,16:15:10.11:7.27,THB:6:7:10.11:15.13,28:27:26:8.9,15:26:8.9:11.12.27,13:12:26:8.9,14:15:10.11:7.27|
[#6]\[#6](-[#6])=[#6]\[#6]C12[#8]C([#6])([#6])[#6]3-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c5c(-[#8]-[#6]-[#6](-[#8])=O)cccc5-[#8]C134)-[#6]2=O |t:13,TLB:7:10:14.13:5.30,15:14:10.11:5.30,6:5:10.11:14.13,THB:4:5:10.11:14.13|
C\C(CCl)=C/CC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC134)C2=O |t:14,TLB:8:11:15.14:6.27,16:15:11.12:6.27,7:6:11.12:15.14,THB:5:6:11.12:15.14|
COc1cc(F)c(Cl)cc1C(=O)c1ccc(OCc2ccccc2)cc1
CCn1c2ccccc2n(-c2ccccc2OC)c1=O |(2.68,-5.16,;1.65,-4.01,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.65,1.41,;.14,1.73,;-.33,3.19,;.7,4.34,;2.2,4.02,;2.68,2.55,;4.19,2.23,;5.22,3.38,;1.22,-1.3,;-.32,-1.3,)|
Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3cccnc3)cc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;7.59,.24,;7.59,1.78,;8.92,2.55,;9.69,1.21,;8.15,3.88,;10.26,3.32,;10.26,4.86,;11.59,5.63,;12.93,4.86,;12.93,3.32,;11.59,2.55,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)|
O=C1c2ccccc2-c2ccccc12
COC(=O)c1cc(cc(C(=O)OC)c1OC)C(=O)c1ccc(OC)cc1
CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c3)ccn4C
CC(C)c1cc(-c2nnn(Cc3ccccc3)c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O
CC(C)c1cc(-c2nn[nH]c2-c2ccccc2)c(O)cc1O
CC(C)c1cc(-c2nn[nH]c2-c2ccc3OCCOc3c2)c(O)cc1O
CC(C)c1cc(-c2nn[nH]c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O
COC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O
COC(=O)Cn1nnc(c1-c1cccc(c1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O
COC(=O)Cn1nnc(c1-c1cccc(NS(C)(=O)=O)c1)-c1cc(C(C)C)c(O)cc1O
COC(=O)Cn1nnc(c1-c1ccc2OCCOc2c1)-c1cc(C(C)C)c(O)cc1O
COC(=O)Cn1nnc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
COC(=O)Cn1nnc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
COC(=O)Cn1nnc(c1-c1ccc(OCCN(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
COC(=O)Cn1nnc(c1-c1ccc(O)c(O)c1)-c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(-c2nnn(CC(O)=O)c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O
CC(C)c1cc(-c2nnn(CC(O)=O)c2-c2cccc(c2)S(C)(=O)=O)c(O)cc1O
CC(C)c1cc(-c2nnn(CC(O)=O)c2-c2cccc(NS(C)(=O)=O)c2)c(O)cc1O
CC(C)c1cc(-c2nnn(CC(O)=O)c2-c2ccc3OCCOc3c2)c(O)cc1O
CCOC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O
CCOC(=O)Cn1nnc(c1-c1cccc(c1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O
CCOC(=O)Cn1nnc(c1-c1cccc(NS(C)(=O)=O)c1)-c1cc(C(C)C)c(O)cc1O
CCOC(=O)Cn1nnc(c1-c1ccc2OCCOc2c1)-c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(-c2nnn(CC(N)=O)c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O
CC(C)c1cc(-c2nnn(CC(N)=O)c2-c2ccc3OCCOc3c2)c(O)cc1O
CCc1cc(-c2nnn(CC(=O)OC)c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O
CCc1cc(-c2nnn(CC(=O)OC)c2-c2cccc(c2)S(C)(=O)=O)c(O)cc1O
CCc1cc(-c2nnn(CC(=O)OC)c2-c2cccc(NS(C)(=O)=O)c2)c(O)cc1O
CCc1cc(-c2nnn(CC(=O)OC)c2-c2ccc3OCCOc3c2)c(O)cc1O
CCOC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(CC)c(O)cc1O
CCOC(=O)Cn1nnc(c1-c1cccc(c1)S(C)(=O)=O)-c1cc(CC)c(O)cc1O
CCOC(=O)Cn1nnc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(O)cc1O
CCc1cc(-c2nnn(CC(N)=O)c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCCC#Cc1cccc2c1oc(cc2=O)N1CCOCC1 |w:16.16,39.41,t:28|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1 |w:16.16,39.41,t:28|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCCCCCCOc1ccc2c(oc(cc2=O)N2CCOCC2)c1C |w:16.16,39.41,t:28|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCOCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1 |w:16.16,39.41,t:28|
COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C2CCC(=O)[C@@]2(C)C[C@H]1C(=O)OC)C3=O |t:16|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCOCCOc1ccc2c(oc(cc2=O)N2CCOCC2)c1C |w:16.16,39.41,t:28|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCCCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1 |w:16.16,39.41,t:28|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCCCCCCCOc1ccc2c(oc(cc2=O)N2CCOCC2)c1C |w:16.16,39.41,t:28|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC#Cc1cccc2c1oc(cc2=O)N1CCOCC1 |w:39.41,16.16,t:28|
O=c1cc(oc2ccccc12)N1CCOCC1
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1 |w:16.16,39.41,t:28|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCCCCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1 |w:16.16,39.41,t:28|
[H][C@@]12Oc3c(NC(=O)\C(C)=C\[C@H](O)C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@@H]1C)cc(O)c(OC)c3C[C@@H](C)C[C@@H]2OC |r,t:9,23|
CO[C@H]1C[C@H](C)CC2=C(O)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |c:7,20,t:12,18,31|
CO[C@H]1CC\C=C(C)\C(=O)Nc2cc(O)c(OC)c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@@H]1OC(N)=O)c2 |c:5,30|
CO[C@H]1CC\C=C(C)\C(=O)Nc2cc(O)c(O)c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@@H]1OC(N)=O)c2 |c:5,29|
CN(CCCCc1c(C)n[nH]c1-c1ccco1)c1ncnc2nc[nH]c12
CC(C)c1cc(C(=O)N2Cc3ccc(NCc4ccc(cc4)C(=O)NO)cc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCC(=O)NO)cc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCC(=O)NO)cc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCC(=O)NO)cc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCC(=O)NO)cc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCCC(=O)NO)cc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCCCC(=O)NO)cc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCCCCC(=O)NO)cc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2Cc3ccc(\C=C\C(=O)NO)cc3C2)c(O)cc1O
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(S)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
NNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N
CC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)O)O)O)N
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2cccnc2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n3[C@@H]4O[C@H](COc3nc12)[C@@H](O)[C@H]4O |r,THB:5:6:15.17:8|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
CCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1(F)F |r|
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)N)O)O)N
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCC1 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1COC1 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCF |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC(F)F |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCF |r|
NC(=O)CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC[C@H](O)CO |r|
C[C@@H](NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N)nc12 |r|
Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)ncnc12 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)nc(Cl)nc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NCC(F)F |r|
Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NCC(F)F |r|
CCNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)ncnc12
CCNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)nc(Cl)nc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NC1CC1(F)F |r|
NC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)nc(Cl)nc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NCCCF |r|
Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NCCCF |r|
CCNc1nc(N)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NC |r|
Cc1ncc2CN(CCc2n1)C(=O)c1cc(Br)c(O)cc1O
CCCNc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CCNc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CNc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(C(=O)N2Cc3cnc(C)nc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(C)ncc3C2)c(O)cc1O
Cc1ncc2CN(Cc2n1)C(=O)c1cc(Br)c(O)cc1O
Cc1ncc2CN(Cc2n1)C(=O)c1cc(Cl)c(O)cc1O
Cc1ncc2CN(CCc2n1)C(=O)c1cc(Cl)c(O)cc1O
CC(C)Nc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(ncc3C2)N(C)C)c(O)cc1O
CCN(CC)c1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CCCN(CCC)c1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CCCCN(CCCC)c1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(ncc3C2)N2CCCC2)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(ncc3C2)N2CCCCC2)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(ncc3C2)N2CCOCC2)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(ncc3C2)N2CCN(C)CC2)c(O)cc1O
CCN1CCN(CC1)c1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(ncc3C2)N2CCN(CC2)C(C)=O)c(O)cc1O
COc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C
CCCOc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CC(C)Oc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CCCCOc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CC(C)COc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(OC4CCCC4)ncc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(OC4CCCCC4)ncc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(OC4CCOCC4)ncc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(OC4CCN(C)CC4)ncc3C2)c(O)cc1O
COCCOc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(OCCN(C)C)ncc3C2)c(O)cc1O
CCN(CC)CCOc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(OCCCN(C)C)ncc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(OCCN4CCCC4)ncc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(OCCN4CCCCC4)ncc3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3nc(OCCN4CCOCC4)ncc3C2)c(O)cc1O
COCCOc1nc2CCN(Cc2c(OC)n1)C(=O)c1cc(C(C)C)c(O)cc1O
CCOc1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O
CCCOc1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O
COCCOc1nc2CCN(Cc2c(OC(C)C)n1)C(=O)c1cc(C(C)C)c(O)cc1O
CNc1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O
CCNc1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O
CCCNc1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O
COCCOc1nc2CCN(Cc2c(NC(C)C)n1)C(=O)c1cc(C(C)C)c(O)cc1O
COCCOc1nc2CCN(Cc2c(NC2CC2)n1)C(=O)c1cc(C(C)C)c(O)cc1O
COCCOc1nc2CCN(Cc2c(n1)N(C)C)C(=O)c1cc(C(C)C)c(O)cc1O
CCN(CC)c1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O
Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)C(=O)NCC4
CCCc1cc2cc(cc(N3CCN(CC3)C(=O)OC(C)(C)C)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O
CCCC1Cc2cc(cc(N[C@H]3CC[C@H](O)CC3)c2C(=O)N1)-n1nc(C)c2c1CC(C)(C)CC2=O |r,wU:11.10,wD:14.14,(16.82,-13.5,;15.5,-12.72,;14.16,-13.48,;12.83,-12.7,;12.84,-11.16,;11.52,-10.38,;11.52,-8.84,;10.18,-8.07,;8.85,-8.84,;8.87,-10.37,;7.53,-11.13,;6.19,-10.37,;4.86,-11.13,;3.53,-10.37,;3.53,-8.83,;2.2,-8.06,;4.86,-8.05,;6.19,-8.83,;10.19,-11.15,;10.18,-12.68,;8.85,-13.45,;11.5,-13.45,;10.18,-6.52,;8.93,-5.62,;9.41,-4.15,;8.51,-2.9,;10.95,-4.15,;11.43,-5.63,;12.94,-5.95,;13.98,-4.81,;15.12,-5.84,;15.45,-4.34,;13.51,-3.33,;11.99,-3,;11.52,-1.53,)|
CCCC1Cc2cc(cc(N3CCC(O)CC3)c2C(=O)N1)-n1nc(C)c2c1CC(C)(C)CC2=O
COc1ccc(cc1)-c1cn(Cc2ccc(cc2)C(C)(C)C)nn1
COc1ccc(cc1)-c1cn(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nn1
CC(C)(C)c1ccc(Cn2cc(nn2)-c2cc(O)c(O)c(O)c2)cc1
CC(C)(C)c1ccc(Cn2cc(nn2)-c2ccc(O)cc2)cc1
CC(C)(C)c1ccc(Cn2cc(nn2)-c2ccc(O)cc2)c(O)c1
COc1ccc(-c2cn(Cc3ccc(cc3)C(C)(C)C)nn2)c(N)c1
CC(C)(C)c1ccc(Cn2cc(nn2)-c2ccc(O)cc2[N+]([O-])=O)cc1
CC(C)(C)c1ccc(Cn2cc(nn2)-c2ccc(O)cc2N)cc1
COc1ccc(-c2cn(Cc3ccc(cc3)C(C)(C)C)nn2)c(c1)[N+]([O-])=O
COc1cc(cc(OC)c1OC)-c1cn(Cc2ccc(cc2)C(C)(C)C)nn1
CC(C)c1cc(C(=O)Nc2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O
CC(C)c1cc(C(=O)N(C)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O
CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(Cn2c(=O)c(F)cn(C3CCCO3)c2=O)cc1
CCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(Cn2c(=O)c(F)cn(C3CCCO3)c2=O)cc1
CC(C)c1cc(C(=O)N(Cc2ccccc2)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O
CC(C)c1cc(C(=O)N(Cc2ccc(cc2)C#N)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O
CC(C)c1cc(C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O
COc1ccc(CN(C(=O)c2cc(C(C)C)c(O)cc2O)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)cc1
CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(Cn2c(=O)[nH]cc(F)c2=O)cc1
CC(C)c1cc(C(=O)N(CC=C)c2ccc(Cn3c(=O)[nH]cc(F)c3=O)cc2)c(O)cc1O
CC(C)c1cc(C(=O)N(CC#C)c2ccc(Cn3c(=O)[nH]cc(F)c3=O)cc2)c(O)cc1O
[H][C@]12CC[C@](C)(N(Cc3cn(nn3)-c3ccccc3C#N)C(=O)C1)C2(C)C |r|
[H][C@]12CC[C@](C)(N(Cc3cn(nn3)-c3ccc(cc3)C#N)C(=O)C1)C2(C)C |r|
[H][C@]12CC[C@](C)(N(Cc3cn(nn3)-c3ccccc3F)C(=O)C1)C2(C)C |r|
[H][C@]12CC[C@](C)(N(Cc3cn(nn3)-c3ccccc3Cl)C(=O)C1)C2(C)C |r|
[H][C@]12CC[C@](C)(N(Cc3cn(nn3)-c3cccc(Cl)c3)C(=O)C1)C2(C)C |r|
[H][C@]12CC[C@](C)(N(Cc3cn(nn3)-c3cccc(Br)c3)C(=O)C1)C2(C)C |r|
[H][C@]12CC[C@](C)(N(Cc3cn(nn3)-c3ccccc3)C(=O)C1)C2(C)C |r|
COC(=O)C[C@H]1[C@]2(C)CC(=O)[C@@]1(C)[C@@]1(O)CC[C@@]3(C)[C@@H](OC(=O)C=C3[C@@]1(O)\C=C/[C@H]2OC(=O)C(\C)=C\C)c1ccoc1 |r,c:24,30,THB:10:9:28.29.27.25.13:5|
[H][C@]12O[C@@]11[C@@](C)(C[C@H](OC(C)=O)[C@]3([H])[C@@]45COC(=O)C[C@]4([H])OC(C)(C)[C@]5([H])C[C@@H](O)[C@@]13C)[C@@H](OC2=O)c1ccoc1 |r|
[H][C@]12O[C@@]11[C@@](C)(C[C@H](OC(C)=O)[C@]3([H])[C@@]45COC(=O)C[C@]4([H])OC(C)(C)[C@]5([H])C[C@@H](OC(C)=O)[C@@]13C)[C@@H](OC2=O)C1=C[C@@H](O)OC1=O |r,t:46|
[H][C@]12O[C@@]11[C@@](C)(C[C@H](OC(C)=O)[C@]3([H])[C@@]4(C)C=CC(=O)OC(C)(C)[C@]4([H])C[C@@H](OC(C)=O)[C@@]13C)[C@@H](OC2=O)c1ccoc1 |r,c:17|
[H][C@@]12CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@]3([H])[C@@](C)(C1=O)[C@@]([H])([C@H](OC(C)=O)C(=O)OC)C(C)(C)[C@@H]2O |r,c:3,TLB:24:23:36.25.39:3.19.2|
c1c(c(cc2c1OCO2)Br)Cn3c4c(c(nc(n4)N)Cl)nc3O
c1cc(c(cc1Br)F)Cn2c3c(c(nc(n3)N)Cl)nc2O
Nc1nc(Cl)c2nc(O)n(Cc3ccc(F)c(Cl)c3)c2n1
Nc1nc(Cl)c2nc(O)n(Cc3cc(Cl)ccc3F)c2n1
Nc1nc(Cl)c2nc(O)n(Cc3cc(ccc3Cl)C(F)(F)F)c2n1
Nc1nc(Cl)c2nc(O)n(Cc3ccc(Cl)c(Cl)c3)c2n1
COc1cc(F)c(Cn2c(O)nc3c(Cl)nc(N)nc23)c(F)c1
Cc1ccc(Cn2c(O)nc3c(Cl)nc(N)nc23)c(F)c1
Nc1nc(Cl)c2nc(S)n(Cc3cc4OCOc4cc3Br)c2n1
Nc1nc(Cl)c2nc(S)n(Cc3ccc(Br)cc3F)c2n1
Nc1nc(Cl)c2nc(S)n(Cc3ccc(F)c(Cl)c3)c2n1
Nc1nc(Cl)c2nc(S)n(Cc3cc(ccc3Cl)C(F)(F)F)c2n1
Nc1nc(Cl)c2nc(S)n(Cc3ccc(Cl)c(Cl)c3)c2n1
COc1cc(F)c(Cn2c(S)nc3c(Cl)nc(N)nc23)c(F)c1
Cc1ccc(Cn2c(S)nc3c(Cl)nc(N)nc23)c(F)c1
Nc1nc(Cl)c2nc(S)n(Cc3c(F)ccc(F)c3F)c2n1
Nc1nc(Cl)c2nc(S)n(Cc3ccc(cc3)C(F)(F)F)c2n1
Nc1nc2c(Cl)nc(N)nc2n1Cc1cc2OCOc2cc1Br
Nc1nc2c(Cl)nc(N)nc2n1Cc1ccc(Br)cc1F
Nc1nc2c(Cl)nc(N)nc2n1Cc1ccc(F)c(Cl)c1
Nc1nc2N(Cc3cc4OCOc4cc3Br)C(=O)Cc2c(Cl)n1
Nc1nc2N(Cc3ccc4OCOc4c3)C(=O)Cc2c(Cl)n1
Nc1nc2N(Cc3ccc(Br)cc3F)C(=O)Cc2c(Cl)n1
Nc1nc2N(Cc3cc(ccc3Cl)C(F)(F)F)C(=O)Cc2c(Cl)n1
COc1cccc(CN2C(=O)Cc3c2nc(N)nc3Cl)c1OC
Nc1nc2N(Cc3ccc(Cl)c(Cl)c3)C(=O)Cc2c(Cl)n1
COc1ccc(F)c(CN2C(=O)Cc3c2nc(N)nc3Cl)c1F
Cc1ccc(CN2C(=O)Cc3c2nc(N)nc3Cl)c(F)c1
Nc1nc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)Cc2c(Cl)n1
CC(C)c1n[nH]c2nccc(-n3cnc(c3)-c3cccnc3)c12
CC(C)c1n[nH]c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(ccnc12)-n1cnc(c1)-c1ccccc1 |(-1.67,-8.76,;-.34,-7.99,;1,-8.76,;-.34,-6.45,;-1.67,-5.69,;-1.67,-4.14,;-.34,-3.37,;.99,-4.14,;.99,-5.68,;2.32,-6.45,;3.66,-5.68,;3.66,-4.14,;4.99,-3.37,;6.32,-4.14,;7.66,-3.37,;6.32,-5.68,;4.99,-6.45,;-.34,-1.83,;1,-1.06,;.99,.48,;-.34,1.25,;-1.67,.48,;-3.01,1.25,;-4.33,.47,;-4.33,-1.05,;-3,-1.82,;-1.67,-1.06,;-3.01,2.79,;-1.88,3.82,;-2.5,5.24,;-4,5.09,;-4.34,3.56,;-5.08,6.18,;-6.57,5.78,;-7.66,6.87,;-7.26,8.36,;-5.78,8.76,;-4.68,7.68,)|
CCCCC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:11.10,wD:14.14,(47.16,-21.25,;45.83,-20.47,;45.85,-18.93,;44.52,-18.15,;44.53,-16.61,;44.55,-15.07,;44.55,-13.53,;45.89,-12.76,;45.88,-11.21,;44.55,-10.44,;44.54,-8.9,;45.87,-8.13,;45.87,-6.6,;47.21,-5.83,;48.54,-6.6,;49.88,-5.83,;48.54,-8.14,;47.21,-8.9,;43.22,-11.22,;43.22,-12.76,;41.88,-10.45,;40.55,-11.22,;41.88,-8.91,)|
CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12
CCOc1ccccc1Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)C(=O)OC
CCc1cc(-c2n[nH]cc2-c2c[nH]cn2)c(O)cc1O
CCc1cc(-c2n[nH]c(C(O)=O)c2-c2ccc3OCOc3c2)c(O)cc1O
CC(C)c1ccc(cc1)-n1nnc(C(=O)Nc2ccc(SC#N)cc2)c1C
CCNC(=O)c1nnn(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)c(Cl)c(OC)c1OC
COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
Nc1ncnc2n(CCCC#C)c(Sc3cc(ccc3Cl)C(F)(F)F)nc12
CCCCn1c(Sc2cccc(OC)c2)nc2c(N)ncnc12
COc1c(Cl)c(Sc2nc3c(N)ncnc3n2CCOC(C)C)c(Cl)c(OC)c1OC
Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12
COc1ccc(Br)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
Nc1ncnc2n(CCCC#C)c(Sc3ccccc3OC(F)(F)F)nc12
COc1cccc(c1)S(=O)(=O)c1nc2c(N)ncnc2n1CCCC#C
COc1ccc(OC)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
CCCCn1c(nc2c(N)ncnc12)S(=O)c1cc(OC)c(OC)c(OC)c1
Nc1ncnc2nc(Sc3cc(ccc3Cl)C(F)(F)F)[nH]c12
Nc1ncnc2nc(Sc3cc(Cl)c(Cl)cc3Cl)[nH]c12
COc1cccc(c1)S(=O)c1nc2c(N)ncnc2n1CCOC(C)C
CCCCn1c(nc2c(N)ncnc12)S(=O)c1cccc(OC)c1
Cc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(C)c1
COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)c(Cl)c(OC)c1OC
COc1cc(Sc2nc3c(N)nc(N)nc3n2CCCC#C)cc(OC)c1OC
Nc1ncnc2n(CCCC#C)c(Sc3ccccc3Cl)nc12
COc1cc(Sc2nc3c(N)ncnc3n2CCOC(C)C)cc(OC)c1OC
CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc12
COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)c(I)c(OC)c1OC
CCCCn1c(nc2c(N)ncnc12)S(=O)(=O)c1cc(OC)c(OC)c(OC)c1
CCCCn1c(nc2c(N)ncnc12)S(=O)(=O)c1cccc(OC)c1
CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)nc(F)nc12
Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)ccc3Cl)nc12
Nc1ncnc2n(CCCC#C)c(Sc3ccc(cc3)-n3cccc3)nc12
Nc1ncnc2nc(Sc3cc(Cl)ccc3Cl)[nH]c12
COc1ccc(Cl)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
COc1cc(cc(OC)c1OC)S(=O)c1nc2c(N)ncnc2n1CCOC(C)C
COc1ccccc1Sc1nc2c(N)ncnc2n1CCCC#C
COc1cccc(c1)S(=O)c1nc2c(N)ncnc2n1CCCC#C
COc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)cc1
COc1cccc(c1)S(=O)(=O)c1nc2c(N)ncnc2n1CCOC(C)C
COc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(OC)c1
Cc1ccc(C)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
COc1cccc(Sc2nc3c(N)ncnc3n2CCOC(C)C)c1
Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)cc3Cl)nc12
COc1cccc(Sc2nc3c(N)ncnc3n2CCCC#C)c1
CCCCn1c(nc2c(N)ncnc12)S(=O)(=O)c1cc(OC)c(OC)c(OC)c1Cl
Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)cc3)nc12
Cc1cc(C)cc(Sc2nc3c(N)ncnc3n2CCCC#C)c1
COc1cc(cc(OC)c1OC)S(=O)(=O)c1nc2c(N)ncnc2n1CCCC#C
COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)cc(OC)c1OC
COc1cc(Sc2nc3c(N)nc(F)nc3n2CCCC#C)cc(OC)c1OC
Nc1ncnc2n(CCCC#C)c(Sc3ccccc3CO)nc12
COc1cc(cc(OC)c1OC)S(=O)(=O)c1nc2c(N)ncnc2n1CCOC(C)C
CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc12
COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)cc(OC)c1OC
CC(=O)c1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)cc1
CN(Cc1ccc(cc1)C(=O)NO)C(=O)c1cc(Cl)c(O)cc1O
CCN(Cc1ccc(cc1)C(=O)NO)C(=O)c1cc(Cl)c(O)cc1O
CCCN(Cc1ccc(cc1)C(=O)NO)C(=O)c1cc(Cl)c(O)cc1O
CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)c1cc(Cl)c(O)cc1O
CC(C)c1cc(C(=O)N(C)Cc2ccc(cc2)C(=O)NO)c(O)cc1O
CCN(Cc1ccc(cc1)C(=O)NO)C(=O)c1cc(C(C)C)c(O)cc1O
CCCN(Cc1ccc(cc1)C(=O)NO)C(=O)c1cc(C(C)C)c(O)cc1O
CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)c1cc(C(C)C)c(O)cc1O
COC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1
CC(C)c1cc(C(=O)N(C)Cc2ccc(cc2)C(O)=O)c(O)cc1O
CN(Cc1ccc(cc1)C(=O)NO)C(=O)c1ccccc1
CSc1nc(nc(n1)N)c2c3cccc4c3c(cc2Cl)COC4
CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1ccnn1C)C(N)=O
Clc1ccc(NC(=O)Nc2cc3ccc(OCCC4CCCCN4)cc3oc2=O)cc1
c1ccc2c(c1)CN(C2)C(=O)c3ccc(c(c3)Sc4ccc5c(c4)OCCO5)O
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N
Cc1c(OCCC2CCCCN2)ccc2cc(NC(=O)Nc3ccc(Cl)cc3)c(=O)oc12
CCC(C)n1c(ncc(NC(=O)c2ncc(NC(=O)c3ccccc3)c(=O)n2Cc2ccc(OC)cc2)c1=O)C(=O)NC1CN=C(N(CC(C)C)C1=O)C(=O)NC |c:48|
Cl.Cl.COC(=O)C1=C(CCN(C)C)N(C)C(CCN(C)C)=C(C1c1ccc(cc1)C(F)(F)F)C(=O)OC |c:4,18|
CC(C)(C)CC(C)(C)NCC(O)COc1ccc(cc1)C(C)(C)c1ccc(OCC(O)CNC(C)(C)CC(C)(C)C)cc1
COc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1
Fc1cc(Br)ccc1NC(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O
CCCCOCc1ncnc2sc3CCN(Cc3c12)C(=O)c1cc(C(C)C)c(O)cc1O
CC(C)(C#N)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(C)(N=[N+]=[N-])c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(C)(N)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(C)(Oc1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
COC(C)(C)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CCC(O)(CC)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CO)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CCC(C)(O)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(c1cc(ccc1O)C(=O)N1Cc2ccccc2C1)C(F)(F)F
CCCC(C)(O)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CCCCC(C)(O)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CCCCCC(C)(O)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(C)C(C)(O)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(C)CC(C)(O)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(C)CCC(C)(O)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
COCCCC(C)(O)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CCC=C)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CC=C)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
COCC#CC(C)(O)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CCCO)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(c1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(Cc1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CCc1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CCCc1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CCCCc1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CCCc1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccc(F)cc2C1
CC(O)(CCCc1ccccc1Cl)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CCCc1cccc(Cl)c1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CCCc1ccc(Cl)cc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CCCc1ccc(F)cc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
Cc1ccccc1CCCC(C)(O)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
Cc1cccc(CCCC(C)(O)c2cc(ccc2O)C(=O)N2Cc3ccccc3C2)c1
Cc1ccc(CCCC(C)(O)c2cc(ccc2O)C(=O)N2Cc3ccccc3C2)cc1
CC(O)(CCCc1ccccn1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CCCc1cccnc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CCCc1ccncc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(C#CCc1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(CC#Cc1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(C\C=C/c1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(O)(C\C=C\c1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
CC(C)(O)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
Cc1ccc(cc1C)Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3
COc1c(C)cnc(Cn2cc(C#CCCNC(=O)CN3CCN(CC3)c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)c3c(Cl)nc(N)nc23)c1C
COc1c(C)cnc(Cn2cc(C#CCCn3cc(nn3)C(=O)N3CCN(CC3)c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)c3c(Cl)nc(N)nc23)c1C
COc1c(C)cnc(Cn2cc(C#CCCn3cc(CNC(=O)CN4CCN(CC4)c4ccc(Nc5ncc6c(C)c(C(C)=O)c(=O)n(C7CCCC7)c6n5)nc4)nn3)c3c(Cl)nc(N)nc23)c1C
COc1c(C)cnc(Cn2cc(C#CCCn3cc(nn3)C(=O)NCCNC(=O)CN3CCN(CC3)c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)c3c(Cl)nc(N)nc23)c1C
COc1c(C)cnc(Cn2cc(C#CCCn3cc(nn3)C(=O)NCCOCCNC(=O)CN3CCN(CC3)c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)c3c(Cl)nc(N)nc23)c1C
COc1c(C)cnc(Cn2cc(C#CCCn3cc(nn3)C(=O)NCCOCCOCNC(=O)CN3CCN(CC3)c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)c3c(Cl)nc(N)nc23)c1C
CN(C)CCOc1ccc2CN(Cc2c1)C(=O)c1ccc(O)c(Sc2ccc(C)c(C)c2)c1
CN(C)CCCOc1ccc2CN(Cc2c1)C(=O)c1ccc(O)c(Sc2ccc(C)c(C)c2)c1
CN(C)CCCCOc1ccc2CN(Cc2c1)C(=O)c1ccc(O)c(Sc2ccc(C)c(C)c2)c1
Cc1ccc(Sc2cc(ccc2O)C(=O)N2Cc3ccc(OCC[N+](C)(C)C)cc3C2)cc1C
Cc1ccc(Sc2cc(ccc2O)C(=O)N2Cc3ccc(OCCC[N+](C)(C)C)cc3C2)cc1C
Cc1ccc(Sc2cc(ccc2O)C(=O)N2Cc3ccc(OCCCC[N+](C)(C)C)cc3C2)cc1C
CC[N+](C)(C)CCOc1ccc2CN(Cc2c1)C(=O)c1ccc(O)c(Sc2ccc(C)c(C)c2)c1
CC[N+](C)(C)CCCOc1ccc2CN(Cc2c1)C(=O)c1ccc(O)c(Sc2ccc(C)c(C)c2)c1
CC[N+](C)(C)CCCCOc1ccc2CN(Cc2c1)C(=O)c1ccc(O)c(Sc2ccc(C)c(C)c2)c1
Cc1ccc(Sc2cc(ccc2O)C(=O)N2Cc3ccc(OCC[N+](C)(C)[O-])cc3C2)cc1C
Cc1ccc(Sc2cc(ccc2O)C(=O)N2Cc3ccc(OCCC[N+](C)(C)[O-])cc3C2)cc1C
Cc1ccc(Sc2cc(ccc2O)C(=O)N2Cc3ccc(OCCCC[N+](C)(C)[O-])cc3C2)cc1C
Cc1ccc(Sc2cc(ccc2O)C(=O)N2Cc3ccc(OCC[N+](C)(C)Cc4ccccc4)cc3C2)cc1C
Cc1ccc(Sc2cc(ccc2O)C(=O)N2Cc3ccc(OCCC[N+](C)(C)Cc4ccccc4)cc3C2)cc1C
CC(C)c1cc(C(=O)Nc2ccc(OCCCN(C)CC#C)c(Cl)c2)c(O)cc1O
CC(C)c1cc(C(=O)N(C)c2ccc(OCCCN(C)CC#C)c(Cl)c2)c(O)cc1O
CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(OCCCN(C)CC#C)c(Cl)c1
CCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(OCCCN(C)CC#C)c(Cl)c1
CO[C@H]1C[C@H](C)CC2=C(NCc3cn(Cc4ccc(Cl)cc4)nn3)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,36,t:28,34,47|
CO[C@H]1C[C@H](C)CC2=C(NCc3cn(C\C=C\c4ccccc4)nn3)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,37,t:29,35,48|
CO[C@H]1C[C@H](C)CC2=C(NCc3cn(CCCOS(=O)(=O)c4ccc(C)cc4)nn3)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,42,t:34,40,53|
CN(C)CCOc1cc(c(Cl)cc1Cl)-c1nc(N)nc2sc(cc12)C(=O)NCC(F)(F)F
COc1cc(Cl)c(cc1O)-c1nc(SCC(=O)NCC(F)(F)F)nc2[nH]cc(C#N)c12
CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(N)nc2sc(cc12)C(=O)NCC(F)(F)F
CCNC(=O)c1noc(c1-c1ccc(CN(C)CC(F)(F)F)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN(CC)CC)c(Cl)cc1Cl
CN(C)C(=O)CSc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)OC)OC
CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(cc1)N(C)C(=O)c1cc(C(C)C)c(O)cc1O
CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(cc1)N(CC)C(=O)c1cc(C(C)C)c(O)cc1O
CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(cc1)N(Cc1ccccc1)C(=O)c1cc(C(C)C)c(O)cc1O
CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cccc(c1)N(C)C(=O)c1cc(C(C)C)c(O)cc1O
CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cccc(c1)N(CC)C(=O)c1cc(C(C)C)c(O)cc1O
CCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccc(c1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cccc(c1)N(Cc1ccccc1)C(=O)c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(-c2cncn2-c2ccccc2)c(O)cc1O
Cc1ccccc1-n1cncc1-c1cc(C(C)C)c(O)cc1O
Cc1ccc(-n2cncc2-c2cc(C(C)C)c(O)cc2O)cc1
COc1ccc(-n2cncc2-c2cc(C(C)C)c(O)cc2O)cc1
COc1ccc(-n2cncc2-c2cc(C(C)C)c(O)cc2O)cc1OC
CC(C)c1cc(-c2cncn2Cc2ccccc2)c(O)cc1O
CCOc1ccc(-n2cncc2-c2cc(C(C)C)c(O)cc2O)cc1
CC(C)c1cc(-c2cncn2-c2ccc(Cl)cc2)c(O)cc1O
CC(C)c1cc(-c2cncn2-c2ccc(F)cc2)c(O)cc1O
CC(C)c1cc(-c2cncn2-c2ccc(C(F)(F)F)cc2)c(O)cc1O
COC(=O)c1ccc(-n2cncc2-c2cc(C(C)C)c(O)cc2O)cc1
COc1ccc(Cn2cncc2-c2cc(C(C)C)c(O)cc2O)cc1
COc1ccc(CCn2cncc2-c2cc(C(C)C)c(O)cc2O)cc1
CC(C)c1cc(-c2cncn2C2CC2)c(O)cc1O
CC(C)c1cc(-c2cncn2C2CCCCC2)c(O)cc1O
COc1ccc(-n2cncc2-c2cc(CC3CCCCC3)c(O)cc2O)cc1
COc1ccc(-n2cncc2-c2cc(CCc3ccccc3)c(O)cc2O)cc1
COc1ccc(-n2cncc2-c2cc(Cc3ccccc3)c(O)cc2O)cc1
COc1ccc(-n2cncc2-c2cc(CC3CC3)c(O)cc2O)cc1
COc1ccc(-n2cncc2-c2cc(CC3CCC3)c(O)cc2O)cc1
COc1ccc(-n2cncc2-c2cc(CC3CCCC3)c(O)cc2O)cc1
CC(C)c1cc(-c2cncn2-c2ccc(C(=O)NCc3ccccc3)cc2)c(O)cc1O
CC(C)c1cc(-c2cncn2-c2ccc(C(=O)NCCN3CCOCC3)cc2)c(O)cc1O
Cc1ccc(-c2snnc2-c2cc(C(C)C)c(O)cc2O)cc1
COc1ccc(-c2snnc2-c2cc(C(C)C)c(O)cc2O)cc1
COc1ccc(-c2snnc2-c2cc(CC3CCC3)c(O)cc2O)cc1
COc1ccc(-c2snnc2-c2cc(CC3CCCC3)c(O)cc2O)cc1
COc1c(C)cnc(Cn2cnc3c(NCCOCCOCCOCCn4cc(COc5ccc(N(C(=O)CCl)C(C(=O)NCCc6ccccc6)c6cccs6)cc5Cl)nn4)nc(N)nc32)c1C
COc1c(C)cnc(Cn2cnc3c(NCCC4CCN(C(=O)Cn5cc(COc6ccc(N(C(=O)CCl)C(C(=O)NCCc7ccccc7)c7cccs7)cc6Cl)nn5)CC4)nc(N)nc32)c1C
CCOC(=O)c1c(O)cc(O)c(Cl)c1CC(=O)Nc1cc(O)c(OC)cc1O
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2ccoc12
Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC(O)=O)c1ccc(Nc2ccnc(n2)N2CCCC2)cc1
Cc1c2OC(C)(C)Cc2c(C)c(c1C)S(=O)(=O)Nc1ccc(Nc2ccnc(n2)N2CCNCC2)cc1
COc1cc(c(C)cc1C)S(=O)(=O)Nc1ccc(Nc2ccnc(n2)N2CCCC2)cc1
Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2ccccc12
O=C(c1ccc(O)c(-n2ccc3ccccc32)c1)N1Cc2ccccc2C1
O=C(c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O)N1Cc2ccccc2C1
O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2ccccc2C1
O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2ccc(F)cc2C1
O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2cccc(F)c2C1
O=C(c1ccc(O)c(C(=O)N2Cc3cccc(F)c3C2)c1)N1Cc2ccccc2C1
O=C(c1ccc(O)c(C(=O)N2Cc3ccc(F)cc3C2)c1)N1Cc2ccccc2C1
O=C(c1ccc(O)c(C(=O)N2Cc3ccc(F)cc3C2)c1)N1Cc2ccc(F)cc2C1
O=C(c1ccc(O)c(C(=O)N2Cc3ccc(F)cc3C2)c1)N1Cc2cccc(F)c2C1
O=C(c1ccc(O)c(C(=O)N2Cc3cccc(F)c3C2)c1)N1Cc2cccc(F)c2C1
O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2cccc(Cl)c2C1
O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2cccc(Br)c2C1
Cc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccccc4C3)c1)C2
COc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccccc4C3)c1)C2
CCOc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccccc4C3)c1)C2
COc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N3Cc4cccc(F)c4C3)ccc1O)C2
CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2
CC(C)c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1
CC(C)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
COc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl
CCOc1ccc(cc1)-c1snnc1-c1cc(Cl)c(O)cc1O
Cc1ccc(cc1)-c1snnc1-c1cc(Cl)c(O)cc1O
COc1ccc(cc1OC)-c1snnc1-c1cc(Cl)c(O)cc1O
CCOc1ccc(cc1)-c1snnc1-c1cc(CC)c(O)cc1O
COc1ccc(cc1)-c1snnc1-c1cc(Cl)c(O)c(Cl)c1O
CCOc1ccc(cc1)-c1snnc1-c1cc(CC)c(O)c(Cl)c1O
Nc1ncnc2n(CCCCC#C)c(Sc3cc4OCOc4cc3Br)nc12
Nc1ncnc2n(CCCc3cn(CCOCCOCCOCCOCCOCCn4cc(CCCn5c(Sc6cc7OCOc7cc6Br)nc6c(N)ncnc56)nn4)nn3)c(Sc3cc4OCOc4cc3Br)nc12
Nc1ncnc2n(CCCCc3cn(CCOCCOCCOCCOCCOCCn4cc(CCCCn5c(Sc6cc7OCOc7cc6Br)nc6c(N)ncnc56)nn4)nn3)c(Sc3cc4OCOc4cc3Br)nc12
Nc1ncnc2n(CCCc3cn(CCOCCOCCOCCOCCOCCOCCn4cc(CCCn5c(Sc6cc7OCOc7cc6Br)nc6c(N)ncnc56)nn4)nn3)c(Sc3cc4OCOc4cc3Br)nc12
Nc1ncnc2n(CCCCc3cn(CCOCCOCCOCCOCCOCCOCCn4cc(CCCCn5c(Sc6cc7OCOc7cc6Br)nc6c(N)ncnc56)nn4)nn3)c(Sc3cc4OCOc4cc3Br)nc12
Nc1ncnc2n(CCCc3cn(CCOCCOCCOCCOCCOCCOCCOCCn4cc(CCCn5c(Sc6cc7OCOc7cc6Br)nc6c(N)ncnc56)nn4)nn3)c(Sc3cc4OCOc4cc3Br)nc12
Nc1ncnc2n(CCCCc3cn(CCOCCOCCOCCOCCOCCOCCOCCn4cc(CCCCn5c(Sc6cc7OCOc7cc6Br)nc6c(N)ncnc56)nn4)nn3)c(Sc3cc4OCOc4cc3Br)nc12
Nc1ncnc2n(CCCc3cn(CCCO)nn3)c(Sc3cc4OCOc4cc3Br)nc12
Nc1ncnc2n(CCCCc3cn(CCCO)nn3)c(Sc3cc4OCOc4cc3Br)nc12
CC1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(NCCN1)c2
C[C@@H]1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(NC[C@@H](C)N1)c2 |r|
C[C@H]1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(NC[C@@H](C)N1)c2 |r|
C[C@H]1CN(C)CCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2 |r|
C[C@H]1CCN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2)C(C)=O |r|
Cc1c2CCNCCCNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Cc1c2CCNCCNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Cc1c2CCCNCC(C)(C)CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Cc1c2CCCNC(C)(C)CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Cc1c2CCCNCCNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
C[C@H]1CNCCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2 |r|
C[C@H]1CCNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2 |r|
Cc1c2CCCNCC(C)(C)Nc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
CC1CNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(NC1)c2
Cc1c2CCNCC(O)CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Cc1c2CCNCCOCCNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Cc1c2CNCCCCNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
C[C@H]1CCCNCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2 |r|
C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCNC1=O |r|
Cc1c2CCCN3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1c2CCCN3CCC[C@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1c2CCCN3CCCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1c2CCCN3CCOC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1c2CCCN3CCNC[C@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
CC(=O)N1CCN2CCCc3c(C)c4c(CC(C)(C)CC4=O)n3-c3ccc(C(N)=O)c(NC[C@H]2C1)c3 |r|
Cc1c2CCCN3CC[C@@H](C3)CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1c2CCCN3CC[C@H](C3)CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1c2CCCN3C[C@H](O)C[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1c2CCCN3C[C@@H](F)C[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
CC(=O)N[C@H]1C[C@@H]2CNc3cc(ccc3C(N)=O)-n3c4CC(C)(C)CC(=O)c4c(C)c3CCCN2C1 |r|
Cc1c2CCCN3C[C@H](C[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12)N1CCCC1 |r|
Cc1c2CCN3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1c2CCCCN3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1c2CCC(=O)N3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN2CCCC[C@H]12 |r|
Cc1c2CCCN3CC[C@@H](C3)Nc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1c2CCCN3CCC[C@@H](C3)Nc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
CS(=O)(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1 |(31.19,-23.25,;32.52,-24.02,;32.91,-22.53,;34.12,-23.89,;32.52,-25.56,;33.85,-26.33,;35.18,-25.56,;35.19,-24.02,;36.51,-23.25,;37.85,-24.01,;39.31,-23.53,;39.78,-22.06,;41.29,-21.74,;41.75,-20.28,;43.26,-19.95,;40.72,-19.14,;41.18,-17.67,;39.21,-19.47,;38.75,-20.94,;37.24,-21.27,;40.23,-24.77,;41.77,-24.76,;39.33,-26.02,;37.86,-25.55,;36.52,-26.33,)|
Oc1cc(O)c(cc1Cl)-n1c2ccc(CNC(=O)Nc3ccccc3)cc2[nH]c1=O |(12.44,-30.5,;11.98,-31.97,;10.47,-32.31,;10.01,-33.77,;8.5,-34.11,;11.04,-34.9,;12.55,-34.58,;13.02,-33.11,;14.52,-32.78,;10.57,-36.36,;9.11,-36.85,;7.77,-36.09,;6.44,-36.86,;6.44,-38.4,;5.11,-39.17,;3.78,-38.4,;2.44,-39.17,;1.11,-38.4,;2.44,-40.71,;1.11,-41.48,;-.23,-40.7,;-1.56,-41.47,;-1.56,-43.01,;-.22,-43.78,;1.11,-43.01,;7.78,-39.17,;9.12,-38.39,;10.59,-38.86,;11.49,-37.61,;13.03,-37.6,)|
Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccccc3)cc2[nH]c1=O |(12.4,-9.97,;11.94,-11.44,;10.43,-11.77,;9.97,-13.24,;8.47,-13.57,;11,-14.36,;12.51,-14.04,;12.98,-12.58,;14.48,-12.25,;10.53,-15.83,;9.07,-16.31,;7.74,-15.55,;6.41,-16.32,;6.41,-17.87,;5.07,-18.63,;3.74,-17.86,;3.73,-16.32,;4.5,-14.98,;5.27,-16.31,;2.41,-15.55,;2.42,-14.01,;1.08,-13.24,;-.25,-14.01,;-.25,-15.56,;1.08,-16.32,;7.74,-18.64,;9.08,-17.86,;10.55,-18.32,;11.45,-17.07,;12.99,-17.06,)|
c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl
Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2[nH]c1=O |(18.43,-41.71,;17.96,-43.18,;16.45,-43.52,;15.99,-44.98,;14.49,-45.32,;17.02,-46.11,;18.53,-45.79,;19,-44.32,;20.5,-43.99,;16.55,-47.57,;15.09,-48.06,;13.76,-47.3,;12.43,-48.07,;12.42,-49.61,;11.09,-50.38,;9.76,-49.61,;9.76,-48.07,;10.15,-46.57,;11.3,-48,;8.42,-47.3,;7.1,-48.07,;5.77,-47.3,;5.77,-45.76,;4.44,-44.99,;4.44,-43.46,;5.78,-42.68,;7.11,-43.46,;7.1,-44.99,;8.43,-45.76,;13.76,-50.38,;15.1,-49.6,;16.57,-50.07,;17.47,-48.82,;19.01,-48.81,)|
CCNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F |(19.17,-33.76,;20.68,-34.08,;21.16,-35.54,;22.67,-35.85,;23.69,-34.69,;23.2,-33.23,;21.7,-32.94,;21.22,-31.47,;19.75,-31.01,;18.41,-31.79,;17.08,-31.01,;17.08,-29.47,;18.41,-28.7,;19.74,-29.46,;21.21,-28.98,;22.12,-30.22,;23.66,-30.22,;15.74,-28.7,;14.4,-27.93,;16.51,-27.37,;14.98,-30.04,;25.2,-35,;26.69,-35.39,;25.55,-33.5,;24.86,-36.5,)|
Oc1ccc(cc1-n1c2ccccc2[nH]c1=O)C(F)(F)F |(7.68,3.66,;9.22,3.7,;9.95,5.05,;11.5,5.09,;12.3,3.77,;11.56,2.42,;10.01,2.39,;9.27,1.04,;7.8,.57,;6.47,1.33,;5.14,.56,;5.14,-.98,;6.47,-1.75,;7.81,-.98,;9.27,-1.45,;10.18,-.2,;11.72,-.2,;13.83,3.8,;14.63,2.48,;14.57,5.15,;15.37,3.8,)|
c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O
Oc1ccc(O)c(c1)-n1c2ccccc2[nH]c1=O |(39.34,4.23,;37.8,4.2,;37,5.52,;35.45,5.48,;34.72,4.13,;33.18,4.1,;35.51,2.83,;37.06,2.85,;34.77,1.48,;33.31,1,;31.97,1.76,;30.65,.99,;30.64,-.55,;31.98,-1.32,;33.31,-.54,;34.77,-1.02,;35.68,.23,;37.22,.23,)|
Oc1cc(O)c(cc1Cl)-n1c2ccccc2[nH]c1=O |(-3.04,-5.92,;-3.78,-7.27,;-5.32,-7.3,;-6.06,-8.65,;-7.59,-8.69,;-5.26,-9.96,;-3.72,-9.93,;-2.98,-8.58,;-1.44,-8.55,;-6,-11.31,;-7.47,-11.78,;-8.8,-11.02,;-10.13,-11.79,;-10.13,-13.33,;-8.8,-14.1,;-7.47,-13.33,;-6,-13.8,;-5.1,-12.55,;-3.56,-12.55,)|
Oc1cc(c(O)cc1Cl)-n1c2ccccc2[nH]c1=O |(9.18,-9.31,;7.64,-9.35,;6.9,-10.69,;5.35,-10.72,;4.56,-9.41,;3.02,-9.45,;5.3,-8.07,;6.84,-8.03,;7.58,-6.68,;4.62,-12.07,;3.15,-12.55,;1.81,-11.78,;.49,-12.55,;.48,-14.1,;1.82,-14.87,;3.15,-14.09,;4.62,-14.56,;5.52,-13.32,;7.06,-13.32,)|
C[C@@H]1C[C@@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:9.10,7.8|
CC(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1 |(.86,-25.99,;2.19,-26.76,;2.19,-28.3,;3.53,-25.99,;4.86,-26.76,;6.19,-25.99,;6.2,-24.45,;7.53,-23.67,;8.86,-24.44,;10.32,-23.95,;10.79,-22.49,;12.3,-22.17,;12.77,-20.7,;14.27,-20.37,;11.73,-19.56,;12.2,-18.09,;10.22,-19.9,;9.76,-21.36,;8.26,-21.7,;11.24,-25.2,;12.78,-25.19,;10.34,-26.45,;8.87,-25.98,;7.53,-26.76,)|
Oc1cc(O)c(cc1Cl)-n1c2ccc(CNC(=O)c3ccccc3)cc2[nH]c1=O |(15.02,-4.67,;14.56,-6.13,;13.05,-6.47,;12.59,-7.94,;11.08,-8.27,;13.62,-9.06,;15.13,-8.74,;15.6,-7.27,;17.1,-6.95,;13.15,-10.53,;11.69,-11.01,;10.35,-10.25,;9.03,-11.02,;9.02,-12.56,;7.69,-13.33,;6.36,-12.56,;6.36,-11.02,;7.69,-10.25,;5.02,-10.25,;5.03,-8.71,;3.7,-7.94,;2.37,-8.71,;2.37,-10.26,;3.7,-11.02,;10.36,-13.33,;11.7,-12.56,;13.17,-13.02,;14.07,-11.77,;15.61,-11.76,)|
CCNC(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1 |(-12.77,-43.35,;-12.77,-41.81,;-11.45,-41.04,;-11.45,-39.5,;-12.77,-38.73,;-10.1,-38.74,;-8.77,-39.51,;-7.43,-38.74,;-7.43,-37.19,;-6.1,-36.42,;-4.77,-37.19,;-3.3,-36.7,;-2.83,-35.23,;-1.33,-34.91,;-.86,-33.45,;.65,-33.12,;-1.9,-32.31,;-1.43,-30.84,;-3.41,-32.64,;-3.87,-34.11,;-5.37,-34.44,;-2.39,-37.94,;-.85,-37.93,;-3.29,-39.2,;-4.76,-38.73,;-6.1,-39.51,)|
C[C@@H]1NCCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2 |r|
C[C@@H]1CNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2 |r|
C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN(C)[C@H]1C |r|
C[C@@H]1CN(C)CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2 |r|
C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN(CCO)[C@H]1C |r|
C[C@@H]1CN(CCO)CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2 |r|
C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN([C@H]1C)C(C)=O |r|
C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(C)=O |r|
C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN([C@H]1C)C(=O)CN |r|
C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)CN |r|
C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN([C@H]1C)C(=O)CO |r|
C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)CO |r|
COCCC(=O)N1CCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@@H]1C)c2 |r|
COCCC(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
C[C@H](N)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
CC[C@H](N)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
CC(C)[C@H](N)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)C(C)(C)N |r|
C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)C1(N)CC1 |r|
C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)C1(N)CCCC1 |r|
C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)[C@@H]1CCCN1 |r|
C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)[C@H]1CCCN1 |r|
C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)[C@@H]1C[C@H](F)CN1 |r|
C[C@H](O)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
CC(C)[C@H](O)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
C[C@H](N)C(=O)N1CC[C@H](C)Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CC1 |r|
CCc1cc([C@@H]2CC(=O)N2c2ccc3OCCOc3c2)c(O)cc1O |r|
CCc1cc(\C=N\c2ccc3OCCOc3c2)c(O)cc1O
CCc1cc(\C=N\c2ccc3OCOc3c2)c(O)cc1O
COc1ccc([C@@H]2CC(=O)N2c2ccc3OCCOc3c2)c(OC)c1 |r|
Oc1ccc([C@@H]2CC(=O)N2c2ccc3OCCOc3c2)c(O)c1 |r|
CCc1cc([C@@H]2CC(=O)N2c2ccc(OC)cc2)c(O)cc1O |r|
CCc1cc([C@@H]2CC(=O)N2c2ccc3OCOc3c2)c(O)cc1O |r|
CCc1cc([C@@H]2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)c(O)cc1O |r|
CCc1cc([C@@H]2[C@H](C(=O)N2c2ccc3OCCOc3c2)c2ccccc2)c(O)cc1O |r|
COc1ccc(OC)c(c1)[C@@H]1CC(=O)N1c1ccc2OCCOc2c1 |r|
CSc1nc(N)nc(n1)-c1ccccc1
CSc1nc(N)nc(n1)-c1ccccc1C
CSc1nc(nc(n1)N)c2ccccc2Cl
Oc1ccc2-c3n[nH]cc3CCc2c1
c1ccc(cc1)c2ccnc(n2)N
Nc1ncc2CCc3occc3-c2n1
CCCc1nc(N)ncc1C(=O)OCC
Nc1nccc(n1)-c1nccs1
CC(=O)c1cnc(N)nc1C
CCSc1nc(nc(n1)N)C
CSc1nc(N)nc(n1)-c1ccncc1
c1ccnc(c1)N
Nc1ccncn1
c1cnc(nc1)N
Nc1ncncn1
c1ccc2c(c1)cn[nH]2
CSc1nc(N)nc(SCc2ccc(Cl)cc2)n1
Cc1ccc(cc1)S(=O)(=O)c2cc(nc(n2)N)C
CSc1nc(N)nc(SCCN2CCOCC2)n1
CSc1nc(N)nc(SCc2ccccc2)n1
Cc1cc(nc(N)n1)-c1ccc2COCc3cccc1c23
Nc1cnccn1
CSc1nc(N)nc(n1)-c1ccc2COCc3cc(Cl)cc1c23
Cc1cc(C)c2cc1-c1cc(SCCC(=O)NCCCNC2=O)nc(N)n1
Cc1cc(C)c2cc1-c1cc(SCCOC(=O)NCCNC2=O)nc(N)n1
Cc1cc(C)c2cc1-c1cc(SCCNC(=O)OCCNC2=O)nc(N)n1
Cc1cc(C)c2cc1-c1cc(SCCNC(=O)CCCNC2=O)nc(N)n1
Cc1cc(C)c2cc1-c1cc(SCCCC(=O)NCCNC2=O)nc(N)n1
Cc1cc(C)c2cc1-c1cc(SCCC(=O)NCCCCCNC2=O)nc(N)n1
Cc1cc(C)c2cc1-c1cc(SCCC(=O)NCCCCNC2=O)nc(N)n1
CCOc1cc(C)c-2cc1C(=O)NCCCOc1cccc(Sc3cc-2nc(N)n3)c1
COc1cc(C)c-2cc1C(=O)NCCCOc1cccc(Sc3cc-2nc(N)n3)c1
Cc1cc(C)c2cc1-c1cc(Sc3cccc(OCCCCCNC2=O)c3)nc(N)n1
Cc1cc(C)c2cc1-c1cc(Sc3cccc(OCCCCNC2=O)c3)nc(N)n1
Cc1cc(C)c2cc1-c1cc(Sc3cccc(OCCCNC2=O)c3)nc(N)n1
Nc1nc2Sc3cccc(OCCCCOc4cc(c(Cl)cc4Cl)-c(c2)n1)c3
Cc1ccc2OCCCCCOc3cccc(Sc4cc(nc(N)n4)-c1c2)c3
Cc1ccc2OCCCCOc3cccc(Sc4cc(nc(N)n4)-c1c2)c3
Cc1ccc2OCCCOc3cccc(Sc4cc(nc(N)n4)-c1c2)c3
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCF |r,w:17.16,14.14,38.39,t:28|
CO[C@@H]1[C@H]2OC(=O)N=C1CC=C(C)C(=O)Nc1cc(O)c(N=CCN(C)C)c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C2/C)c1O |w:10.10,22.23,c:7,t:40|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)c3cnc[nH]3)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,43.46,t:33|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)c3ccc[nH]3)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,43.46,t:33|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)NO)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCF |w:16.16,40.42,t:29|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)N(C)N)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,41.43,t:30|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(O)=NN)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCF |w:16.16,26.26,40.42,t:29|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)NO)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,40.42,t:29|
CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |r,w:20.19,17.17,6.6,t:31|
CNC(=O)O[C@@H]1[C@@H](OC)C=CC=C(C)C(=O)Nc2cc(O)c(N=CCN(C)C)c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C1/C)c2O |w:11.10,23.23,t:40|
CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(O)=NN)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N1CCC1 |w:6.6,16.16,26.26,t:29|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)NCCN(C)C)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,44.46,t:33|
CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)NO)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N1CCC1 |w:6.6,16.16,t:29|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)NCC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,43.45,t:32|
CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N1CCC1 |r,w:17.16,14.14,6.6,t:28|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(O)=NN)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,26.26,40.42,t:29|
CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)c3ccc[nH]3)\C(C)=C\[C@H](C)[C@H]1O)c2O |w:6.6,19.19,t:36|
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)NCCO)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,42.44,t:31|
CONC(=O)O[C@@H]1[C@@H](OC)C=CC=C(C)C(=O)Nc2cc(O)c(N=CCN(C)C)c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C1/C)c2O |w:12.11,24.24,t:41|
CO[C@H]1C[C@H](C)Cc2cc(NC(=O)\C(C)=C\CC[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(Cl)c2O |r,t:14,27|
CO[C@H]1CC\C=C(C)\C(=O)Nc2cccc(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@@H]1OC(N)=O)c2 |r,c:5,27|
CO[C@H]1CC\C=C(C)\C(=O)Nc2ccc(O)c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@@H]1OC(N)=O)c2 |r,c:5,28|
CO[C@H]1C[C@H](C)Cc2cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)ccc2O |r,w:15.15,t:27|
COc1ccccc1-c1cc(Cl)nc(N)n1
COc1ccccc1-c1cc(C)nc(N)n1
COc1cccc(Cl)c1-c1cc(C)nc(N)n1
Cc1cc(nc(N)n1)-c1c(O)cccc1Cl
Cc1cc(nc(N)n1)-c1c(Cl)cccc1OCCCC(F)(F)F
Cc1cc(nc(N)n1)-c1c(Cl)cc(Cl)cc1OCCCC(F)(F)F
CCNC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCCC(F)(F)F |(33.65,-4.97,;32.11,-4.98,;31.34,-3.65,;29.8,-3.65,;29.02,-2.32,;29.03,-4.99,;27.51,-5.16,;27.19,-6.66,;25.87,-7.43,;25.86,-8.98,;24.53,-9.74,;27.2,-9.75,;28.53,-8.97,;28.53,-7.42,;29.66,-6.39,;29.86,-9.74,;29.86,-11.28,;28.53,-12.05,;31.19,-12.05,;32.53,-11.28,;33.86,-12.05,;32.52,-9.73,;31.19,-8.97,;31.18,-7.43,;32.51,-6.65,;33.85,-7.42,;35.18,-6.64,;36.51,-7.41,;37.85,-6.63,;36.52,-8.95,;37.84,-8.17,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCCC(F)(F)F)C(=O)NCCC#N |(39.47,-8.84,;40.81,-8.07,;40.81,-6.52,;42.14,-5.75,;42.45,-4.25,;43.98,-4.08,;44.61,-5.48,;43.47,-6.52,;43.48,-8.07,;42.14,-8.84,;44.8,-8.83,;44.8,-10.38,;43.47,-11.15,;46.14,-11.14,;47.47,-10.37,;48.81,-11.14,;47.46,-8.82,;46.13,-8.06,;46.12,-6.52,;47.45,-5.75,;48.79,-6.51,;50.12,-5.73,;51.46,-6.5,;52.79,-5.72,;51.47,-8.04,;52.78,-7.26,;44.74,-2.75,;43.97,-1.41,;46.28,-2.74,;47.06,-4.07,;48.6,-4.06,;49.36,-2.73,;50.13,-1.39,)|
CC(C)NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCCC(F)(F)F |(-1.25,-15.77,;-2.79,-15.78,;-3.57,-14.45,;-3.56,-17.11,;-5.1,-17.12,;-5.87,-15.79,;-5.86,-18.46,;-7.39,-18.63,;-7.7,-20.13,;-9.03,-20.9,;-9.03,-22.44,;-10.37,-23.21,;-7.7,-23.21,;-6.36,-22.44,;-6.37,-20.89,;-5.23,-19.86,;-5.04,-23.21,;-5.04,-24.75,;-6.37,-25.52,;-3.7,-25.52,;-2.37,-24.75,;-1.03,-25.51,;-2.38,-23.2,;-3.71,-22.44,;-3.72,-20.9,;-2.39,-20.12,;-1.05,-20.89,;.28,-20.11,;1.62,-20.87,;2.95,-20.1,;1.62,-22.41,;2.94,-21.64,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCCC(F)(F)F)C(=O)NC1CC1 |(5.03,-23.43,;6.37,-22.66,;6.37,-21.12,;7.7,-20.35,;8.01,-18.85,;9.54,-18.68,;10.17,-20.08,;9.03,-21.11,;9.04,-22.66,;7.7,-23.43,;10.36,-23.43,;10.36,-24.97,;9.03,-25.74,;11.7,-25.74,;13.03,-24.97,;14.37,-25.73,;13.02,-23.42,;11.69,-22.66,;11.68,-21.12,;13.01,-20.34,;14.35,-21.11,;15.68,-20.33,;17.02,-21.1,;18.35,-20.32,;17.03,-22.64,;18.34,-21.86,;10.3,-17.34,;9.53,-16.01,;11.84,-17.33,;12.62,-18.67,;12.63,-20.2,;13.96,-19.42,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCCC(F)(F)F)C(=O)NC1CCC1 |(-3.45,1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-1.02,-3.09,;.32,-3.85,;1.38,-3.22,;.33,-5.39,;-.99,-6.17,;-.98,-7.41,;-2.34,-5.42,;-2.35,-3.88,;-3.69,-3.12,;-5.02,-3.91,;-6.36,-3.15,;-7.69,-3.94,;-9.03,-3.19,;-10.11,-2.58,;-10.09,-3.81,;-9.05,-1.95,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.51,2.5,;8.61,1.43,;7.54,.33,)|
CCCOc1cc(Cl)cc(Cl)c1-c1nc(N)nc2CN(Cc12)C(=O)NC1CCC1 |(47.01,-20.7,;45.68,-21.48,;44.34,-20.71,;43.01,-21.49,;43.02,-23.03,;44.36,-23.79,;44.36,-25.34,;45.7,-26.1,;43.03,-26.11,;41.7,-25.34,;40.36,-26.11,;41.7,-23.8,;40.37,-23.03,;39.03,-23.8,;37.7,-23.03,;36.36,-23.8,;37.7,-21.49,;39.03,-20.72,;39.34,-19.21,;40.87,-19.05,;41.5,-20.45,;40.36,-21.48,;41.63,-17.71,;40.86,-16.38,;43.17,-17.7,;43.94,-16.37,;45.42,-15.97,;45.01,-14.48,;43.53,-14.89,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCc1ccccc1)C(=O)NC1CCC1 |(-9.98,-36.78,;-8.65,-36.01,;-8.65,-34.47,;-7.32,-33.7,;-7,-32.19,;-5.48,-32.03,;-4.84,-33.43,;-5.98,-34.46,;-5.98,-36.01,;-7.31,-36.79,;-4.65,-36.78,;-4.65,-38.32,;-5.98,-39.1,;-3.31,-39.09,;-1.98,-38.32,;-.64,-39.09,;-1.99,-36.77,;-3.32,-36.01,;-3.33,-34.47,;-2,-33.69,;-.66,-34.46,;.67,-33.68,;2,-34.45,;3.34,-33.68,;3.33,-32.13,;1.98,-31.37,;.66,-32.15,;-4.71,-30.69,;-5.49,-29.36,;-3.17,-30.68,;-2.4,-29.34,;-.92,-28.94,;-1.33,-27.45,;-2.82,-27.86,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCc1ccccn1)C(=O)NC1CCC1 |(4.17,-36.7,;5.5,-35.93,;5.5,-34.39,;6.83,-33.62,;7.15,-32.11,;8.67,-31.94,;9.3,-33.35,;8.17,-34.38,;8.17,-35.93,;6.84,-36.7,;9.5,-36.7,;9.5,-38.24,;8.17,-39.01,;10.83,-39.01,;12.17,-38.23,;13.5,-39,;12.16,-36.69,;10.83,-35.93,;10.82,-34.39,;12.15,-33.61,;13.49,-34.37,;14.82,-33.6,;14.8,-32.07,;16.13,-31.29,;17.47,-32.05,;17.48,-33.59,;16.15,-34.37,;9.44,-30.61,;8.66,-29.28,;10.98,-30.6,;11.74,-29.26,;13.22,-28.86,;12.82,-27.38,;11.33,-27.78,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCCC#N)C(=O)NC1CCC1 |(18.65,-36.81,;19.98,-36.04,;19.98,-34.5,;21.31,-33.73,;21.62,-32.23,;23.15,-32.06,;23.78,-33.46,;22.64,-34.49,;22.65,-36.04,;21.31,-36.81,;23.98,-36.81,;23.98,-38.35,;22.64,-39.12,;25.31,-39.12,;26.64,-38.35,;27.98,-39.11,;26.64,-36.8,;25.3,-36.04,;25.3,-34.5,;26.63,-33.72,;27.96,-34.49,;29.29,-33.71,;30.63,-34.47,;31.97,-35.23,;23.92,-30.72,;23.14,-29.39,;25.46,-30.71,;26.22,-29.38,;27.7,-28.98,;27.29,-27.49,;25.81,-27.9,)|
CC(C)(CCOc1cc(Cl)cc(Cl)c1-c1nc(N)nc2CN(Cc12)C(=O)NC1CCC1)C#N |(43.48,-32.31,;44.26,-33.65,;45.02,-32.31,;42.93,-34.43,;41.59,-33.66,;40.26,-34.44,;40.27,-35.98,;41.6,-36.74,;41.61,-38.29,;42.95,-39.06,;40.28,-39.06,;38.94,-38.29,;37.61,-39.06,;38.94,-36.75,;37.62,-35.99,;36.28,-36.76,;34.95,-35.99,;33.61,-36.75,;34.95,-34.44,;36.28,-33.67,;36.59,-32.17,;38.12,-32,;38.75,-33.4,;37.61,-34.43,;38.88,-30.66,;38.11,-29.33,;40.42,-30.66,;41.19,-29.32,;42.66,-28.92,;42.26,-27.43,;40.77,-27.84,;45.6,-34.42,;46.93,-35.17,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCCO)C(=O)NC1CCC1 |(-10.77,-50.11,;-9.43,-49.35,;-9.42,-47.8,;-8.1,-47.03,;-7.78,-45.53,;-6.26,-45.36,;-5.63,-46.76,;-6.76,-47.79,;-6.76,-49.35,;-8.09,-50.12,;-5.43,-50.11,;-5.43,-51.65,;-6.76,-52.42,;-4.1,-52.42,;-2.76,-51.65,;-1.43,-52.42,;-2.77,-50.1,;-4.1,-49.34,;-4.11,-47.8,;-2.78,-47.02,;-1.44,-47.79,;-.11,-47.01,;1.22,-47.78,;-5.49,-44.02,;-6.27,-42.69,;-3.95,-44.02,;-3.19,-42.68,;-1.71,-42.28,;-2.11,-40.79,;-3.6,-41.2,)|
COCCOc1cc(Cl)cc(Cl)c1-c1nc(N)nc2CN(Cc12)C(=O)NC1CCC1 |(16.73,-47.61,;15.39,-46.84,;14.06,-47.62,;12.72,-46.85,;11.39,-47.63,;11.4,-49.17,;12.73,-49.93,;12.74,-51.48,;14.08,-52.24,;11.41,-52.25,;10.07,-51.48,;8.74,-52.25,;10.07,-49.94,;8.75,-49.17,;7.41,-49.95,;6.08,-49.17,;4.74,-49.94,;6.08,-47.63,;7.41,-46.86,;7.72,-45.36,;9.25,-45.19,;9.88,-46.59,;8.74,-47.62,;10.01,-43.85,;9.24,-42.52,;11.55,-43.85,;12.32,-42.51,;13.8,-42.11,;13.39,-40.62,;11.9,-41.03,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCN1CC(F)(F)C1)C(=O)NC1CCC1 |(18.89,-49.72,;20.22,-48.95,;20.22,-47.41,;21.55,-46.64,;21.86,-45.13,;23.39,-44.97,;24.02,-46.37,;22.88,-47.4,;22.89,-48.95,;21.55,-49.72,;24.22,-49.72,;24.22,-51.26,;22.88,-52.03,;25.55,-52.03,;26.88,-51.25,;28.22,-52.02,;26.88,-49.71,;25.54,-48.95,;25.54,-47.41,;26.87,-46.63,;28.2,-47.39,;29.53,-46.62,;31.02,-47.01,;31.41,-45.52,;32.17,-44.18,;32.89,-45.91,;29.92,-45.13,;24.15,-43.63,;23.38,-42.3,;25.69,-43.62,;26.46,-42.29,;27.94,-41.89,;27.53,-40.4,;26.05,-40.8,)|
CCNCCOc1cc(Cl)cc(Cl)c1-c1nc(N)nc2CN(Cc12)C(=O)NC1CCC1 |(46.98,-47.08,;45.65,-47.85,;44.32,-47.09,;42.99,-47.87,;41.65,-47.1,;40.32,-47.88,;40.33,-49.42,;41.66,-50.18,;41.67,-51.73,;43,-52.49,;40.33,-52.5,;39,-51.73,;37.67,-52.5,;39,-50.19,;37.67,-49.42,;36.34,-50.19,;35,-49.42,;33.67,-50.19,;35,-47.88,;36.33,-47.11,;36.65,-45.61,;38.17,-45.44,;38.8,-46.84,;37.67,-47.87,;38.94,-44.1,;38.16,-42.77,;40.48,-44.09,;41.24,-42.76,;42.72,-42.36,;42.32,-40.87,;40.83,-41.28,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NC1CCC1 |(-9.61,-3.87,;-8.28,-3.11,;-8.28,-1.56,;-6.95,-.79,;-6.64,.71,;-5.11,.88,;-4.48,-.52,;-5.62,-1.55,;-5.61,-3.11,;-6.95,-3.88,;-4.28,-3.87,;-4.28,-5.41,;-5.62,-6.18,;-2.95,-6.18,;-1.61,-5.41,;-.28,-6.18,;-1.62,-3.86,;-2.96,-3.1,;-2.96,-1.56,;-1.63,-.78,;-.3,-1.55,;1.04,-.77,;2.44,-1.39,;3.47,-.24,;2.69,1.09,;1.19,.76,;-4.34,2.22,;-5.12,3.55,;-2.8,2.22,;-2.04,3.56,;-.56,3.96,;-.97,5.45,;-2.45,5.04,)|
NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(12.06,3.36,;10.52,3.36,;9.74,4.69,;9.75,2.02,;8.23,1.85,;7.91,.35,;6.59,-.42,;6.58,-1.97,;5.25,-2.73,;7.92,-2.74,;9.25,-1.96,;9.25,-.41,;10.39,.62,;10.58,-2.73,;10.58,-4.27,;9.25,-5.04,;11.91,-5.04,;13.25,-4.27,;14.58,-5.03,;13.24,-2.72,;11.91,-1.96,;11.9,-.42,;13.23,.36,;14.57,-.41,;15.9,.37,;17.3,-.25,;18.33,.9,;17.55,2.23,;16.05,1.9,)|
CNC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(28.13,1.82,;27.35,3.15,;25.81,3.15,;25.03,4.48,;25.05,1.81,;23.52,1.64,;23.21,.14,;21.88,-.63,;21.88,-2.18,;20.54,-2.95,;23.21,-2.95,;24.55,-2.18,;24.54,-.62,;25.68,.41,;25.87,-2.94,;25.87,-4.48,;24.54,-5.25,;27.21,-5.25,;28.54,-4.48,;29.88,-5.25,;28.53,-2.93,;27.2,-2.17,;27.19,-.63,;28.52,.15,;29.86,-.62,;31.19,.16,;32.6,-.46,;33.62,.69,;32.85,2.02,;31.34,1.69,)|
CCNC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(44.4,3.73,;42.86,3.73,;42.1,2.39,;40.56,2.38,;39.78,3.71,;39.79,1.05,;38.27,.88,;37.95,-.62,;36.62,-1.39,;36.62,-2.94,;35.29,-3.71,;37.96,-3.71,;39.29,-2.94,;39.29,-1.39,;40.42,-.35,;40.62,-3.7,;40.62,-5.25,;39.29,-6.02,;41.95,-6.01,;43.29,-5.24,;44.62,-6.01,;43.28,-3.69,;41.94,-2.93,;41.94,-1.39,;43.27,-.62,;44.61,-1.38,;45.94,-.61,;47.34,-1.22,;48.37,-.07,;47.59,1.26,;46.09,.93,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NC1CC1 |(-9,-15.24,;-7.66,-14.47,;-7.66,-12.92,;-6.33,-12.15,;-6.02,-10.65,;-4.49,-10.48,;-3.86,-11.88,;-5,-12.92,;-4.99,-14.47,;-6.33,-15.24,;-3.66,-15.23,;-3.66,-16.78,;-5,-17.55,;-2.33,-17.54,;-1,-16.77,;.34,-17.54,;-1,-15.22,;-2.34,-14.46,;-2.35,-12.92,;-1.01,-12.15,;.32,-12.91,;1.65,-12.13,;3.06,-12.75,;4.09,-11.6,;3.31,-10.27,;1.8,-10.6,;-3.73,-9.14,;-4.5,-7.81,;-2.19,-9.14,;-1.42,-7.8,;-.09,-7.02,;-1.43,-6.25,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NC1CC(F)(F)C1 |(4.78,-16.81,;6.11,-16.04,;6.11,-14.5,;7.44,-13.73,;7.76,-12.23,;9.28,-12.06,;9.91,-13.46,;8.78,-14.49,;8.78,-16.04,;7.45,-16.82,;10.11,-16.81,;10.11,-18.35,;8.78,-19.12,;11.44,-19.12,;12.78,-18.35,;14.11,-19.11,;12.77,-16.8,;11.44,-16.04,;11.43,-14.5,;12.76,-13.72,;14.1,-14.49,;15.43,-13.71,;16.83,-14.33,;17.86,-13.18,;17.08,-11.85,;15.58,-12.17,;10.05,-10.72,;9.27,-9.39,;11.59,-10.72,;12.35,-9.38,;13.83,-8.98,;13.43,-7.49,;13.03,-6,;14.91,-7.09,;11.94,-7.9,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NC12CC(C1)C2 |(18.48,-15.32,;19.81,-14.55,;19.82,-13.01,;21.14,-12.24,;21.46,-10.74,;22.98,-10.57,;23.61,-11.97,;22.48,-13,;22.48,-14.55,;21.15,-15.33,;23.81,-15.32,;23.81,-16.86,;22.48,-17.63,;25.14,-17.63,;26.48,-16.86,;27.81,-17.62,;26.47,-15.31,;25.14,-14.55,;25.13,-13.01,;26.46,-12.23,;27.8,-13,;29.13,-12.22,;30.53,-12.84,;31.56,-11.69,;30.78,-10.36,;29.28,-10.68,;23.75,-9.23,;22.97,-7.9,;25.29,-9.23,;26.05,-7.89,;27.53,-7.49,;27.13,-6,;25.64,-6.41,;26.11,-6.64,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NCC(F)F |(34.26,-15.88,;35.59,-15.11,;35.59,-13.56,;36.92,-12.79,;37.23,-11.29,;38.76,-11.12,;39.39,-12.52,;38.25,-13.55,;38.26,-15.11,;36.92,-15.88,;39.59,-15.87,;39.59,-17.41,;38.25,-18.19,;40.92,-18.18,;42.26,-17.41,;43.59,-18.18,;42.25,-15.86,;40.91,-15.1,;40.91,-13.56,;42.24,-12.79,;43.57,-13.55,;44.9,-12.77,;46.31,-13.39,;47.34,-12.24,;46.56,-10.91,;45.06,-11.24,;39.53,-9.78,;38.75,-8.45,;41.07,-9.78,;41.83,-8.44,;43.37,-8.43,;44.13,-7.1,;44.15,-9.77,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NCC(F)(F)F |(-10.3,-27.03,;-8.97,-26.26,;-8.97,-24.72,;-7.64,-23.95,;-7.32,-22.45,;-5.8,-22.28,;-5.17,-23.68,;-6.3,-24.71,;-6.3,-26.26,;-7.64,-27.03,;-4.97,-27.03,;-4.97,-28.57,;-6.31,-29.34,;-3.64,-29.34,;-2.3,-28.57,;-.97,-29.33,;-2.31,-27.02,;-3.65,-26.26,;-3.65,-24.72,;-2.32,-23.94,;-.99,-24.71,;.34,-23.93,;1.75,-24.55,;2.78,-23.4,;2,-22.07,;.5,-22.39,;-5.03,-20.94,;-5.81,-19.61,;-3.49,-20.94,;-2.73,-19.6,;-1.19,-19.59,;-.43,-18.26,;-.41,-20.92,;.29,-19.19,)|
CC(F)(F)CNC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(6.7,-3.68,;7.3,-2.61,;7.93,-3.67,;8.54,-2.59,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-1.02,3.09,;-2.36,3.86,;-3.43,3.24,;-2.37,5.4,;-1.04,6.17,;-1.04,7.41,;.3,5.41,;.31,3.87,;1.64,3.11,;2.97,3.88,;4.31,3.12,;5.64,3.9,;5.77,5.42,;7.28,5.75,;8.06,4.42,;7.04,3.27,)|
COc1c(C)cnc(Cn2cc(CCCO)c3c(Cl)nc(N)nc23)c1C
Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)C#CCC(C)(C)O
COc1c(C)cnc(Cn2cc(C#CCCO)c3c(Cl)nc(N)nc23)c1C
COc1c(C)cnc(Cn2cc(C#CCO)c3c(Cl)nc(N)nc23)c1C
COc1c(C)cnc(Cn2cc(C#C)c3c(Cl)nc(N)nc23)c1C
COc1c(C)cnc(Cn2cc(-c3ccccc3)c3c(Cl)nc(N)nc23)c1C
COc1c(C)cnc(Cn2ccc3c(Cl)nc(N)nc23)c1C
CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)C(F)(F)F)C(=O)C1
O[C@@H]1C[C@H]2[C@@H](C[C@@]3(O)CO[C@@H](O1)[C@@H]23)OC(=O)c1ccc(O)cc1 |r|
O[C@@H]1[C@@H](O)[C@@]2(O)CO[C@H]3OCC[C@@H]1[C@@H]23 |r|
OC[C@H]1O[C@@H](O[C@H]2OC=CC3[C@@H](OC(=O)\C=C\c4ccc(O)c(O)c4)[C@H]4O[C@@]4(CO)C23)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8|
OC[C@]1(O)C[C@@H](OC(=O)c2ccc(O)cc2)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](COC(=O)c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 |r,c:18|
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@@H](C[C@@](O)(CO)[C@@H]23)OC(=O)\C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8|
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)[C@H]4[C@@H]([C@@H]([C@H]4c4ccc(O)cc4)C(=O)O[C@@H]4[C@@H]5O[C@]5(CO)[C@@H]5[C@H]4C=CO[C@H]5O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c4ccc(O)cc4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8,41|
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@@H](C[C@@](O)(CO)[C@@H]23)OC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8|
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)\C=C\c4ccc(O)cc4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8|
OC[C@H]1O[C@@H](O[C@@H]2OCC[C@H]3[C@H](OC(=O)c4ccc(O)cc4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)[C@H]4[C@@H]([C@H]([C@@H]4c4ccc(O)cc4)c4ccc(O)cc4)C(=O)O[C@@H]4[C@@H]5O[C@]5(CO)[C@@H]5[C@H]4C=CO[C@H]5O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8,49|
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccc(O)cc4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8|
CC1(C)Cc2c(C(=O)C1)c1ncccc1n2-c1ccc(cc1)C(N)=O
CC1(C)Cc2c(C(=O)C1)c1ccncc1n2-c1ccc(cc1)C(N)=O
CC1(C)Cc2c(C(=O)C1)c1cccnc1n2-c1ccc(cc1)C(N)=O
CC1(C)Cc2c(c3CCCCc3n2-c2ccc(cc2)C(N)=O)C(=O)C1
CC1(Cc2c(c3c(n2c4ccc(cc4)C(=O)N)CN(CC3)C)C(=O)C1)C
CN1CCCC2C(C1)N(C1=C2C(=O)CC(C)(C)C1)c1ccc(cc1)C(N)=O |c:10|
CC1(C)Cc2c(c3CCNCc3n2-c2ccc(cc2)C(N)=O)C(=O)C1
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1cc(F)c(C(N)=O)c(N[C@H]2CCOC2)c1 |r|
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(N[C@H]2CCOC2)c1 |r|
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NC2CCCC2)c1
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NCC2CC2)c1
COCCNc1cc(ccc1C(N)=O)-n1c2CN(C)CCc2c2c1CC(C)(C)CC2=O
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NC2CCSCC2)c1
CCCNc1cc(ccc1C(N)=O)-n1c2CN(C)CCc2c2c1CC(C)(C)CC2=O
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NC2CC2)c1
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NCC(F)F)c1
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NCC2(C)COC2)c1
CC(C)Nc1cc(ccc1C(N)=O)-n1c2CN(C)CCc2c2c1CC(C)(C)CC2=O
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NCC(C)(C)C)c1
CC(C)Nc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc2C(=O)NCc2c1
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc2C(=O)NCCc2c1
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc2c(CCCNC2=O)c1
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(CCC2CC2)c1
CC(C)Cc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C
CC1(C)Cc2c(c3CCCCc3n2-c2ccc(C(N)=O)c(N[C@H]3CCOC3)c2)C(=O)C1 |r|
Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)CC(C)C)C(=O)NCC4
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)C1CCCCC1
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)C1CCOCC1
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)C1CCC1
CCCCc1cc(cc2CCNC(=O)c12)-n1cc(C)c2c1CC(C)(C)CC2=O
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)C(C)(C)C
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc(Cc2ccccc2)c2C(=O)NCCc2c1
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)-c1ccccc1
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)-c1ccc(F)cc1
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)-c1cccc(F)c1
COc1ccc(cc1)-c1cc(cc2CCNC(=O)c12)-n1cc(C)c2c1CC(C)(C)CC2=O
CCNC(=O)c1noc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NCCCCCCC(=O)NO)c3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NCCCl)c3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NCCN4CCOCC4)c3C2)c(O)cc1O
CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NC4CCCC4)c3C2)c(O)cc1O
CCOC(=O)c1noc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc2CCN(Cc12)C(=O)c1cc(Cl)c(O)cc1O
CCOC(=O)c1noc2CCN(Cc12)C(=O)c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc2CCN(Cc12)C(=O)c1ccc(O)cc1O
CCNC(=O)c1noc2CCN(Cc3cc(Cl)c(O)cc3O)Cc12
CCOC(=O)c1noc2CCN(Cc12)C(=O)c1ccc(O)cc1O
COC(=O)c1noc2CCN(Cc12)C(C)=O
CCNC(=O)c1noc2CCN(Cc12)C(=O)Nc1cc(Cl)c(O)cc1O
CCNC(=O)c1noc2CCN(Cc12)C(=O)Nc1cc(C(C)C)c(O)cc1O
[#6]-[#8]-[#6]-[#6](=O)-[#7]-c1c(-[#6](=O)-[#8]-[#6])n(-[#6]-[#6]-[#6](-[#6])-[#6])c2ncc(-[#7]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])cc12
CCNC(=O)c1nnn(c1-c1ccc(CNCCN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(CNCCN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(CNCCCN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(CNC2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NCCCl)c1-c1ccc(CN2CCOCC2)cc1
CCCCCCCNC(=O)c1nnn(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NC2CCCC2)c1-c1ccc(CN2CCOCC2)cc1
CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NC2CCCCC2)c1-c1ccc(CN2CCOCC2)cc1
CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)N2CCOCC2)c1-c1ccc(CN2CCOCC2)cc1
CC(C)[C@H](NC(=O)c1nnn(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(O)=O |r|
CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NCCCCCCC(=O)NO)c1-c1ccc(CN2CCOCC2)cc1
CCNC(=O)c1nnn(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(OC(C)=O)cc1OC(C)=O
CC(C)c1cc(c(O)cc1O)-n1cc(nn1)-c1ccc(CN2CCN(CC2)c2ccccc2)cc1
CC(C)c1cc(c(O)cc1O)-n1cc(nn1)-c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
CC(C)c1cc(c(O)cc1O)-n1nncc1-c1ccc(CN2CCN(CC2)c2ccccc2)cc1
CC(C)c1cc(c(O)cc1O)-n1nncc1-c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
CC(C)c1cc(c(O)cc1O)-n1nncc1-c1ccc(CN2CCOCC2)cc1
CC(C)c1cc(c(O)cc1O)-n1nncc1-c1ccc(CN2CCCC(O)C2)cc1
CCNC(=O)c1nnn(c1-c1ccc(CN2CCCC(O)C2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(CN2CCC[C@@H](O)C2)cc1)-c1cc(C(C)C)c(O)cc1O |r|
CCNC(=O)c1nnn(c1-c1ccc(CN2CCC[C@H](O)C2)cc1)-c1cc(C(C)C)c(O)cc1O |r|
CCNC(=O)c1nnn(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(CN2CCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(Cn2ccnc2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(CN2CCCCC2CCO)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(CN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(CN(CC)CCO)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(CN2CCNCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(CN2CCC(CC2)N(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1)-c1cc(C(C)C)c(O)cc1O |r|
CCNC(=O)c1nnn(c1-c1ccc(CNC2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1nnn(c1-c1ccc(CNCC2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CN1CCN(CC1)C(=O)c1cc(c(O)cc1O)-n1ccc2ccccc12
Oc1cc(O)c(cc1C(=O)N1CCc2ccccc2C1)-n1ccc2ccccc12
Oc1cc(O)c(cc1C(=O)N1CCc2sccc2C1)-n1ccc2ccccc12
Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2ncccc12
Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2cnccc12
COc1ccc2n(cc(CCN)c2c1)-c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2c(Br)cccc12
Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2c(cccc12)[N+]([O-])=O
COC(=O)c1cccc2n(ccc12)-c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
CNC(=O)c1cccc2n(ccc12)-c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2cc(Br)ccc12
Cc1ccc2n(ccc2c1)-c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
Oc1cc(O)c(cc1Nc1ccccc1)C(=O)N1Cc2ccccc2C1
Cc1ccc(Nc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)cc1
Oc1cc(O)c(cc1Nc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1
CO[C@H]1C[C@H](C)CC2=C(NCC3CCN(CC3)C(=O)\C=C\c3ccc(O)c(OC)c3)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,42,t:34,40,53|
CO[C@H]1C[C@H](C)CC2=C(NCCCCNC(=O)\C=C\c3ccc(O)c(OC)c3)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,39,t:31,37,50|
CO[C@H]1C[C@H](C)CC2=C(NCCCCCCNC(=O)\C=C\c3ccc(O)c(OC)c3)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,41,t:33,39,52|
CO[C@H]1C[C@H](C)CC2=C(NCCCCCCNC(=O)\C=C\c3ccc(OC)c(OC)c3)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,42,t:34,40,53|
CO[C@H]1C[C@H](C)CC2=C(NCCCCCCNC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,44,t:36,42,55|
COc1ccc(cc1)-c1c(NC(=O)C2CC2)onc1-c1cc(Cl)c(O)cc1O
COc1ccc(cc1)-c1c(NC(=O)C2CCC2)onc1-c1cc(Cl)c(O)cc1O
COc1ccc(cc1)-c1c(NC(=O)C2CCCC2)onc1-c1cc(Cl)c(O)cc1O
COc1ccc(cc1)-c1c(NC(=O)C2CCCCC2)onc1-c1cc(Cl)c(O)cc1O
CCNC(=O)Nc1onc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
COc1ccc(cc1)-c1c(NC(C)=O)onc1-c1cc(Br)c(O)cc1O
COc1ccc(cc1)-c1c(NC(C)=O)onc1-c1ccc(O)cc1O
CCc1cc(-c2noc(NC(C)=O)c2-c2ccc(OC)cc2)c(O)cc1O
COc1ccc(cc1)-c1c(NC(C)=O)onc1-c1cc(c(O)cc1O)C(C)(C)C
COc1ccc(cc1)-c1c(NC(=O)C2CC2)onc1-c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCCCC3)cc2)c(O)cc1O
CCN(CC)Cc1ccc(cc1)-c1c(NC(=O)C2CC2)onc1-c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCN(C)CC3)cc2)c(O)cc1O
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCc4ccccc4C3)cc2)c(O)cc1O
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CC(C)OC(C)C3)cc2)c(O)cc1O
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CC(C)CC(C)C3)cc2)c(O)cc1O
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCCCC3C)cc2)c(O)cc1O
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCC(CC3)N(C)C)cc2)c(O)cc1O
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN(C)CCN(C)C)cc2)c(O)cc1O
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN(C)C3CCCCC3)cc2)c(O)cc1O
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCC(CC3)N3CCCC3)cc2)c(O)cc1O
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCC(CC3)N3CCOCC3)cc2)c(O)cc1O
COc1ccc(cc1)-c1c(NC(=O)C(C)(C)C)onc1-c1cc(Cl)c(O)cc1O
COc1ccc(cc1)-c1c(NC(=O)C(C)C)onc1-c1cc(Cl)c(O)cc1O
CCCC(=O)Nc1onc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
CCC(=O)Nc1onc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
COc1ccc(cc1)-c1c(NC(C)=O)onc1-c1cc(Cl)c(O)cc1O
COc1ccc(cc1)-c1c(N)onc1-c1cc(Cl)c(O)cc1O
COc1ccc(cc1)-c1c(NC(=O)CC(C)C)onc1-c1cc(Cl)c(O)cc1O
CCCCCCCC(=O)Nc1onc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCSCC3)cc2)c(O)cc1O
CC(C)N(Cc1ccc(cc1)-c1c(NC(=O)C2CC2)onc1-c1cc(C(C)C)c(O)cc1O)C(C)C
CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN(C)CCc3ccccc3)cc2)c(O)cc1O
COc1nc(cs1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
COc1ncc(s1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
COc1ccc(s1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
COc1nc(cnc1N)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
COc1nc(cnc1C)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
COc1cncc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
Cc1nc(N)nc2C[C@@H](NC(=O)c12)c1ccc(F)cc1-c1cccc(O)n1 |r|
CCOc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
COc1ccc(-c2cccc(OC)n2)c(c1)[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
COc1cccc(n1)-c1ccc(F)cc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
COc1ccc([C@H]2Cc3nc(N)nc(C)c3C(=O)N2)c(c1)-c1cccc(OC)n1 |r|
COc1cccc(n1)-c1cc(C)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
COc1cccc(n1)-c1ccccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
CO[C@H]1C[C@H](C)CC2=C(NCc3ccc(N)cc3)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,29,t:21,27,40|
CO[C@H]1C[C@H](C)CC2=C(NCc3ccc(Cl)nc3)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,29,t:21,27,40|
CO[C@H]1C[C@H](C)CC2=C(NCc3ccc(nc3)C(F)(F)F)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,32,t:24,30,43|
Cc1c2CCOc3cc(ccc3-n2c2CC(C)(C)CC(=O)c12)C(N)=O
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(cc1)C(N)=O
Cc1c2CCN(CCCC#C)c3cc(C(N)=O)c(Cl)cc3-n2c2CC(C)(C)CC(=O)c12
Cc1c2CCN(CC#N)c3cc(C(N)=O)c(Cl)cc3-n2c2CC(C)(C)CC(=O)c12
Cc1c2CCN(Cc3ccoc3)c3cc(C(N)=O)c(Cl)cc3-n2c2CC(C)(C)CC(=O)c12
CCCCCN1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2cc(Cl)c(cc12)C(N)=O
CC(C)CCN1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2cc(Cl)c(cc12)C(N)=O
Cc1c2CCN(CC#C)c3cc(C(N)=O)c(Cl)cc3-n2c2CC(C)(C)CC(=O)c12
CC(C)CN1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2cc(Cl)c(cc12)C(N)=O
CCCN1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2cc(Cl)c(cc12)C(N)=O
CCN1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2cc(Cl)c(cc12)C(N)=O
CN1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2cc(Cl)c(cc12)C(N)=O
Cc1c2CCNc3cc(C(N)=O)c(Cl)cc3-n2c2CC(C)(C)CC(=O)c12
Cc1c2CCOc3cc(C(N)=O)c(Cl)cc3-n2c2CC(C)(C)CC(=O)c12
CC1Cc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(cc2O1)C(N)=O
CCCC1Cc2c(C)c3c(CC(C)(C)CC3=O)n2-c2cc(Cl)c(cc2O1)C(N)=O
Nc1ncnc2n(CCCC#C)c(Sc3ccc(Br)cc3Cl)nc12
Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)cc(Br)c3)nc12
Nc1ncnc2n(CCCC#C)c(Sc3cc(Br)cc(Br)c3)nc12
Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)nc(Cl)c3)nc12
Nc1ncnc2n(CCCC#C)c(Sc3cc(cc(c3)C#N)C#N)nc12
Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)c(Cl)c3)nc12
Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)c(Cl)c3Cl)nc12
Cc1cc(c(c(c1)C)Sc2nc3c(ncnc3n2CCCC#C)N)C
Nc1ncnc2n(CCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12
Nc1ncnc2n(CCCCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12
CC#CCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12
Nc1ncnc2n(CCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12
Nc1ncnc2n(CCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12
Nc1ncnc2n(CCCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12
Nc1ncnc2n(CCCCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12
Nc1ncnc2n(CCCC#N)c(Sc3cc(Cl)cc(Cl)c3)nc12
Nc1ncnc2n(Cc3ccccc3)c(Sc3cc(Cl)cc(Cl)c3)nc12
Nc1ncnc2n(CCc3ccccc3)c(Sc3cc(Cl)cc(Cl)c3)nc12
CCCC(C)n1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12
CC(CC#C)n1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12
CCC(CC#C)n1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12
CCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12
CCCC(C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12
Nc1ncnc2n(CCC#C)c(Sc3ccc(Cl)cc3Cl)nc12
CC(CC#C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12
CCC(CC#C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12
Nc1ncnc2n(CCCC#C)c(nc12)[S+]([O-])c1ccc(Cl)cc1Cl
Nc1ncnc2n(CCCC#C)c(nc12)S(=O)(=O)c1ccc(Cl)cc1Cl
Nc1ncnc2n(CCCC#C)c(Oc3ccc(Cl)cc3Cl)nc12
Nc1ncnc2n(CCCC#C)c(Cc3ccc(Cl)cc3Cl)nc12
Nc1ncnc2n(CCCC#C)c(nc12)C(=O)c1ccc(Cl)cc1Cl
Nc1ncn(CCCC#N)c2nc(Sc3ccccc3Cl)nc12
COc1ccccc1Sc1nc2c(N)ncn(CCCC#N)c2n1
Nc1ncn(CCCC#N)c2nc(Sc3ccccc3CO)nc12
Nc1ncn(CCCC#N)c2nc(Sc3ccccc3OC(F)(F)F)nc12
Nc1ncn(CCCC#N)c2nc(Sc3ccc(Cl)cc3Cl)nc12
Cc1ccc(Sc2nc3c(N)ncn(CCCC#N)c3n2)c(C)c1
COc1ccc(Sc2nc3c(N)ncn(CCCC#N)c3n2)c(OC)c1
Nc1ncn(CCCC#N)c2nc(Sc3cc(Cl)ccc3Cl)nc12
Cc1ccc(C)c(Sc2nc3c(N)ncn(CCCC#N)c3n2)c1
Nc1ncn(CCCC#N)c2nc(Sc3cc(ccc3Cl)C(F)(F)F)nc12
Nc1ncn(CCCC#N)c2nc(Sc3cc(Cl)cc(Cl)c3)nc12
Cc1cc(C)cc(Sc2nc3c(N)ncn(CCCC#N)c3n2)c1
Nc1ncn(CCCC#N)c2nc(Sc3cc(Cl)c(Cl)cc3Cl)nc12
Cc1cc(C)c(Sc2nc3c(N)ncn(CCCC#N)c3n2)c(C)c1
CC(C)NCCCn1cnc(N)c2nc(Sc3ccc(C)cc3C)nc12
CC(C)NCCCn1cnc(N)c2nc(Sc3cc(Cl)cc(Cl)c3)nc12
CC(C)NCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12
CC(C)NCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)nccc12
CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)nccc12
CC(C)NCCCn1c(Sc2cc3OCOc3cc2N(C)C)nc2c(N)ncnc12
CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(F)nc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(OC)nc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1cnc2ccccc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(C)nc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1cccnc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(cc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NCc1ccc(cc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccco1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)N1CCOCC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)N(C)C)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)C1CCCCC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)C1CCCC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)C1CC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NC(C)=O)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NS(=O)(=O)c1ccc(C)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC(C)(C)NS(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CCNC(=O)c1cnc2ccccc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CCNC(=O)c1ccc2ccccc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CCNC(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CCNC(=O)c1ccc(cc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CN1CCN(CC1)C(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CN1CCC(CC1)NC(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CCN1CCSCC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CCN1CCS(=O)(=O)CC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CCN1C[C@H](C)O[C@H](C)C1)-c1cc(C(C)C)c(O)cc1O |r|
[#6]-[#6]-[#7]-[#6](=O)-c1noc(c1C#C[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#8]-[#6])-c1cc(-[#6](-[#6])-[#6])c(-[#8])cc1-[#8]
CCNC(=O)c1noc(c1C#CCN1CCOCC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC1CC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC1CCCC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#CC1CCCCC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#Cc1ccccc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1C#Cc1ccc(cc1)C(C)(C)C)-c1cc(C(C)C)c(O)cc1O
CC(C)NC(=O)c1noc(c1C#Cc1ccccc1)-c1cc(C(C)C)c(O)cc1O
CC(C)NC(=O)c1noc(c1C#CCN1CCOCC1)-c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(-c2onc(C(N)=O)c2C#CCN2CCOCC2)c(O)cc1O
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccoc1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccco1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)o1
COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(o3)Cl)Cl)O)O
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1oc(C)cc1C
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccs1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccsc1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)s1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)s1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cc(Cl)cs1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1sccc1Cl
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccno1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1nccs1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1sccc1C=C
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1occc1C=C
CCc1ccsc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccn1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccnc1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cncnc1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(F)cc1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)cc1
COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(cc3)Br)Cl)O)O
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(cc1)C#N
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(cc1)C#C
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(OC)cc1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc(F)c1
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1F
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1Cl
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1Br
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1C
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1OC
CCc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1OC(C)C
CCCOc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1C(F)(F)F
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1OC
CCCc1cc(C(=O)Cc2ccc3OCOc3c2)c(O)cc1O
CCCc1cc(C(=O)Cc2ccc(o2)C(=O)OCC)c(O)cc1O
Oc1ccc(C(=O)Cc2ccc3OCCCOc3c2)c(O)c1O
CCOC(=O)c1ccc(o1)-c1c(C)[nH]nc1-c1cc(CC)c(O)cc1O
CCc1cc(C(=O)Cc2ccc(OC)cc2)c(O)cc1O
COc1c(C)cnc(Cn2cc(Cc3ccc(C)cc3)c3c(Cl)nc(N)nc23)c1C
Nc1nc(Cl)c2c(Cc3ccccc3)cn(Cc3cc4OCOc4cc3Br)c2n1
Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)Cc4ccccc4
Nc1nc(Cl)c2c(Cc3ccccc3)cn(Cc3cc4OCOc4cc3I)c2n1
COc1cc(Cc2cn(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c23)ccc1Br
COc1c(C)cnc(Cn2cc(Cc3ccc(Cl)cc3)c3c(Cl)nc(N)nc23)c1C
COc1ccc(Cc2cn(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c23)cc1
COc1c(C)cnc(Cn2cc(Cc3cccc(C)c3)c3c(Cl)nc(N)nc23)c1C
COc1c(C)cnc(Cn2cc(Cc3cccc(c3)C(F)(F)F)c3c(Cl)nc(N)nc23)c1C
Oc1cc(O)c(cc1Cl)C(=O)N1CCc2ccsc2C1
CC(C)c1cc(C(=O)N2CCc3sccc3C2)c(O)cc1O
Oc1cc(O)c(cc1Cl)-c1nc2ccccc2o1
Oc1cc(O)c(cc1Cl)C(=O)N1CCN(CC1)c1ccccc1
Oc1cc(O)c(cc1Cl)C(=O)Nc1ccccc1
Oc1ccc(NC(=O)c2cc(Cl)c(O)cc2O)cc1
Oc1cc(O)c(cc1Cl)C(=O)N1CCc2ccccc2C1
COc1cc2CCN(C(c3cccnc3)c2cc1OC)C(=O)c1ccc(O)cc1O
COc1ccc(cc1)N(C)C(=O)c1ccc(O)cc1O
CC1CCc2cc(F)ccc2N1C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(C)C(=O)c1ccc(O)cc1O
C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(O)cc1O |r|
COc1ccc(CN(C)C(=O)c2ccc(cc2)N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1
Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1O
Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CN2CCCC2)cc1)C(=O)c1ccc(O)cc1O
Cc1cnc(Cl)nc1-c1ccc2N([C@H](CCc2c1)c1cccnc1)C(=O)c1ccc(O)cc1O |r|
Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O
c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O)O
Oc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)c(O)c1
C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)C(=O)N(C)Cc1ccc2nccnc2c1 |r|
C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)-c1nc(Cl)nc2[nH]ccc12 |r|
C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)-c1nc(Cl)ncc1C |r|
C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)-c1nc2ccccc2cc1C |r|
C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(O)cc1O |r|
CN(Cc1ccc2c(c1)nccn2)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(cc5O)O
C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)-c1nc(Cl)nc2ccsc12 |r|
CN(C(=O)c1ccc(O)cc1O)c1ccc(cc1)C(=O)N1CC(Oc2ccccc12)C(O)=O