1160 SMILES Strings for Heat shock protein HSP 90-beta

Compound Name
SMILES String
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|
C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:7.8,9.10|
CCc1cc(-c2n[nH]c(C)c2-c2ccc3OCCOc3c2)c(O)cc1O
Cc1[nH]nc(c1-c1ccc2OCCOc2c1)-c1ccc(O)cc1O
Cc1[nH]nc(c1-c1ccc2OCCOc2c1)-c1cc(Cl)c(O)cc1O
COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(O)cc1O
COc1ccc(cc1)-c1c(C)[nH]nc1-c1cc(Br)c(O)cc1O
COc1ccc(cc1)-c1c(C)[nH]nc1-c1cc(Cl)c(O)cc1O
COc1ccc(cc1)-c1c([nH]nc1-c1cc(Cl)c(O)cc1O)C(O)=O
COc1ccc(cc1)-c1c(n[nH]c1C(N)=O)-c1cc(Cl)c(O)cc1O
CNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Br)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
COc1ccc(cc1)-c1c(n[nH]c1C(=O)NC(C)C)-c1cc(Cl)c(O)cc1O
Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)Nc1ccccc1
Oc1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
COc1cccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)c1
COc1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)Nc1ccc(Cl)cc1
COc1ccc(cc1)N(C)C(=O)c1c[nH]nc1-c1cc(Cl)c(O)cc1O
CC(=O)Nc1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
CC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)NCc1ccccc1
COc1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
COc1cccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)c1
Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)NCc1ccc(F)cc1
Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)NCc1cccc(c1)C(F)(F)F
NS(=O)(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)NCc1ccco1
Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)Nc1ccccn1
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(NS(=O)(=O)c2ccc(F)cc2)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,;2.23,10.61,;.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(NS(=O)(=O)c2ccc(Cl)cc2)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,;2.23,10.61,;.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(NS(=O)(=O)c2ccc(Br)cc2)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,;2.23,10.61,;.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,)|
CCc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(c1)-c1c(O)ccc2ccccc12 |(2.24,12.15,;2.23,10.61,;.9,9.84,;-.43,10.61,;-1.77,9.84,;-1.77,8.3,;-.43,7.53,;.9,8.3,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-4.43,6.76,;-4.43,5.22,;-5.77,4.45,;-5.77,2.9,;-4.43,2.13,;-4.43,.59,;-3.1,2.9,;-3.1,4.45,;-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,)|
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(c1)-c1c(O)ccc2ccccc12 |(3.57,11.38,;2.23,10.61,;3,9.27,;1.46,11.94,;.9,9.84,;-.43,10.61,;-1.77,9.84,;-1.77,8.3,;-.43,7.53,;.9,8.3,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-4.43,6.76,;-4.43,5.22,;-5.77,4.45,;-5.77,2.9,;-4.43,2.13,;-4.43,.59,;-3.1,2.9,;-3.1,4.45,;-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(NS(=O)(=O)c2cc(Cl)ccc2Cl)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,;-.43,7.53,;.9,8.3,;2.23,7.53,;.9,9.84,;-.43,10.61,;-1.77,9.84,;-3.1,10.61,;-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,)|
Cc1cc(C)c(cc1C)S(=O)(=O)Nc1ccc(O)c(c1)-c1c(O)ccc2ccccc12 |(2.23,10.61,;.9,9.84,;-.43,10.61,;-1.77,9.84,;-3.1,10.61,;-1.77,8.3,;-.43,7.53,;.9,8.3,;2.23,7.53,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-4.43,6.76,;-4.43,5.22,;-5.77,4.45,;-5.77,2.9,;-4.43,2.13,;-4.43,.59,;-3.1,2.9,;-3.1,4.45,;-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(NS(=O)(=O)c2cccs2)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,;-2,9.82,;-.63,10.51,;.46,9.42,;-.25,8.05,;-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,)|
CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC
CCCCn1c(nc2c1ncnc2N)Cc3cc(ccc3OC)OC
CCCCn1c(Cc2cc(OC)ccc2Cl)nc2c(N)ncnc12
CCCCn1c(Cc2cc(OC)ccc2Br)nc2c(N)ncnc12
CCCCn1c(Cc2cc(OC)ccc2I)nc2c(N)ncnc12
CCCCn1c(Sc2cc(OC)ccc2OC)nc2c(N)ncnc12
COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
[#6]-[#8]-c1ccc(I)c(-[#16]-c2nc3c(-[#7])ncnc3n2-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1
COc1ccc(I)c(Sc2nc3c(N)nc(F)nc3n2CCCC#C)c1
COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N
CCC(CC)NCCCn1c(Sc2cc(OC)ccc2I)nc2c(N)ncnc12
CCC(C)NCCCn1c(Sc2cc(OC)ccc2I)nc2c(N)ncnc12
COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCNC(C)C)c1
COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCNC(C)(C)C)c1
COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCNCC(C)C)c1
COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCNCC(C)(C)C)c1
CCCCn1c(Sc2nc3ccccc3s2)nc2c(N)ncnc12
CCCCn1c(Sc2nc3cc(Cl)ccc3s2)nc2c(N)ncnc12
CCCCn1c(Sc2nc3c(Cl)cccc3s2)nc2c(N)ncnc12
CCCCn1c(Sc2nc3ccc(Cl)cc3s2)nc2c(N)ncnc12
CCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
CCCCn1c(Sc2nc3cccc(Br)c3s2)nc2c(N)ncnc12
CCCCn1c(Sc2nc3cccc(F)c3s2)nc2c(N)ncnc12
CCCCn1c(Sc2nc3cccc(C)c3s2)nc2c(N)ncnc12
CCCCn1c(Sc2nc3ccc(Cl)c(Cl)c3s2)nc2c(N)ncnc12
CCCCn1c(Sc2nc3cccc(OC)c3s2)nc2c(N)ncnc12
CCCCn1c(Sc2nc3cccc(OCC)c3s2)nc2c(N)ncnc12
CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
CCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
CC(=O)OCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
CC(=O)OCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
CC(=O)OCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
CCOP(=O)(CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12)OCC
Nc1ncnc2n(CCCCC#N)c(Sc3nc4cccc(Cl)c4s3)nc12
Nc1ncnc2n(CCO)c(Sc3nc4cccc(Cl)c4s3)nc12
Nc1ncnc2n(CCCO)c(Sc3nc4cccc(Cl)c4s3)nc12
Nc1ncnc2n(CCCCO)c(Sc3nc4cccc(Cl)c4s3)nc12
Nc1ncnc2n(CCN3CCOCC3)c(Sc3nc4cccc(Cl)c4s3)nc12
CC(C)(C)NCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
CC(C)(C)CNCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
Nc1ncnc2n(CCNC3CC3)c(Sc3nc4cccc(Cl)c4s3)nc12
CC(C)NCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
CC(C)(C)NCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
CCCCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc12
CCOP(=O)(CCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc12)OCC
CCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc12
CCOP(=O)(CCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc12)OCC
CC(=O)OCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc12
COc1ccc(OC)c(Cn2cnc3c(Cl)nc(N)nc23)c1
COc1cc(Cn2cnc3c(Cl)nc(N)nc23)cc(OC)c1OC
COc1cc(Cn2cnc3c(Cl)nc(N)nc23)c(Cl)c(OC)c1OC
COc1cc(Cn2cnc3c(Cl)nc(N)nc23)c(Br)c(OC)c1OC
COc1cc(Cn2cnc3c(Cl)nc(N)nc23)c(I)c(OC)c1OC
COc1cc(Cn2cnc3c(Br)nc(N)nc23)c(Br)c(OC)c1OC
COc1cc(Cn2cnc3c(N)nc(N)nc23)c(Br)c(OC)c1OC
COc1cc(Cn2cnc3c(OC)nc(N)nc23)c(Br)c(OC)c1OC
COc1cc(Cn2cnc3c2nc(N)[nH]c3=O)c(Cl)c(OC)c1OC
COc1cc(Cn2cnc3c2nc(N)[nH]c3=S)c(Br)c(OC)c1OC
COc1cc(Cn2cnc3cnc(N)nc23)c(Br)c(OC)c1OC
COc1cc(Cn2cnc3c(C)nc(N)nc23)c(Cl)c(OC)c1OC
COc1c(C)ncc(Cn2cnc3c(Cl)nc(N)nc23)c1C
Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N
Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1O
CCOc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
CC(C)Oc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
COc1c(C)c[n+]([O-])c(Cn2cnc3c(Cl)nc(N)nc23)c1C
COc1c(C)c(Cl)nc(Cn2cnc3c(Cl)nc(N)nc23)c1C
Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1Cl
Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1Br
Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1I
Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1[N+]([O-])=O
Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1N
Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1C#N
Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1C
CSc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1S(C)=O
Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1
CC(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCN(Cc2ccccc2)CC1
CCNC(=O)c1[nH]nc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1ccc(CNC(=O)C2CCCN(C)C2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1ccc(CNCCS(C)(=O)=O)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1ccc(CN2CCS(=O)(=O)CC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1ccc(CNC(=O)CC2CCCN2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1ccc(CN(CCO)CCO)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1cccc(CN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1cccc(CNCCN2CCCCC2)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1cccc(CNCc2ccccc2C(F)(F)F)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1cccc(CN2CCC(CO)CC2)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1cccc(CNCCOC)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1cccc(CNCCN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1cccc(CN(C)CCO)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1[nH]nc(c1-c1cccc(CN2CCC[C@H]2CO)c1)-c1cc(Cl)c(O)cc1O |r|
CCNC(=O)c1noc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCS(=O)(=O)CC2)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(CN2CCN(C)CC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)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(CN(C)C)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1cccc(CN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1-c1cccc(CN2CCN(C)CC2)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(CN2CCOCC2)cc1)-c1cc(CCc2ccccc2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(CC)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CCc2cccc(F)c2)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1C
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC(C)C)c(O)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)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(CN2CCOCC2)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(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNCc1ccc(cc1)-c1c(noc1-c1cc(c(O)cc1O)-c1ccccc1)C(=O)NCC
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(OC)cc1O
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(O)cc1OC
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(OC)cc1OC
Nc1ncnc2nc[nH]c12
c1ccc(c(c1)C(=O)N)N
COC(=O)Cc1cc(cc(c1)O)O
CCC(=O)c1ccc(cc1O)O
Cc1nc(nc(n1)SC)N
Cc1cc(nc(n1)N)OCCOC
Nc1ncc(\N=N\c2ccccc2)c(n1)-c1ccc(Cl)cc1Cl
CCOc1ccc(cc1)-c1c(C#N)c(N)nc2sc(C(N)=O)c(N)c12
CSc1nc(N)nc(n1)-c1ccccc1
CNC(=O)CSc1cc(C)nc(N)n1
NC(=O)c1cc2c(N)nc(N)nc2s1
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccccc1
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccc(Cl)cc1
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccc(C)cc1C
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccc(cc1C)C#N
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccc(Cl)cc1Cl
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN(CC)CC)c(Cl)cc1Cl
CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(N)nc2sc(cc12)C(=O)NC1CC1
CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(N)nc2sc(cc12)C(=O)NCC(F)(F)F
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN2CCCC2)c(Cl)cc1Cl
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN(C)C)c(Cl)cc1Cl
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCCN(C)C)c(Cl)cc1Cl
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCC(N)=O)c(Cl)cc1Cl
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCC#N)c(Cl)cc1Cl
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OC2CCN(CC)C2)c(Cl)cc1Cl
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCNC2CCCCC2)c(Cl)cc1Cl
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN2CCN(C)CC2)c(Cl)cc1Cl
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCNCCOC)c(Cl)cc1Cl
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN2CCC(F)(F)CC2)c(Cl)cc1Cl
Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
CCn1nc(Cc2ccccc2)nc2c1nc(=O)n(C)c2=O
CC(C)c1cc(-c2nnc(Nc3ccccc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CNc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1
CC(C)c1cc(-c2nnc(NCc3ccccc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CC(C)c1cc(-c2nnc(Nc3ccc4ncccc4c3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CC(C)c1cc(-c2nnc(Nc3cccc(N)c3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CC(C)c1cc(-c2nnc(Nc3cccc(c3)C(F)(F)F)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
COc1cccc(Nc2nnc(-c3cc(C(C)C)c(O)cc3O)n2-c2ccc3n(C)ccc3c2)c1
CC(C)c1cc(-c2nnc(NC(=O)c3ccccc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CC(C)c1cc(-c2nnc(NC(=O)c3cc(C)on3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CC(C)c1cc(-c2nnc(NC(C)=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CCCC(=O)Nc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1
COCC(=O)Nc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1
CC(C)C(=O)Nc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1
CC(C)c1cc(-c2nnc(NC(=O)c3ccco3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CC(C)c1cc(-c2nnc(NC(=O)Cc3ccccc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CC(C)c1cc(-c2nnc(NC(=O)c3ccc(F)c(F)c3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CC(C)c1cc(-c2nnc(NC(=O)C(F)(F)F)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CC(C)c1cc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CC(C)c1cc(-c2nnc(NC(=O)C3CCCC3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CCc1nc(-c2nnc(S)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CCc1cc(-c2nnc(S)n2-c2cccc3ccccc23)c(OC(=O)C(C)(C)C)cc1OC(=O)C(C)(C)C |(-1.96,4.55,;-.62,3.78,;-.62,2.24,;.71,1.47,;.71,-.07,;2.04,-.84,;2.52,-2.3,;4.06,-2.3,;4.54,-.84,;5.87,-.07,;3.29,.07,;3.29,1.61,;1.96,2.38,;1.96,3.92,;3.29,4.69,;4.62,3.92,;5.96,4.69,;7.29,3.92,;7.29,2.38,;5.96,1.61,;4.62,2.38,;-.62,-.84,;-.62,-2.38,;-1.96,-3.15,;-1.96,-4.69,;-3.29,-2.38,;-4.62,-3.15,;-3.29,-.84,;-1.96,-1.61,;-1.96,-.07,;-1.96,1.47,;-3.29,2.24,;-4.62,1.47,;-4.62,-.07,;-5.96,2.24,;-5.96,3.78,;-7.29,1.47,;-4.62,3.01,)|
CCc1cc(-c2nnc(S)n2-c2cccc3ccccc23)c(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 |(-1.34,4.49,;-0,3.72,;-0,2.18,;1.33,1.41,;1.33,-.13,;2.67,-.9,;3.14,-2.37,;4.68,-2.37,;5.16,-.9,;6.49,-.13,;3.91,0,;3.91,1.54,;2.58,2.31,;2.58,3.85,;3.91,4.62,;5.25,3.85,;6.58,4.62,;7.91,3.85,;7.91,2.31,;6.58,1.54,;5.25,2.31,;-0,-.9,;-0,-2.44,;-1.34,-3.21,;-1.34,-4.75,;-2.67,-2.44,;-3.76,-1.35,;-5.25,-1.75,;-5.64,-3.24,;-4.56,-4.33,;-3.07,-3.93,;-1.34,-.13,;-1.34,1.41,;-2.67,2.18,;-4,1.41,;-4,-.13,;-5.34,2.18,;-4.94,3.66,;-6.03,4.75,;-7.51,4.35,;-7.91,2.87,;-6.82,1.78,)|
COCCOc1ccc(-c2nnc(S)n2-c2cccc3ccccc23)c(O)c1 |(-7.96,1.09,;-6.62,.32,;-5.29,1.09,;-3.96,.32,;-2.62,1.09,;-1.29,.32,;.04,1.09,;1.38,.32,;1.38,-1.22,;2.71,-1.99,;3.19,-3.46,;4.73,-3.46,;5.2,-1.99,;6.54,-1.22,;3.96,-1.09,;3.96,.45,;2.62,1.22,;2.62,2.76,;3.96,3.53,;5.29,2.76,;6.62,3.53,;7.96,2.76,;7.96,1.22,;6.62,.45,;5.29,1.22,;.04,-1.99,;.04,-3.53,;-1.29,-1.22,)|
CCNC(=O)Sc1nnc(-c2ccc(OC(=O)N(C)C)cc2OC(=O)N(C)C)n1-c1cccc2ccccc12 |(9.23,-1.82,;7.75,-2.22,;6.66,-1.13,;5.17,-1.53,;4.77,-3.02,;4.08,-.44,;2.59,-.84,;2.12,-2.3,;.58,-2.3,;.1,-.84,;-1.23,-.07,;-1.23,1.47,;-2.57,2.24,;-3.9,1.47,;-5.23,2.24,;-6.57,1.47,;-6.57,-.07,;-7.9,2.24,;-9.23,1.47,;-7.9,3.78,;-3.9,-.07,;-2.57,-.84,;-2.57,-2.38,;-3.9,-3.15,;-3.9,-4.69,;-5.23,-2.38,;-5.23,-.84,;-6.57,-3.15,;1.35,.07,;1.35,1.61,;.01,2.38,;.01,3.92,;1.35,4.69,;2.68,3.92,;4.02,4.69,;5.35,3.92,;5.35,2.38,;4.02,1.61,;2.68,2.38,)|
CC(C)c1cc(-c2nnc(SSc3nnc(-c4cc(C(C)C)c(O)cc4O)n3-c3ccc(cc3)N(C)C)n2-c2ccc(cc2)N(C)C)c(O)cc1O
CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(ccc3c2)C(C)=O)c(O)cc1O
CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(ccc3c2)C(=O)CCNC(=O)OC(C)(C)C)c(O)cc1O
COCCC(=O)n1ccc2cc(ccc12)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O
CC(C)C(N)C(=O)OCn1nc(-c2cc(C(C)C)c(O)cc2O)n(-c2ccc3n(C)ccc3c2)c1=O
CC(C)c1cc(-c2nn(COC(=O)C(N)Cc3ccccc3)c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
CC(C)C(NC(=O)OC(C)(C)C)C(=O)OCn1nc(-c2cc(C(C)C)c(O)cc2O)n(-c2ccc3n(C)ccc3c2)c1=O
CC(C)c1cc(-c2nn(C(=O)CN)c(=O)n2-c2ccc3n(C)ccc3c2)c(OC(=O)CN)cc1OC(=O)CN
CC(N)C(=O)Oc1cc(OC(=O)C(C)N)c(cc1C(C)C)-c1nn(C(=O)C(C)N)c(=O)n1-c1ccc2n(C)ccc2c1
CC(C)c1cc(-c2nn(C(=O)C(N)Cc3ccccc3)c(=O)n2-c2ccc3n(C)ccc3c2)c(OC(=O)C(N)Cc2ccccc2)cc1OC(=O)C(N)Cc1ccccc1
COCCC(=O)Oc1nnc(-c2cc(C(C)C)c(OC(=O)CCOC)cc2O)n1-c1ccc2n(C)ccc2c1
COCCN(C)c1ccc(cn1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O
COC(CN(C)c1ccc(cn1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O)OC
COCCN(C)c1ccc(c[n+]1[O-])-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O
CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)CC(O)=O)c(O)cc1O
CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)CCN(C)C)c(O)cc1O
CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)C)c(O)cc1O
CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCN(C)CC2)c(O)cc1O
CC(C)c1cc(-c2nnc(O)n2-c2cccc(c2)S(=O)(=O)N(C)CCN(C)C)c(O)cc1O
CC(C)c1cc(-c2nnc(O)n2-c2ccc(C)c(c2)S(=O)(=O)N(C)C)c(O)cc1O
CC(C)c1cc(-c2nnc(O)n2-c2ccc(N(C)C)c(c2)S(N)(=O)=O)c(O)cc1O
CC(C)c1cc(-c2nnc(S)n2-c2cccc(c2)S(N)(=O)=O)c(O)cc1O
CC(C)c1cc(-c2nnc(O)n2-c2cccc(c2)S(=O)(=O)N2CCOCC2)c(O)cc1O
CC(C)c1cc(-c2nnc(O)n2-c2ccc(cc2)N(C)S(C)(=O)=O)c(O)cc1O
CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCOCC2)c(O)cc1O
CC(C)c1cc(-c2nnc(O)n2-c2ccc(OCCN3CCOCC3)nc2)c(O)cc1O
Oc1ccccc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(4.19,-4.84,;2.68,-5.16,;2.2,-6.62,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;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,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;8.36,-1.1,;6.82,1.57,)|
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,)|
Oc1ccc(c(O)c1)-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;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,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;8.36,-1.1,;6.82,1.57,)|
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,)|
CC(C)(C)c1ccc(O)c(c1)-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(4.27,-8.91,;3.23,-7.77,;4.38,-6.74,;2.09,-8.8,;2.2,-6.62,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;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,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;8.36,-1.1,;6.82,1.57,)|
Oc1cc(O)c(cc1Cl)-n1c2ccc(cc2[nH]c1=O)C#N |(.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,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,)|
NS(=O)(=O)c1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1 |(8.92,5.15,;7.59,4.38,;6.82,5.72,;8.36,3.05,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.65,.13,;2.68,-1.01,;2.2,-2.48,;3.23,-3.62,;.7,-2.8,;.22,-4.26,;-.33,-1.65,;.14,-.19,;-.89,.96,;1.22,2.84,;-.32,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,)|
Oc1cc(O)c(cc1Cl)-n1c2ccc(cc2[nH]c1=O)N(=O)=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,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;7.59,1.78,;8.92,-.53,)|
Oc1ccccc1-c1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-1.28,-8.73,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-4.38,-5.29,;-2.87,-4.97,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;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,;1.22,-1.3,;-.32,-1.3,)|
Oc1cc(O)c(cc1-c1ccc(Cl)cc1)-n1c2ccccc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-6.36,-7.08,;-4.38,-5.29,;-2.87,-4.97,;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,;1.22,-1.3,;-.32,-1.3,)|
CCCc1cc(c(cc1O)O)N2c3ccccc3NC2=O
COC(=O)c1cc(c(O)cc1OC)-n1c2c(Cl)cc(cc2[nH]c1=O)C(F)(F)F |(-3.82,-7.9,;-2.31,-7.58,;-1.84,-6.12,;-2.87,-4.97,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;-1.28,-8.73,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;4.92,-4.38,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;8.36,-1.1,;6.82,1.57,)|
COC(=O)c1ccc2n(-c3cc(Br)c(O)cc3O)c(=O)[nH]c2c1 |(8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.65,.13,;2.68,-1.01,;2.2,-2.48,;3.23,-3.62,;.7,-2.8,;.22,-4.26,;-.33,-1.65,;.14,-.19,;-.89,.96,;1.22,2.84,;-.32,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,)|
CC(C)c1ccc(O)c(c1)-c1cc(c(O)cc1O)-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(-5.8,-9.69,;-4.3,-9.37,;-3.27,-10.51,;-3.82,-7.9,;-4.85,-6.76,;-4.38,-5.29,;-2.87,-4.97,;-2.39,-3.51,;-1.84,-6.12,;-2.31,-7.58,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;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,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;8.36,-1.1,;6.82,1.57,)|
Oc1cc(O)c(cc1-c1ccc(c(F)c1)-c1ccccc1)-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-4.38,-5.29,;-5.41,-4.15,;-2.87,-4.97,;-6.36,-7.08,;-6.83,-8.54,;-8.34,-8.86,;-9.37,-7.72,;-8.89,-6.25,;-7.39,-5.93,;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,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;6.82,1.57,;8.36,-1.1,)|
Oc1cc(O)c(cc1-c1cccc(c1)C(=O)NC1CCCC1)-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-4.38,-5.29,;-2.87,-4.97,;-5.41,-4.15,;-4.93,-2.69,;-6.91,-4.47,;-7.94,-3.33,;-9.47,-3.49,;-10.1,-2.08,;-8.96,-1.05,;-7.62,-1.82,;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,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;6.82,1.57,;8.36,-1.1,)|
Oc1cc(O)c(cc1CCC1CCCCC1)-n1c2ccccc2[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,;2.76,-9.23,;3.79,-10.38,;5.3,-10.06,;6.33,-11.2,;5.85,-12.66,;4.34,-12.98,;3.31,-11.84,;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,;1.22,-1.3,;-.32,-1.3,)|
Oc1cc(O)c(cc1Cl)-n1c2cc(ccc2[nH]c1=O)-c1ccccc1 |(.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,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,;7.59,-2.84,;8.92,-2.07,;10.26,-2.84,;10.26,-4.38,;8.92,-5.15,;7.59,-4.38,)|
Oc1cc(O)c(cc1-c1ccc(OC(F)(F)F)cc1)-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-6.36,-7.08,;-6.83,-8.54,;-7.31,-10.01,;-8.3,-8.07,;-5.37,-9.02,;-4.38,-5.29,;-2.87,-4.97,;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,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;6.82,1.57,;8.36,-1.1,)|
Oc1cc(O)c(cc1-c1ccc(Cl)cc1Cl)-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-6.36,-7.08,;-4.38,-5.29,;-2.87,-4.97,;-2.39,-3.51,;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,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;6.82,1.57,;8.36,-1.1,)|
Oc1cc(O)c(cc1-c1cccc(c1)C(F)(F)F)-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-4.38,-5.29,;-2.87,-4.97,;-5.41,-4.15,;-6.44,-3.01,;-4.26,-3.12,;-6.55,-5.18,;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,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;6.82,1.57,;8.36,-1.1,)|
Oc1cc(O)c(cc1-c1ccnc2ccccc12)-n1c2ccccc2[nH]c1=O |(5.33,1.54,;4,2.31,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,4.62,;-.16,6.15,;.87,7.3,;.39,8.76,;-1.11,9.08,;-2.14,7.94,;-1.67,6.47,;-2.44,5.14,;-1.41,3.99,;-1.73,2.49,)|
COc1cc(cc(OC)c1OC)-c1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-6.91,-4.47,;-5.41,-4.15,;-4.38,-5.29,;-2.87,-4.97,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.3,-9.37,;-5.8,-9.69,;-4.85,-6.76,;-6.36,-7.08,;-6.83,-8.54,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;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,;1.22,-1.3,;-.32,-1.3,)|
Oc1cc(O)c(cc1CCc1ccc(F)cc1)-n1c2ccccc2[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,;2.76,-9.23,;3.79,-10.38,;5.3,-10.06,;6.33,-11.2,;5.85,-12.66,;6.88,-13.81,;4.34,-12.98,;3.31,-11.84,;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,;1.22,-1.3,;-.32,-1.3,)|
Oc1cc(O)c(cc1-c1ccc(Cl)cc1Cl)-n1c2ccccc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-6.36,-7.08,;-4.38,-5.29,;-2.87,-4.97,;-2.39,-3.51,;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,;1.22,-1.3,;-.32,-1.3,)|
Oc1cc(O)c(cc1-c1cccc(OC(F)(F)F)c1)-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-4.38,-5.29,;-5.41,-4.15,;-6.91,-4.47,;-8.42,-4.79,;-7.23,-2.96,;-6.59,-5.98,;-2.87,-4.97,;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,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;6.82,1.57,;8.36,-1.1,)|
COc1ccccc1-c1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-1.76,-10.19,;-1.28,-8.73,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-4.38,-5.29,;-2.87,-4.97,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;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,;1.22,-1.3,;-.32,-1.3,)|
OCc1cc(O)c(cc1Cl)-n1c2ccccc2[nH]c1=O |(1.25,-9.55,;.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,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)|
Oc1cc(CBr)c(Cl)cc1-n1c2ccccc2[nH]c1=O |(4.19,-4.84,;2.68,-5.16,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;-1.28,-8.73,;-.33,-5.8,;-1.84,-6.12,;.14,-4.33,;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,;1.22,-1.3,;-.32,-1.3,)|
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,)|
Cc1ccc(cc1)S(=O)(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1 |(14.26,9.77,;12.93,9,;12.93,7.46,;11.59,6.69,;10.26,7.46,;10.26,9,;11.59,9.77,;8.92,6.69,;8.15,8.03,;9.69,5.36,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.65,.13,;2.68,-1.01,;2.2,-2.48,;3.23,-3.62,;.7,-2.8,;.22,-4.26,;-.33,-1.65,;.14,-.19,;-.89,.96,;1.22,2.84,;-.32,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,)|
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(cc1-c1cccnc1O)-n1c2ccccc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-4.38,-5.29,;-2.87,-4.97,;-2.39,-3.51,;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,;1.22,-1.3,;-.32,-1.3,)|
CC1c2cc(c(O)cc2OC1(C)C)-n1c2ccccc2[nH]c1=O |(8.22,1.58,;8.7,.12,;10.16,-.36,;11.49,.41,;12.83,-.36,;12.83,-1.9,;14.16,-2.67,;11.49,-2.67,;10.16,-1.9,;8.7,-2.38,;7.79,-1.13,;6.45,-1.89,;6.45,-.37,;14.16,.41,;15.57,-.22,;16.04,-1.68,;17.55,-2,;18.58,-.86,;18.11,.61,;16.6,.93,;15.83,2.26,;14.32,1.94,;13.18,2.97,)|
Oc1cc(O)c(cc1CCc1ccc(Cl)cc1)-n1c2ccccc2[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,;2.76,-9.23,;3.79,-10.38,;5.3,-10.06,;6.33,-11.2,;5.85,-12.66,;6.88,-13.81,;4.34,-12.98,;3.31,-11.84,;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,;1.22,-1.3,;-.32,-1.3,)|
Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)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,;14.26,5.63,;12.93,3.32,;11.59,2.55,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)|
CC(C)c1ccc(cc1)S(=O)(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1 |(14.26,11.31,;14.26,9.77,;15.59,9,;12.93,9,;12.93,7.46,;11.59,6.69,;10.26,7.46,;10.26,9,;11.59,9.77,;8.92,6.69,;8.15,8.03,;9.69,5.36,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.65,.13,;2.68,-1.01,;2.2,-2.48,;3.23,-3.62,;.7,-2.8,;.22,-4.26,;-.33,-1.65,;.14,-.19,;-.89,.96,;1.22,2.84,;-.32,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,)|
c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl
CCc1cc(c(cc1O)O)N2c3ccccc3NC2=O
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,)|
Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3cccc(Cl)c3Cl)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,;14.26,2.55,;11.59,2.55,;11.59,1.01,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)|
Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccccc3O)cc2[nH]c1=O |(.22,-4.26,;.7,-2.8,;2.2,-2.48,;2.68,-1.01,;4.19,-.69,;1.65,.13,;.14,-.19,;-.33,-1.65,;-1.84,-1.97,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.15,8.03,;9.69,5.36,;10.26,7.46,;11.59,6.69,;12.93,7.46,;12.93,9,;11.59,9.77,;10.26,9,;8.92,9.77,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;-.32,2.84,)|
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,)|
Oc1cc(O)c(cc1Br)-n1c2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2[nH]c1=O |(9.56,-13.8,;10.03,-12.33,;9,-11.19,;9.48,-9.72,;8.45,-8.58,;10.99,-9.4,;12.02,-10.55,;11.54,-12.01,;12.57,-13.16,;11.46,-7.94,;12.93,-7.46,;14.26,-8.23,;15.59,-7.46,;15.59,-5.92,;16.93,-5.15,;16.93,-3.61,;18.26,-2.84,;19.03,-4.18,;17.49,-1.51,;19.59,-2.07,;19.59,-.53,;20.93,.24,;22.26,-.53,;23.6,.24,;24.93,-.53,;24.93,-2.07,;23.6,-2.84,;22.26,-2.07,;20.93,-2.84,;14.26,-5.15,;12.93,-5.92,;11.46,-5.45,;10.56,-6.69,;9.02,-6.69,)|
Oc1cc(O)c(cc1Br)-n1c2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2[nH]c1=O |(-8.7,-14.03,;-8.23,-12.57,;-9.26,-11.43,;-8.78,-9.96,;-9.81,-8.82,;-7.28,-9.64,;-6.24,-10.79,;-6.72,-12.25,;-5.69,-13.39,;-6.8,-8.18,;-5.33,-7.7,;-4,-8.47,;-2.67,-7.7,;-2.67,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;.77,-4.41,;-.77,-1.75,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;;1.33,-.77,;-4,-5.39,;-5.33,-6.16,;-6.8,-5.68,;-7.7,-6.93,;-9.24,-6.93,)|
Oc1cc(O)c(cc1Br)-n1c2ccc(CNS(=O)(=O)c3ccc(cc3)-c3ccccc3)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,;14.26,5.63,;14.26,7.17,;15.59,7.94,;16.93,7.17,;16.93,5.63,;15.59,4.86,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)|
Oc1ccc(c(O)c1)-n1c2ncccc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;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,;1.22,-1.3,;-.32,-1.3,)|
Oc1cc(O)c(cc1Br)-n1c2ccc(CNS(=O)(=O)Cc3ccccc3)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,;8.92,-.53,;10.26,.24,;11.03,-1.1,;9.49,1.57,;11.59,1.01,;12.93,.24,;14.26,1.01,;15.59,.24,;15.59,-1.3,;14.26,-2.07,;12.93,-1.3,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)|
Oc1ccc(c(O)c1)-n1c2ccc(CNS(=O)(=O)Cc3ccccc3)cc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;7.59,.24,;8.92,-.53,;10.26,.24,;11.03,-1.1,;9.49,1.57,;11.59,1.01,;12.93,.24,;14.26,1.01,;15.59,.24,;15.59,-1.3,;14.26,-2.07,;12.93,-1.3,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)|
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,)|
Clc1cc(ccc1-n1c2ccccc2[nH]c1=O)N(=O)=O |(4.19,-4.84,;2.68,-5.16,;2.2,-6.62,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;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,;1.22,-1.3,;-.32,-1.3,;.22,-8.41,;1.25,-9.55,;-1.28,-8.73,)|
Oc1ccccc1-n1c2cccc(Cl)c2[nH]c1=O |(-3.28,.58,;-2.25,1.73,;-2.73,3.19,;-1.7,4.34,;-.19,4.02,;.29,2.55,;-.74,1.41,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;2.53,-2.84,;2.53,-4.38,;1.2,-2.07,;-.27,-2.55,;-1.17,-1.3,;-2.71,-1.3,)|
Oc1ccc(cc1-n1c2c(cccc2[nH]c1=O)C(F)(F)F)C(F)(F)F |(-.89,-3.19,;.14,-4.33,;-.33,-5.8,;.7,-6.94,;2.2,-6.62,;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,;1.22,-1.3,;-.32,-1.3,;4.92,-4.38,;4.92,-5.92,;3.38,-4.38,;6.46,-4.38,;3.23,-7.77,;4.27,-8.91,;4.38,-6.74,;2.09,-8.8,)|
Oc1ccc(Cn2c3ccc(cc3[nH]c2=O)C#N)c(O)c1
NS(=O)(=O)c1ccc2n(Cc3ccc(O)cc3O)c(=O)[nH]c2c1
CCCCCc1ccc(cc1)-c1cc(c(O)cc1O)-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(-10.32,-10.65,;-8.82,-10.33,;-8.34,-8.86,;-6.83,-8.54,;-6.36,-7.08,;-4.85,-6.76,;-4.38,-5.29,;-2.87,-4.97,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;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,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;8.36,-1.1,;6.82,1.57,)|
Oc1cc(O)c(cc1-c1cccc(c1)C(=O)NCc1ccccc1)-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-4.38,-5.29,;-2.87,-4.97,;-5.41,-4.15,;-6.91,-4.47,;-4.93,-2.69,;-5.96,-1.54,;-5.48,-.08,;-6.52,1.07,;-6.04,2.53,;-4.53,2.85,;-3.5,1.71,;-3.98,.24,;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,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;6.82,1.57,;8.36,-1.1,)|
COc1cc(C#N)c(Cl)cc1-n1c2ccccc2[nH]c1=O |(5.22,-5.98,;4.19,-4.84,;2.68,-5.16,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;-.25,-9.87,;-.33,-5.8,;-1.84,-6.12,;.14,-4.33,;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,;1.22,-1.3,;-.32,-1.3,)|
COc1cc(C(=O)NOCc2ccccc2)c(Cl)cc1-n1c2ccccc2[nH]c1=O |(5.22,-5.98,;4.19,-4.84,;2.68,-5.16,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;1.25,-9.55,;-1.28,-8.73,;-1.76,-10.19,;-3.27,-10.51,;-3.74,-11.98,;-2.71,-13.12,;-3.19,-14.59,;-4.69,-14.91,;-5.72,-13.76,;-5.25,-12.3,;-.33,-5.8,;-1.84,-6.12,;.14,-4.33,;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,;1.22,-1.3,;-.32,-1.3,)|
CC1(O)Oc2cc(O)c(cc2-c2ccccc12)-n1c2ccccc2[nH]c1=O |(-5.05,-15.11,;-3.75,-14.29,;-3.17,-15.72,;-4.78,-13.15,;-4.3,-11.68,;-5.33,-10.54,;-4.86,-9.08,;-5.89,-7.93,;-3.35,-8.76,;-2.32,-9.9,;-2.79,-11.36,;-1.76,-12.51,;-.26,-12.19,;.77,-13.33,;.3,-14.8,;-1.21,-15.12,;-2.24,-13.97,;-2.87,-7.29,;-1.41,-6.82,;-.07,-7.59,;1.26,-6.82,;1.26,-5.28,;-.07,-4.51,;-1.41,-5.28,;-2.87,-4.8,;-3.78,-6.05,;-5.32,-6.05,)|
Cc1cc(nc(N)n1)-c1ccc(Cl)c(Cl)c1
Cc1cc(nc(N)n1)-c1ccccc1-c1ccccc1
Nc1nc(Cl)cc(n1)-c1ccc(cc1)C#N
Cc1cc(nc(N)n1)-c1cc2ccccc2s1
Cc1cc(nc(N)n1)-c1cccc2ccccc12
CCCCOc1ccccc1-c1cc(C)nc(N)n1
CC(C)Oc1ccccc1-c1cc(C)nc(N)n1
COc1cccc(OC)c1-c1cc(C)nc(N)n1
COc1ccc(cc1OC)-c1cc(C)nc(N)n1
Nc1nc(cc(n1)C(F)(F)F)-c1ccccc1Cl
Cc1cc(nc(N)n1)-c1ccc(cc1Cl)N(=O)=O
Nc1nc(NCCO)cc(n1)-c1ccc(Cl)cc1Cl
Nc1nc(NCCN2CCOCC2)cc(n1)-c1ccc(Cl)cc1Cl
Cc1cc(nc(N)n1)-c1ccc(cc1Cl)C#N
Nc1nc(cc(n1)-c1ccc(cc1Cl)C(F)(F)F)-c1ccc(cc1Cl)C(F)(F)F
Nc1nc(Cl)cc(n1)-c1ccc(cc1Cl)N(=O)=O
Nc1nc(Cl)cc(n1)-c1cc2ccccc2cc1Cl
Nc1nc(cc(n1)-c1ccc(Cl)cc1Cl)-c1ccoc1
CC(=O)c1ccccc1-c1cc(nc(N)n1)-c1ccc(Cl)cc1Cl
Cc1ccccc1-c1cc(nc(N)n1)-c1ccc(Cl)cc1Cl
CCOc1cccc(c1)-c1cc(nc(N)n1)-c1ccc(Cl)cc1Cl
COc1ccc(c(OC)c1)-c1cc(nc(N)n1)-c1ccc(Cl)cc1Cl
CO\N=C\c1c(Cl)nc(N)nc1-c1ccc(Cl)cc1Cl
Nc1nc(c(C=O)c(n1)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1Cl
Nc1nc(Cl)c(\C=N\O)c(n1)-c1ccc(Cl)cc1Cl
Nc1nc(Cl)c(\C=N\OCC(O)=O)c(n1)-c1ccc(Cl)cc1Cl
CCNC(=O)CO\N=C\c1c(Cl)nc(N)nc1-c1ccc(Cl)cc1Cl
Cc1cc(CO)n(n1)-c1cc(C)nc(N)n1
CCOC(=O)CO\N=C\c1c(Cl)nc(N)nc1-c1ccc(Cl)cc1Cl
CN(CCc1ccccc1)C(=O)c1cc(C)n(n1)-c1cc(C)nc(N)n1
CN(CCc1ccccn1)C(=O)c1cc(C)n(n1)-c1cc(C)nc(N)n1
CC(C)[C@H](CO)NC(=O)c1cc(C)n(n1)-c1cc(C)nc(N)n1
Cc1cc(nn1-c1cc(C)nc(N)n1)C(=O)NCC1COC(C)(C)O1
COc1ccc(Nc2ccc(NC(=O)c3cc(C)n(n3)-c3cc(C)nc(N)n3)cc2)cc1
Cc1cc(CNc2nccs2)n(n1)-c1cc(C)nc(N)n1
Cc1cc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)n(n1)-c1cc(C)nc(N)n1
Cc1cc(C=C)nc(N)n1
Nc1nc2ncnn2c(-c2ccc(Cl)cc2Cl)c1C#N |(5.2,1.3,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;2.53,5.92,;1.2,6.69,;1.2,8.23,;2.53,9,;2.53,10.54,;3.86,8.23,;3.86,6.69,;5.2,5.92,;3.86,3.61,;5.2,4.38,;6.53,5.15,)|
Nc1nc(-c2ccc(Cl)cc2Cl)c2cccn2n1
CC(C)(C)OC(=O)\C=C\c1c(Cl)nc(N)nc1-c1ccc(Cl)cc1Cl
Cc1ccc(c(C)c1)-c1nc(N)nn2cncc12
Nc1nc(Cl)c(C#N)c(n1)-c1ccc(Cl)cc1Cl
Nc1nc(-c2ccc(Cl)cc2Cl)c2ccnn2n1
Nc1nc(-c2ccc(Cl)cc2Cl)c2ncnn2n1
Cc1cc(nc(N)n1)-c1ccc(cc1C(F)(F)F)C(F)(F)F
Cc1cc(NCCCCNC(=O)OC(C)(C)C)nc(N)n1
Cc1cc(\C=C\CCO\C=C2/CCOC2=O)nc(N)n1
Nc1nc(cc(n1)-c1cccc2Sc3ccccc3Sc12)-c1ccc(Cl)cc1Cl
Cc1cc(N)n(n1)-c1cc(C)nc(N)n1
COc1ccc(CCN(C)C(=O)c2cc(C)n(n2)-c2cc(C)nc(N)n2)cc1OC
Cc1cc(nn1-c1cc(C)nc(N)n1)C(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Cc1cc(nn1-c1cc(C)nc(N)n1)C(=O)Nc1ccc2[nH]ncc2c1
Cc1cc(CN)nc(N)n1
CN(C\C=C\c1cc(C)nc(N)n1)C(=O)c1ccn[nH]1
Cc1cc(CNC(=O)N2CCN(C2=O)S(C)(=O)=O)nc(N)n1
Oc1ccc(Sc2ccc(O)c(Br)c2)cc1Br
O=C1c2ccccc2-c2ccccc12
OC(=O)[C@]12CCCCC1C[C@H](CC2)OC(=O)\C=C\c1ccc(O)c(O)c1
Cc1cc(O)nc(O)c1C(=O)\C=C\c1ccccc1
Nc1nc(N)nc(n1)-c1cc2ccccc2cc1Br
Nc1nc(N)nc(n1)-c1cc2ccccc2cc1Cl
CCOC(=O)C1Cc2cc(C(=O)c3ccccc3F)c(O)c(O)c2O1
Cn1c2c(C(=O)c3ccccc3C2=O)[n+](C)c1CCl
OC(=O)c1ccc(Nc2cc3C(=O)c4ccccc4C(=O)c3c3nonc23)cc1
OC(=O)c1cccc(Nc2cc3C(=O)c4ccccc4C(=O)c3c3nonc23)c1
Cc1ccccc1Nc1cc2C(=O)c3ccccc3C(=O)c2c2nonc12
CN(C)Cc1cc(C(=O)c2cc(CN(C)C)c(O)c(Cl)c2Cl)c(Cl)c(Cl)c1O
Oc1ccc(cc1)C(=O)c1ccc(O)c(Cl)c1Cl
COc1ccc(cc1)C(=O)c1ccc(O)c(Cl)c1Cl
Cc1nn(C)c(O)c1-c1cc(O)c2ccccc2c1O |(-1.73,-.95,;-1.41,-2.45,;-2.44,-3.6,;-1.67,-4.93,;-2.29,-6.34,;-.16,-4.61,;.98,-5.64,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,)|
c1cc(ccc1C(=O)c2ccc(c(c2O)O)O)O
CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(Cl)c2)c(Cl)c1Cl
Oc1ccc(C(=O)c2ccc(O)c(O)c2O)c(O)c1
Oc1ccc(C(=O)c2ccc(F)cc2)c(Cl)c1Cl
CCOc1ccc(cc1)C(=O)c1ccc(O)c(Cl)c1Cl
CCO\N=C(\CC)c1cc(C(=O)c2ccccc2)c(O)cc1O
Oc1ccc(C(=O)c2ccc(NCC3CCCCC3)cc2)c(Cl)c1Cl
Oc1ccc(C(=O)c2cccs2)c(Cl)c1Cl
Oc1ccc(C(=O)c2ccccc2C(F)(F)F)c(Cl)c1Cl
CCOC(=O)CC1(C)Oc2ccccc2O1
COc1ccc(cc1)C(=O)c1cc(Cl)c(O)cc1O
CCN(CC)c1nc(NCc2ccccc2)nc2[nH]cnc12
CNc1ccc(cc1)C(=O)c1ccc(O)c(Cl)c1Cl
c1ccc(cc1)C(=O)c2ccc(c(c2O)O)O
COc1ccc(cc1)C(=O)c1ccc(O)c(Cl)c1N1CCCCC1
CCCC(=O)c1cc(O)c(O)c(O)c1
COc1ccc(cc1)C(=O)c1ccc(O)c(Br)c1
c1ccc2c(c1)C(=O)C(=O)NC2=O
Oc1ccc(cc1)C(=O)c1cc(Cl)c(O)cc1O
Oc1ccc(Sc2ccc(O)cc2O)c(O)c1
Cc1cc(Sc2ccc(O)c(C)c2)ccc1O
Nc1ccc2cc(NCCc3ccccc3)cc(Nc3ncccn3)c2n1
Oc1ccc(cc1)C(=O)c1cc(Cl)c(O)c(c1)N1CCCCC1
Cc1oc2c(O)c(O)ccc2c(=O)c1-c1ccc(Cl)cc1
Oc1ccc(cc1)C(=O)c1ccc(O)cc1Cl
O=C1c2ccccc2C(=O)c2c1ccc1nonc21
Oc1cc(O)c(cc1Cl)C(=O)c1ccccc1
c1ccc(cc1)C(=O)c2ccc(cc2O)O
c1cc(ccc1C(=O)c2cc(ccc2O)Cl)O
CC(=O)Oc1ccc(c2ccccc12)N(=O)=O
Nc1cc(O)c(Cl)cc1C(=O)c1ccc(O)cc1
Oc1ccc(cc1Cl)C(=O)c1ccccc1
Oc1cccc(c1)C(=O)c1cc(Cl)c(O)cc1O
Cc1c(O)c(CC=C)cc(C(=O)c2ccccc2F)c1O
c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O
OCCOc1ccc(C(=O)c2cc(Cl)c(O)c(CNC(=O)CCl)c2)c(Cl)c1Cl
Cc1cc(nc(n1)N)C(F)(F)F
c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O
CC(=O)Oc1ccc2c(oc(C)c(Cc3ccccc3)c2=O)c1OC(C)=O
c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O
c1cc(ccc1C(=O)c2ccc(cc2O)O)O
Nc1ccc(N)c2C(=O)c3c(O)c(O)cc(O)c3C(=O)c12
Oc1ccc(C(=O)c2ccc(NCc3ccccc3)cc2)c(Cl)c1Cl
Nc1nc(N)nc(n1)-c1ccccc1Cl
COc1cc(F)c(Cl)cc1C(=O)c1ccc(OCc2ccccc2)cc1
CC(C)(C)c1ccc(cc1)C(=O)c1ccc(O)cc1O
COC(=O)c1cc(cc(C(=O)OC)c1OC)C(=O)c1ccc(OC)cc1
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
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
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(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)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
Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)N[C@H]4CCOC4
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
CC1(Cc2c(c3c(n2c4ccc(cc4)C(=O)N)CN(CC3)C)C(=O)C1)C
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
COc1cc(OC)c(OC)cc1CN1CCc2nc(ncc2C1)N1CCOCC1
C(N1CCc2nc(Nc3ccc4OCCOc4c3)ncc2C1)c1ccc2OCCOc2c1
Fc1ccc(CN2CCc3nc(ncc3C2)N2CCN(CC2)c2ncccn2)cc1
Clc1ccc(CN2CCc3nc(ncc3C2)N2CCN(CC2)c2ncccn2)cc1
CN1CCN(CC1)c1ncc2CN(Cc3ccc(Br)s3)CCc2n1
COc1cc(CN2CCc3nc(ncc3C2)N2CCOCC2)cc(OC)c1OC
CN(C)c1ccc(CN2CCc3nc(ncc3C2)N2CCN(CC2)c2ncccn2)cc1
CCN1CCN(CC1)c1ncc2CN(Cc3ccc(Br)s3)CCc2n1
CCCN1CCN(CC1)c1ncc2CN(Cc3cc(Br)cs3)CCc2n1
COc1ccc(OC)c(CN2CCc3nc(ncc3C2)N2CCN(CC2)c2ncccn2)c1
CC1CCN(CC1)c1ncc2CN(Cc3ccc(Br)s3)CCc2n1
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|
CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)C
COc1ccc(OC)c(c1)C(=O)N1CCc2nc(ncc2C1)N1CCN(CC1)c1ncccn1
Fc1ccc(cc1)C(=O)N1CCc2nc(ncc2C1)N1CCN(CC1)c1ncccn1
Clc1ccc(cc1)C(=O)N1CCc2nc(ncc2C1)N1CCN(CC1)c1ncccn1
COc1ccc(C(=O)N2CCc3nc(ncc3C2)N2CCN(CC2)c2ncccn2)c(OC)c1
Oc1ccc(C(=O)N2CCc3nc(ncc3C2)N2CCN(CC2)c2ncccn2)c(O)c1
Oc1cc(O)c(cc1Cl)C(=O)N1CCc2nc(ncc2C1)N1CCN(CC1)c1ncccn1
Nc1ncc2CN(CCc2n1)C(=O)c1cc(Cl)c(O)cc1O
Cc1ncc2CN(CCc2n1)C(=O)c1cc(Cl)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
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|
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|
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
Oc1cc(O)c2C[C@@H](OC(=O)c3ccccc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Oc1cc(O)c2C[C@@H](OC(=O)c3ccc(F)cc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Oc1cc(O)c2C[C@@H](OC(=O)c3ccc(F)c(F)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Oc1cc(O)c2C[C@@H](OC(=O)c3ccncc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Oc1cc(O)c2C[C@@H](OC(=O)C3CCCCC3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Oc1cc(O)c2C[C@@H](NC(=O)c3ccccc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Oc1cc(O)c2C[C@@H](NS(=O)(=O)c3ccccc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Oc1cc(O)c2C[C@H](OC(=O)C3CCCCC3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Oc1cc(O)c2C[C@H](OC(=O)c3ccccc3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
O[C@H]1CC[C@H](CC1)C(=O)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r,wU:10.10,4.7,1.0,wD:21.24,(60.47,-41.94,;59.14,-41.17,;57.8,-41.94,;56.47,-41.16,;56.48,-39.62,;57.81,-38.85,;59.14,-39.62,;55.15,-38.85,;53.82,-39.62,;55.16,-37.31,;53.82,-36.54,;52.48,-37.31,;51.14,-36.53,;49.81,-37.3,;49.81,-38.84,;48.47,-36.53,;48.48,-34.98,;47.14,-34.21,;49.8,-34.21,;51.14,-34.98,;52.48,-34.2,;53.83,-34.98,;55.16,-34.21,;56.49,-35,;57.83,-34.23,;57.83,-32.69,;59.17,-31.92,;56.49,-31.92,;56.49,-30.38,;55.16,-32.69,)|
Oc1cc(O)c2C[C@@H](OC(=O)[C@@H]3CC[C@H](F)CC3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r,wU:11.10,14.14,wD:18.24,7.7,(-.5,-47.41,;.84,-48.18,;.84,-49.73,;2.17,-50.5,;2.17,-52.04,;3.5,-49.73,;4.84,-50.51,;6.19,-49.73,;7.52,-50.51,;7.51,-52.05,;6.18,-52.81,;8.84,-52.82,;8.83,-54.36,;10.16,-55.13,;11.5,-54.37,;12.83,-55.14,;11.5,-52.82,;10.17,-52.05,;6.19,-48.18,;4.84,-47.4,;3.5,-48.18,;2.17,-47.41,;7.52,-47.41,;8.85,-48.19,;10.19,-47.43,;10.19,-45.89,;11.53,-45.12,;8.85,-45.11,;8.85,-43.57,;7.52,-45.88,)|
Oc1cc(O)c2C[C@@H](OC(=O)[C@H]3CC[C@H](F)CC3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r,wU:11.10,wD:18.24,7.7,14.14,(11.85,-47.98,;13.19,-48.75,;13.19,-50.29,;14.52,-51.07,;14.52,-52.61,;15.85,-50.3,;17.19,-51.07,;18.54,-50.3,;19.87,-51.08,;19.86,-52.62,;18.53,-53.38,;21.2,-53.39,;22.52,-52.62,;23.85,-53.39,;23.85,-54.94,;25.18,-55.71,;22.51,-55.7,;21.18,-54.93,;18.54,-48.75,;17.19,-47.96,;15.85,-48.74,;14.52,-47.98,;19.87,-47.98,;21.2,-48.76,;22.54,-48,;22.54,-46.45,;23.88,-45.69,;21.2,-45.68,;21.2,-44.14,;19.87,-46.45,)|
Oc1cc(O)c2C[C@@H](OC(=O)C3CCCCC3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
O[C@H]1CC[C@H](CC1)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r,wU:4.7,1.0,wD:21.24,10.10,(52.18,-55.64,;50.85,-54.87,;49.51,-55.64,;48.18,-54.86,;48.19,-53.33,;49.52,-52.56,;50.85,-53.32,;46.86,-52.55,;45.52,-53.32,;46.86,-51.01,;45.53,-50.24,;44.18,-51.01,;42.85,-50.23,;41.52,-51,;41.52,-52.54,;40.18,-50.23,;40.18,-48.69,;38.85,-47.92,;41.51,-47.92,;42.85,-48.68,;44.19,-47.9,;45.53,-48.68,;46.87,-47.92,;48.2,-48.7,;49.53,-47.93,;49.54,-46.39,;50.87,-45.62,;48.2,-45.62,;48.2,-44.08,;46.87,-46.39,)|
O[C@H]1CC[C@@H](CC1)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r,wU:4.7,wD:21.24,10.10,1.0,(67.59,-55.41,;66.26,-54.64,;66.25,-53.09,;64.92,-52.32,;63.6,-53.09,;63.59,-54.63,;64.92,-55.41,;62.27,-52.32,;60.93,-53.09,;62.27,-50.78,;60.94,-50.01,;59.59,-50.78,;58.25,-50,;56.92,-50.77,;56.92,-52.31,;55.59,-50,;55.59,-48.45,;54.26,-47.68,;56.92,-47.68,;58.26,-48.45,;59.6,-47.67,;60.94,-48.45,;62.28,-47.68,;63.61,-48.47,;64.94,-47.7,;64.95,-46.16,;66.28,-45.39,;63.61,-45.39,;63.6,-43.85,;62.28,-46.16,)|
Oc1cc(O)c2C[C@@H](OC(=O)C3CC3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Oc1cc(O)c2C[C@@H](OC(=O)c3ccccc3)[C@H](Oc2c1)c1ccccc1 |r|
Oc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2ccccc2O[C@@H]1c1ccccc1 |r|
Oc1cc(O)c2C[C@H](OC(=O)c3ccccc3)[C@H](Oc2c1)c1ccccc1 |r|
Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccccc1 |r|
c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N
Nc1nc2c3ccc(F)cc3nc(Cc3ccc4OCOc4c3)n2n1
c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)S(=O)(=O)N)OCO2
c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N
Nc1nc2c3c(F)cc(F)cc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3c(Cl)cccc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3ccc(O)cc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3cccc(O)c3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
NCc1ccc2nc(Cc3ccc4OCOc4c3)n3nc(N)nc3c2c1
OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2
NCCNc1ccc2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
CN(C)CCNc1ccc2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
Nc1nc2c3ccc(NCCN4CCCC4)cc3nc(Cc3ccc4OCOc4c3)n2n1
CN1CCN(CC1)c1ccc2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
COCCNc1ccc2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
Nc1nc2c3ccc(cc3nc(Cc3ccc4OCOc4c3)n2n1)C(=O)NCCO
Nc1nc2c3ccc(cc3nc(Cc3ccc4OCOc4c3)n2n1)C(=O)NCCCO
Nc1nc2c3c(NCCO)cccc3nc(Cc3ccc4OCOc4c3)n2n1
CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
Nc1nc2c3c(NCCO)cc(F)cc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3c(NCCCO)cc(F)cc3nc(Cc3ccc4OCOc4c3)n2n1
COCCNc1cc(F)cc2nc(Cc3ccc4OCOc4c3)n3nc(N)nc3c12
NCCNc1cc(F)cc2nc(Cc3ccc4OCOc4c3)n3nc(N)nc3c12
CN1CCN(CC1)c1cc(F)cc2nc(Cc3ccc4OCOc4c3)n3nc(N)nc3c12
CCCc1nc2ccccc2c3n1nc(n3)N
CCCc1nc2c(OC)cccc2c2nc(N)nn12
CCCc1nc2cccc(F)c2c2nc(N)nn12
CCCc1nc2c(C)cccc2c2nc(N)nn12
CCCc1nc2c(Cl)cccc2c2nc(N)nn12
Nc1nc2c3ccccc3nc(CCc3cccc(N)c3)n2n1
COc1ccc(Cc2nc3ccccc3c3nc(N)nn23)cc1
COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N
COc1ccc(Cc2nc3ccccc3c3nc(N)nn23)c(OC)c1
COc1ccc(OC)c(Cc2nc3ccccc3c3nc(N)nn23)c1
COc1ccc(Cc2nc3ccccc3c3nc(N)nn23)cc1OC
c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O)N
Nc1nc2c3ccccc3nc(Cc3ccc(O)cc3O)n2n1
[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@H](-[#8])-[#6@@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6]
CO[C@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(O[C@H]7OC(C)(C)[C@@H](OC)[C@H](OC(=O)c8ccc(C)[nH]8)[C@@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C
CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
[H][C@]1(NC(=O)[C@](C)(CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC |r,t:10|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@](C)(CCCC=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@](C)(CCCC=C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
CSCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O |r|
[H][C@]1(NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O)C(N)=O |r|
CC(C)NCCCn1c(nc2c1nc(nc2N)F)Cc3cc4c(cc3I)OCO4
COc1cc(I)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)cc1OC
CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4
COc1cc(Br)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)cc1OC
Nc1nc(F)nc2n(CCCC#C)c(Cc3cc4OCOc4cc3Cl)nc12
Nc1ncnc2n(CCCC#C)c(Sc3cc4OCOc4cc3Br)nc12
CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3Br)OCO4
Nc1ncnc2n(CCCC#C)c(Sc3cc4OCOc4cc3I)nc12
Nc1nc(F)nc2n(CCCC#C)c(Cc3cc4OCOc4cc3I)nc12
Nc1nc(F)nc2n(CCCC#C)c(Cc3cc4OCOc4cc3Br)nc12
COc1cc(Cl)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)cc1OC
Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)cc3Cl)nc12
Cc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(C)c1
COc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(OC)c1
Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)ccc3Cl)nc12
Nc1ncnc2n(CCCC#C)c(Sc3ccccc3Cl)nc12
COc1ccccc1Sc1nc2c(N)ncnc2n1CCCC#C
Nc1ncnc2n(CCCC#C)c(Sc3ccccc3CO)nc12
Nc1ncnc2n(CCCC#C)c(Sc3ccccc3OC(F)(F)F)nc12
COc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)cc1
Cc1ccc(C)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
Nc1ncnc2n(CCCC#C)c(Sc3cc(ccc3Cl)C(F)(F)F)nc12
Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12
Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)cc(Br)c3)nc12
Cc1cc(C)cc(Sc2nc3c(N)ncnc3n2CCCC#C)c1
Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)c(Cl)c3Cl)nc12
Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)c(Cl)cc3Cl)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
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(Sc3cc(Cl)cc(Cl)c3)nc12
CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)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
CCc1cc(C(=O)Cn2cnc3ccccc23)c(O)cc1O
Cc1cc(nc(N)n1)C#Cc1ccccc1\C=N\N1CCOC1=O
O=C1OCCC1=CNc1ccccc1 |w:6.7|
COc1cc(cc(OC)c1OC)C(=O)n1ncc2cc(N)ccc12
O=C(N[C@@H]1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1)c1ccnc2[nH]ccc12 |r|
c1ccc2c(c1)C3=C(CCCN3C2=O)c4[nH]c5cnccc5n4
O=C1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1
NC(=O)CCC(=O)NC1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1
O=C(NC1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1)c1ccncc1
O=C(NC1c2ccccc2-c2c1cccc2-c1nc2ccccc2[nH]1)c1cccc2ncccc12
Nc1cc(ccn1)C(=O)NC1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1
Cc1onc(c1-c1ccccc1)-c1ccc(O)cc1O
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|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)C(C)C |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)NC1=O)C(C)C |r|
CCNC(=O)c1noc(c1NC(=O)c1ccc(Br)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc(OC)c(OC)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1cc(OC)c(OC)c(OC)c1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1sccc1C)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1NC(C)=O)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)C(C)(C)C)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)C=C)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)C12CC3CC(CC(C3)C1)C2)-c1cc(Cl)c(O)cc1O |TLB:16:17:15.14.20:21,THB:16:15:17.22.18:21,18:17:14:20.19.21,18:19:16.17.22:14|
COc1ccc(cc1)C(=O)Nc1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)NCC(F)(F)F
COc1ccc(cc1)C(=O)Nc1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)N1CC(F)(F)C1
CCNC(=O)c1noc(c1NC(=O)CCN1CCOCC1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1NC(C)=O)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)C(C)(C)C)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)C1CCCCC1)-c1cc(C(C)C)c(O)cc1O
CCCCC[C@H]1CC[C@@H](CC1)C(=O)Nc1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC |r,wU:5.4,wD:8.11,(7.63,-13.39,;8.43,-12.08,;7.7,-10.72,;8.5,-9.41,;10.04,-9.45,;10.78,-10.8,;12.32,-10.84,;13.05,-12.19,;12.25,-13.5,;10.71,-13.48,;9.97,-12.12,;12.99,-14.85,;12.19,-16.17,;14.53,-14.88,;15.47,-16.1,;17,-16.06,;17.52,-17.51,;16.3,-18.45,;15.03,-17.57,;13.7,-18.35,;12.36,-17.58,;11.03,-18.36,;9.7,-17.59,;9.7,-16.05,;8.37,-18.36,;11.03,-19.9,;9.7,-20.67,;12.37,-20.67,;13.7,-19.9,;15.04,-20.67,;17.88,-14.79,;17.21,-13.4,;19.42,-14.8,;20.18,-16.13,;21.72,-16.14,)|
CCNC(=O)c1noc(c1NC(=O)C1CCC(CC1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O |(37.98,-16.22,;36.44,-16.22,;35.68,-14.88,;34.14,-14.88,;33.47,-13.49,;33.27,-16.15,;33.78,-17.6,;32.56,-18.54,;31.29,-17.66,;31.73,-16.19,;30.79,-14.97,;29.25,-14.94,;28.45,-16.25,;28.51,-13.59,;29.31,-12.27,;28.57,-10.93,;27.03,-10.88,;26.23,-12.2,;26.97,-13.56,;26.3,-9.53,;27.1,-8.22,;24.76,-9.49,;25.52,-8.19,;29.96,-18.43,;28.63,-17.67,;27.3,-18.44,;25.96,-17.67,;25.96,-16.13,;24.63,-18.44,;27.3,-19.99,;25.96,-20.75,;28.63,-20.76,;29.97,-19.98,;31.3,-20.75,)|
CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@@H](CC1)OC)-c1cc(C(C)C)c(O)cc1O |r,wD:13.13,16.20,(4.96,-31.55,;3.42,-31.55,;2.65,-30.21,;1.11,-30.21,;.45,-28.82,;.24,-31.48,;.76,-32.93,;-.46,-33.87,;-1.73,-32.99,;-1.3,-31.52,;-2.23,-30.3,;-3.77,-30.27,;-4.57,-31.58,;-4.51,-28.92,;-6.06,-28.89,;-6.79,-27.53,;-5.99,-26.21,;-4.45,-26.26,;-3.72,-27.6,;-6.73,-24.86,;-5.92,-23.55,;-3.06,-33.76,;-4.4,-33,;-5.73,-33.77,;-7.06,-33,;-7.06,-31.46,;-8.39,-33.77,;-5.73,-35.32,;-7.06,-36.08,;-4.39,-36.09,;-3.06,-35.31,;-1.72,-36.08,)|
CCNC(=O)c1noc(c1NC(=O)C1CCC(CC1)C(C)(C)C)-c1cc(C(C)C)c(O)cc1O |(22.08,-31.83,;20.54,-31.83,;19.77,-30.49,;18.23,-30.49,;17.57,-29.1,;17.36,-31.76,;17.88,-33.21,;16.66,-34.15,;15.39,-33.27,;15.82,-31.8,;14.88,-30.58,;13.35,-30.55,;12.55,-31.86,;12.6,-29.2,;13.4,-27.88,;12.67,-26.54,;11.13,-26.49,;10.32,-27.81,;11.06,-29.17,;10.39,-25.14,;11.2,-23.83,;8.85,-25.1,;9.61,-23.8,;14.06,-34.04,;12.72,-33.28,;11.39,-34.05,;10.06,-33.28,;10.06,-31.74,;8.72,-34.05,;11.39,-35.6,;10.06,-36.36,;12.72,-36.37,;14.06,-35.59,;15.4,-36.36,)|
CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](N)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:16.17,wD:13.13,(40.21,-31.37,;38.67,-31.36,;37.9,-30.02,;36.36,-30.02,;35.7,-28.63,;35.49,-31.29,;36.01,-32.74,;34.79,-33.68,;33.52,-32.8,;33.95,-31.33,;33.01,-30.11,;31.48,-30.08,;30.68,-31.4,;30.73,-28.73,;31.53,-27.42,;30.8,-26.07,;29.26,-26.03,;28.52,-24.67,;28.45,-27.34,;29.19,-28.7,;32.19,-33.58,;30.85,-32.81,;29.52,-33.58,;28.19,-32.81,;28.19,-31.27,;26.85,-33.59,;29.52,-35.13,;28.19,-35.9,;30.85,-35.9,;32.19,-35.13,;33.53,-35.9,)|
CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](CN)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:16.17,wD:13.13,(5.35,-45.31,;3.81,-45.3,;3.04,-43.96,;1.5,-43.96,;.84,-42.57,;.63,-45.23,;1.15,-46.68,;-.07,-47.62,;-1.34,-46.74,;-.91,-45.27,;-1.85,-44.05,;-3.38,-44.02,;-4.18,-45.33,;-4.13,-42.67,;-3.33,-41.35,;-4.06,-40.01,;-5.6,-39.97,;-6.34,-38.61,;-7.88,-38.57,;-6.41,-41.28,;-5.67,-42.64,;-2.67,-47.52,;-4.01,-46.75,;-5.34,-47.52,;-6.67,-46.75,;-6.67,-45.21,;-8.01,-47.52,;-5.34,-49.07,;-6.67,-49.84,;-4.01,-49.84,;-2.67,-49.07,;-1.33,-49.83,)|
CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,wD:16.17,(26.07,-47.21,;24.53,-47.2,;23.76,-45.87,;22.22,-45.86,;21.56,-44.47,;21.35,-47.13,;21.87,-48.58,;20.65,-49.52,;19.38,-48.65,;19.81,-47.18,;18.87,-45.96,;17.34,-45.92,;16.54,-47.24,;16.59,-44.57,;15.05,-44.55,;14.31,-43.19,;15.12,-41.87,;14.38,-40.52,;12.84,-40.48,;12.03,-41.79,;13.52,-42.19,;12.43,-43.27,;10.5,-41.75,;9.77,-40.4,;8.23,-40.36,;7.42,-41.67,;5.88,-41.63,;8.17,-43.03,;9.7,-43.06,;16.66,-41.91,;17.39,-43.26,;18.05,-49.42,;16.71,-48.66,;15.38,-49.43,;14.05,-48.66,;14.05,-47.12,;12.71,-49.43,;15.38,-50.97,;14.05,-51.74,;16.71,-51.74,;18.05,-50.97,;19.39,-51.74,)|
CCNC(=O)c1noc(c1NC(=O)C1CCN(C)CC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](CNC)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,wD:16.17,(7.43,-35.36,;5.89,-35.35,;5.13,-34.01,;3.59,-34.01,;2.92,-32.62,;2.72,-35.28,;3.23,-36.73,;2.01,-37.67,;.74,-36.79,;1.18,-35.32,;.24,-34.1,;-1.3,-34.07,;-2.1,-35.39,;-2.04,-32.72,;-3.58,-32.69,;-4.32,-31.33,;-3.52,-30.02,;-4.25,-28.66,;-5.79,-28.63,;-6.53,-27.27,;-1.98,-30.06,;-1.24,-31.41,;-.59,-37.57,;-1.92,-36.8,;-3.25,-37.57,;-4.59,-36.8,;-4.59,-35.26,;-5.92,-37.58,;-3.26,-39.12,;-4.59,-39.89,;-1.92,-39.89,;-.58,-39.12,;.75,-39.89,)|
CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@@H](C1)C(O)=O)-c1cc(C(C)C)c(O)cc1O |r|
CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@H](CO)C1)-c1cc(C(C)C)c(O)cc1O |r|
CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@H](CO)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,16.17,(19.44,-14.36,;17.9,-14.35,;17.14,-13.01,;15.6,-13.01,;14.93,-11.62,;14.73,-14.28,;15.24,-15.73,;14.02,-16.67,;12.75,-15.79,;13.19,-14.32,;12.25,-13.1,;10.71,-13.07,;9.91,-14.39,;9.97,-11.72,;10.76,-10.41,;10.03,-9.06,;8.49,-9.02,;7.75,-7.66,;6.22,-7.63,;7.69,-10.33,;8.42,-11.69,;11.42,-16.57,;10.08,-15.8,;8.76,-16.57,;7.42,-15.8,;7.42,-14.26,;6.09,-16.58,;8.75,-18.12,;7.42,-18.89,;10.09,-18.89,;11.42,-18.12,;12.76,-18.89,)|
CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)C1)-c1cc(C(C)C)c(O)cc1O |r|
CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@@H](CC1)N1CCOCC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,16.20,(44.11,-32.81,;42.57,-32.8,;41.81,-31.46,;40.27,-31.46,;39.6,-30.07,;39.4,-32.73,;39.91,-34.18,;38.69,-35.12,;37.42,-34.24,;37.86,-32.77,;36.92,-31.55,;35.38,-31.52,;34.58,-32.83,;34.64,-30.17,;35.44,-28.86,;34.71,-27.51,;33.17,-27.47,;32.37,-28.79,;33.1,-30.14,;32.44,-26.12,;33.25,-24.81,;32.52,-23.46,;30.98,-23.41,;30.17,-24.73,;30.9,-26.09,;36.09,-35.02,;34.75,-34.25,;33.43,-35.02,;32.09,-34.25,;32.09,-32.71,;30.76,-35.02,;33.42,-36.57,;32.09,-37.34,;34.76,-37.34,;36.1,-36.57,;37.43,-37.33,)|
CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,16.17,(7.11,-47.58,;5.57,-47.58,;4.81,-46.24,;3.27,-46.24,;2.6,-44.85,;2.4,-47.51,;2.91,-48.96,;1.69,-49.9,;.42,-49.02,;.86,-47.55,;-.08,-46.33,;-1.62,-46.3,;-2.42,-47.61,;-2.36,-44.95,;-1.56,-43.64,;-2.29,-42.29,;-3.83,-42.25,;-4.57,-40.9,;-6.11,-40.86,;-6.84,-39.51,;-8.37,-39.47,;-9.19,-40.78,;-8.45,-42.13,;-6.91,-42.18,;-4.63,-43.57,;-3.9,-44.92,;-.91,-49.79,;-2.24,-49.03,;-3.57,-49.8,;-4.91,-49.03,;-4.91,-47.49,;-6.24,-49.8,;-3.57,-51.35,;-4.91,-52.11,;-2.24,-52.12,;-.9,-51.34,;.43,-52.11,)|
CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](CN2CCOCC2)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,wD:16.17,(25.27,-47.09,;23.73,-47.08,;22.96,-45.74,;21.42,-45.74,;20.76,-44.35,;20.55,-47.01,;21.07,-48.46,;19.85,-49.4,;18.57,-48.52,;19.01,-47.05,;18.07,-45.83,;16.53,-45.8,;15.74,-47.11,;15.79,-44.45,;14.26,-44.42,;13.52,-43.07,;14.32,-41.75,;13.59,-40.4,;12.05,-40.36,;11.31,-39.01,;9.78,-38.97,;8.97,-40.28,;9.7,-41.64,;11.25,-41.68,;15.86,-41.79,;16.6,-43.14,;17.24,-49.3,;15.91,-48.53,;14.58,-49.3,;13.25,-48.53,;13.25,-46.99,;11.91,-49.3,;14.58,-50.85,;13.24,-51.62,;15.91,-51.62,;17.25,-50.85,;18.59,-51.61,)|
CCNC(=O)c1noc(c1NC(=O)CCN1CCOCC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)CCN1CCN(C)CC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc(OC)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc(OC)c(F)c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N(C)C)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N1CCN(C)CC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N1CCNCC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)-n1cccc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N1CCCC1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1cc(on1)C(=O)Nc1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC
CCNC(=O)c1noc(c1NC(=O)c1cc(CC)on1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1cc(on1)C(C)=O)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1sccc1C)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc(Br)o1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1cc(on1)-c1ccccc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1sc(nc1C)-c1ccncc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1nc(C)c(s1)-c1ccc(F)cc1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1sc(C)nc1C)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1cccc2cccnc12)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1oc2ccccc2c1C)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1oc2ccc(OC)cc2c1C)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1cc2ccccc2n1C)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc2cc[nH]c2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc2ccn(C)c2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc2ccsc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1ccc2ncoc2c1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)c1cc(CN2CCOCC2)on1)-c1cc(C(C)C)c(O)cc1O
CCNC(=O)c1noc(c1NCc1sccc1C)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1NCc1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1NC1CCCCC1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1NC1CCN(C)CC1)-c1cc(Cl)c(O)cc1O
CCNC(=O)c1noc(c1NC(=O)C1CC(O)C1)-c1cc(C(C)C)c(O)cc1O |(4.32,.4,;2.78,.4,;2.02,1.74,;.48,1.75,;-.19,3.13,;-.39,.47,;.12,-.98,;-1.1,-1.92,;-2.37,-1.04,;-1.93,.43,;-2.87,1.65,;-4.41,1.69,;-5.21,.37,;-5.15,3.04,;-4.72,4.52,;-6.2,4.95,;-6.94,6.3,;-6.63,3.47,;-3.7,-1.81,;-5.04,-1.05,;-6.36,-1.82,;-7.7,-1.05,;-7.7,.49,;-9.03,-1.82,;-6.37,-3.36,;-7.7,-4.13,;-5.03,-4.14,;-3.7,-3.36,;-2.36,-4.13,)|
CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
CCc1cc(-c2n[nH]c(C(O)=O)c2-c2ccc3OCOc3c2)c(O)cc1O
CCc1cc(-c2n[nH]cc2-c2c[nH]cn2)c(O)cc1O
COc1ccc(cc1)N1C(O)c2ccccc2N=C1\C=C\c1cccc(OC)c1O |c:19|
Oc1cc(O)c(cc1Cl)-c1noc2ccc(NCCN3CCOCC3)cc12
C[C@H]1C[C@H]2O[C@@H]2CCC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:9.10|
Cc1nc(cs1)-c1c(noc1C(F)(F)F)-c1ccc(O)cc1O
CO[C@H]1CC\C=C\C(=O)Nc2cc(O)cc(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:27,t:5|
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|
C[C@@H]1C\C=C\CCC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:8.8,t:3|
C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1
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]1OC(O)=NN)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,36.37,42.43,t:28|
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]1OC)cc(O)c2OC |r,w:17.16,14.14,6.6,t:28|
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|
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]1OC)c2O |r,w:20.19,17.17,6.6,t:31|
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]1OC)cc(O)c2N=CC=C |r,w:17.16,14.14,39.40,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=CCF |r,w:17.16,14.14,38.39,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]1OC)cc(O)c2N=CCF |r,w:17.16,14.14,39.40,t:28|
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]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]1OC)cc(O)c2N1CCC1 |r,w:17.16,14.14,6.6,t:28|
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]1OCC=C)cc(O)c2N1CCC1 |r,w:6.6,17.16,14.14,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]1OC)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,39.40,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=CCN1CCC1 |r,w:17.16,14.14,38.39,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]1OC)cc(O)c2N=CCN1CCC1 |r,w:17.16,14.14,39.40,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=CCN1CCCC1 |r,w:17.16,14.14,38.39,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]1OC)cc(O)c2N=CCN1CCCC1 |r,w:17.16,14.14,39.40,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=CCc1cnc[nH]1 |r,w:17.16,14.14,38.39,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]1OC)cc(O)c2N=CCc1cnc[nH]1 |r,w:17.16,14.14,39.40,t:28|
CNCC=Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](OC(=O)CN)[C@H](C[C@H](C)Cc1c2O)OC |r,w:16.15,13.13,4.4,t:27|
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]1OC(=O)CN)cc(O)c2N=CCF |r,w:17.16,14.14,42.43,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]1OC(=O)CN)cc(O)c2N=CC=C |r,w:17.16,14.14,42.43,t:28|
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]1OC(=O)CN)cc(O)c2OC |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(N)=O)\C(C)=C\[C@H](C)[C@H]1OC(=O)CCN)cc(O)c2N=CC=C |r,w:17.16,14.14,43.44,t:28|
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]1OC(=O)CCN)cc(O)c2OC |r,w:17.16,14.14,6.6,t:28|
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]1OC(=O)CCCN)cc(O)c2OC |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(N)=O)\C(C)=C\[C@H](C)[C@H]1N)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,38.39,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]1NCCF)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,41.42,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]1NCC(F)F)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,42.43,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]1NCC(F)(F)F)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,43.44,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]1NCCC(F)(F)F)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,44.45,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]1NCCN(C)C)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,43.44,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)C1=O)cc(O)c2N=CC=C |r,w:17.16,14.14,38.39,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)C1N=O)cc(O)c2N=CC=C |r,w:17.16,14.14,39.40,27.27|
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)C1=O)cc(O)c2N1CCC1 |r,w:17.16,14.14,6.6,t:28|
CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)C(C)CC(C)=C1N=O)cc(O)c2N1CCC1 |r,w:17.16,14.14,30.30,6.6|
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)C1=O)cc(O)c2N=CCF |r,w:17.16,14.14,38.39,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)C1N=O)cc(O)c2N=CCF |r,w:17.16,14.14,39.40,27.27|
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)C1=O)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,38.39,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)C1N=O)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,39.40,27.27|
CO\N=C1/[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)Nc2cc(O)c(N=CCN(C)C)c(C[C@@H](C)C[C@@H]1OC)c2O |r,w:18.18,20.20,30.29,c:6|
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)\C1=N/OCC=C)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,42.43,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)\C1=N/OCc1ccccc1)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,46.48,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)\C1=N/OCCN(C)C)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,44.45,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)\C1=N/OCC(O)=O)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,43.44,t:28|
CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)C(F)(F)F)C(=O)C1
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2cnc(N)nc2c1
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)nc(C)nc2c1
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)nc(N)nc2c1
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc(F)c2c(N)ncnc2c1
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1F
CCCCOc1c(ccc2c(N)ncnc12)-n1cc(C)c2c1CC(C)(C)CC2=O
CCCCNc1c(ccc2c(N)ncnc12)-n1cc(C)c2c1CC(C)(C)CC2=O
CCCCSc1c(ccc2c(N)ncnc12)-n1cc(C)c2c1CC(C)(C)CC2=O
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1SCC=C
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1SCCN
Cc1cc2c(CC(C)(C)CC2=O)n1-c1ccc2c(N)ncnc2c1
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1
Cc1c(C)n(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1
CCc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1
CC1(C)Cc2c(c(nn2-c2ccc3c(N)ncnc3c2)C(F)(F)F)C(=O)C1
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1F
CCSc1cc(cc2nc(N)nc(N)c12)-n1cc(C)c2c1CC(C)(C)CC2=O
COc1cc(cc2ncnc(N)c12)-n1cc(C)c2c1CC(C)(C)CC2=O
CCc1ccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N(C)Cc2ccccc2)cc1
CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CN(Cc1ccccc1Br)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
Nc1nc(Cl)cc(Cc2ccc(Cl)cc2)n1
CCCN(C)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
NC(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
Cc1ccc(cc1)-c1nc(N)nc2ccc(Cl)cc12
Oc1ccc2c(n[nH]c2c1)C(CC1CCCCC1)C#N
Oc1ccc(cc1)-c1n[nH]c2cc(O)ccc12
Oc1ccc2c(n[nH]c2c1)C1CCCC1
CCCCN(C)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
COCCN(C)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CN(Cc1ccccc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CN(C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O)c1ccco1
CN(Cc1ccccc1)C(=O)c1cc2c(CCc3ccccc3)n[nH]c2cc1O
CN(Cc1ccccc1F)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CN(Cc1ccccc1Cl)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CN(Cc1ccccc1Br)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CN(Cc1ccccc1C)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
COc1ccccc1CN(C)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CN(Cc1cccc(Cl)c1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CN(Cc1cccc(Br)c1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CN(Cc1cccc(C)c1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
COc1cccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)c1
CN(Cc1cccc(c1)C(F)(F)F)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CN(Cc1ccc(F)cc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CN(Cc1ccc(cc1)Cl)C(=O)c2cc3c(cc2O)[nH]nc3Cc4ccccc4
CN(Cc1ccc(Br)cc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CN(Cc1ccc(C)cc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O
CCc1ccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)cc1
CCOc1ccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)cc1
COc1cccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)c1OC
COc1cc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)ccc1Cl
COc1cc2[nH]nc(Cc3cccc(C)c3)c2cc1C(=O)N(C)Cc1ccccc1
CN(Cc1ccccc1)C(=O)c1cc2c(Cc3ccccc3Cl)n[nH]c2cc1O
CN(Cc1ccccc1)C(=O)c1cc2c(Cc3ccccc3C)n[nH]c2cc1O
CN(Cc1ccccc1)C(=O)c1cc2c(Cc3cccc(F)c3)n[nH]c2cc1O
CN(Cc1ccccc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O
Cc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)NCc2ccccc2)c1
Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccccc4
CCN(Cc1ccccc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
COc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N(C)Cc2ccccc2)c1
CCc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N(C)Cc2ccccc2)c1
CN(Cc1ccccc1)C(=O)c1cc2c(Cc3ccc(Cl)cc3)n[nH]c2cc1O
CN(Cc1ccccc1)C(=O)c1cc2c(Cc3ccc(C)cc3)n[nH]c2cc1O
CN(Cc1ccccc1Br)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O
CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O
CN(Cc1ccc(F)cc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O
COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(Cl)c4)n[nH]c3cc2O)cc1
COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(Cl)c4)n[nH]c3cc2O)cc1OC
CN(Cc1cccc(NS(C)(=O)=O)c1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O
CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O
CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
CN(Cc1ccc(F)cc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)cc1
CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
COc1cc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)ccc1Cl
COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)cc1OC
CN(Cc1ccc(F)c(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
CN(Cc1cccc(NS(C)(=O)=O)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
CN(Cc1ccc(NS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
COc1cc(Cl)c(cc1O)-c1nc(SCC(=O)NCCF)nc2[nH]cc(C#N)c12
COc1cc(Cl)c(cc1OC)-c1nc(SCC(=O)NCCF)nc2[nH]cc(C#N)c12
CCNC(=O)CSc1nc(-c2cc(OC)c(OC)cc2Cl)c2c(c[nH]c2n1)C#N
COc1cc(Cl)c(cc1O)-c1nc(SCC(=O)NC(C)C)nc2[nH]cc(C#N)c12
COc1cc(Cl)c(cc1OCCN1CCC(F)(F)C1)-c1nc(SC(C)C)nc2[nH]cc(C#N)c12
CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(SCC(=O)NC)nc2[nH]cc(C#N)c12
CCN(CC)CCOc1nc(-c2cc(OC)c(Cl)cc2Cl)c2c(c[nH]c2n1)C#N
CCN(CC)CCSc1nc(-c2cc(OC)c(OC)cc2Cl)c2c(c[nH]c2n1)C#N
COc1cc(Cl)c(cc1OCCN1CCC(F)(F)C1)-c1nc(SC)nc2[nH]cc(C#N)c12
COc1cc(Cl)c(cc1OCCN1CC[C@H](F)C1)-c1nc(SC)nc2[nH]cc(C#N)c12 |r|
CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(SC)nc2[nH]cc(C#N)c12
CSc1nc(-c2cc(OCCN3CCCC3)c(Cl)cc2Cl)c2c(c[nH]c2n1)C#N
CCc1nc(-c2ccc(F)cc2C)c2c(c[nH]c2n1)C#N
CNc1nc(-c2ccc(F)cc2C)c2c(c[nH]c2n1)C#N
COc1nc(-c2ccc(F)cc2C)c2c(c[nH]c2n1)C#N
Cc1ccc(c(C)c1)-c1ncnc2[nH]cc(C#N)c12
CSc1nc(-c2ccc(F)cc2C)c2c(c[nH]c2n1)C(N)=O
CSc1nc(-c2ccc(C)cc2C)c2c(c[nH]c2n1)C1CC1
CSc1nc(-c2ccc(C)cc2C)c2c(c[nH]c2n1)C(F)(F)F
CSc1nc(-c2ccc(C)cc2C)c2c(C)c[nH]c2n1
CSc1nc(-c2ccc(C)cc2C)c2c(Br)c[nH]c2n1
CSc1nc(-c2ccc(C)cc2C)c2c([nH]nc2n1)C#N
CSc1nc(-c2ccc(cc2)C#N)c2c(c[nH]c2n1)C#N
CSc1nc(-c2ccc(F)cc2C)c2c(c[nH]c2n1)C#N
Cc1ccc(c(c1)C)c2c3c(c[nH]c3nc(n2)SC)C#N
CSc1nc(-c2ccc(cc2)C#N)c2cc[nH]c2n1
CSc1nc(-c2ccc(F)cc2C)c2cc[nH]c2n1
CSc1nc(-c2ccc(C)cc2C)c2cc[nH]c2n1
CSc1nc(-c2ccc(cc2)C#N)c2[nH]cnc2n1
CSc1nc(-c2ccc(F)cc2C)c2[nH]cnc2n1
CSc1nc(-c2ccc(Cl)cc2C)c2[nH]cnc2n1
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 |r,w:17.16,14.14,38.39,t:28|
Cc1c(OCCC2CCCCN2)ccc2cc(NC(=O)Nc3ccc(Cl)cc3)c(=O)oc12
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|
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
O=C1N(CCCn2cc(COCc3cn(CCCN4C(=O)c5ccccc5C4=O)nn3)nn2)C(=O)c2ccccc12
O=C(c1ccccc1)c1ccc(Cn2cc(COCc3cn(Cc4ccc(cc4)C(=O)c4ccccc4)nn3)nn2)cc1
C(CCc1cn(Cc2ccc3ccccc3c2)nn1)Cc1cn(Cc2ccc3ccccc3c2)nn1
C(N(Cc1cn(Cc2ccc(cc2)-c2ccccc2)nn1)Cc1cn(Cc2ccc(cc2)-c2ccccc2)nn1)c1cn(Cc2ccc(cc2)-c2ccccc2)nn1
O=C1N(CCCn2cc(CN(Cc3cn(CCCN4C(=O)c5ccccc5C4=O)nn3)Cc3cn(CCCN4C(=O)c5ccccc5C4=O)nn3)nn2)C(=O)c2ccccc12
O=C1c2ccccc2C(=O)c2cc(Cn3cc(CN(Cc4cn(Cc5ccc6C(=O)c7ccccc7C(=O)c6c5)nn4)Cc4cn(Cc5ccc6C(=O)c7ccccc7C(=O)c6c5)nn4)nn3)ccc12
O=C1c2ccccc2C(=O)c2cc(Cn3cc(COCc4cn(Cc5ccc6C(=O)c7ccccc7C(=O)c6c5)nn4)nn3)ccc12
C(CCc1cn(Cc2cccc3ccccc23)nn1)Cc1cn(Cc2cccc3ccccc23)nn1
C(N(Cc1cn(Cc2cccc3ccccc23)nn1)Cc1cn(Cc2cccc3ccccc23)nn1)c1cn(Cc2cccc3ccccc23)nn1
C(N(Cc1cn(Cc2ccc3ccccc3c2)nn1)Cc1cn(Cc2ccc3ccccc3c2)nn1)c1cn(Cc2ccc3ccccc3c2)nn1
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|
C(OCc1cn(Cc2ccc(cc2)-c2ccccc2)nn1)c1cn(Cc2ccc(cc2)-c2ccccc2)nn1
C(OCc1cn(Cc2cccc3ccccc23)nn1)c1cn(Cc2cccc3ccccc23)nn1
O=C(c1ccccc1)c1ccc(Cn2cc(CN(Cc3cn(Cc4ccc(cc4)C(=O)c4ccccc4)nn3)Cc3cn(Cc4ccc(cc4)C(=O)c4ccccc4)nn3)nn2)cc1
COc1nc(nc(OCCOCCOCCOCCO)c1Sc1nc(N)cc(NC(=O)C=C)n1)N1CCN(C)CC1
COc1nc(nc(OC)c1Sc1nccc(NC(=O)C=C)n1)N1CCCC1
CN1CCN(CC1)c1nc(C)c(Sc2nccc(NC(=O)C=C)n2)c(C)n1
COc1nc(nc(OC)c1Sc1nccc(NC(=O)C=C)n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(C)c(Sc2nccc(NC(=O)C(C)=C)n2)c(C)n1
COc1nc(N)nc(OC)c1Sc1nc(N)cc(NC(=O)C=C)n1
CCOc1nc(nc(OCC)c1Sc1nc(N)cc(NC(=O)C=C)n1)N1CCCCC1
CCOc1nc(nc(OCC)c1Sc1nc(N)cc(NC(=O)C=C)n1)N1CCN(C)CC1
COc1nc(nc(OC)c1Sc1nc(N)cc(NC(=O)C=C)n1)N1CCCCC1
COc1nc(nc(OC)c1Sc1nc(N)cc(NC(=O)C=C)n1)N1CCN(C)CC1
COc1nc(nc(OC)c1Sc1nc(N)cc(NC(=O)C=C)n1)N1CCN(CCOCCOCCOCCO)CC1
COc1nc(nc(OC)c1Sc1cccc(NC(=O)C=C)c1)N1CCOCC1
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
CC(C)(C)c1ccccc1N1CCN(CC(O)COCCOc2ccc(Br)c(Cl)c2)CC1
OC(COCCOc1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1N1CCCCC1
COc1ccc(OCCOCC(O)CN2CCN(CC2)c2ccccc2C(C)(C)C)cc1
CC(C)(C)c1ccccc1N1CCN(CC(O)COCCOc2cccc(Cl)c2)CC1
CN(C)c1ccccc1N1CCN(CC(O)COCCOc2ccc(Br)cc2)CC1
CC(C)(C)c1ccccc1N1CCN(CC(O)COCCOc2ccc(Br)cc2)CC1
COc1ccccc1N1CCN(CC(O)COCCOc2ccc(Br)cc2)CC1
CC(C)(C)c1ccccc1N1CCN(CCCOCCOc2ccc(Br)cc2)CC1
COc1ccccc1OCCOCC(O)CN1CCN(CC1)c1ccccc1C(C)(C)C
CC(C)(C)c1ccccc1N1CCN(CC(O)COCCOc2ccc(F)cc2F)CC1
CC(C)(C)c1ccccc1N1CCN(CC(O)COCCOc2cccc(c2)[N+]([O-])=O)CC1
CC(C)(C)c1ccccc1N1CCN(CC(O)COCCOc2ccc(F)cc2)CC1
CCc1ccccc1N1CCN(CC(O)COCCOc2ccc(Br)cc2)CC1
CCCc1ccc(OCCOCC(O)CN2CCN(CC2)c2ccccc2C(C)(C)C)cc1
Cc1ccc(OCCOCC(O)CN2CCN(CC2)c2ccccc2C(C)(C)C)cc1
CC(C)(C)c1ccccc1N1CCN(CC(O)COCCOc2ccccc2Br)CC1
CN(C(=O)C(C)(C)C)c1ccccc1N1CCN(CC(O)COCCOc2ccc(Br)cc2)CC1
Nc1ccccc1N1CCN(CC(O)COCCOc2ccc(Br)cc2)CC1
OC(COCCOc1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1OCc1ccccc1
CC(=O)Nc1ccccc1N1CCN(CC(O)COCCOc2ccc(Br)cc2)CC1
OC(COCCOc1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1N1CCCC1
Cc1ccccc1N1CCN(CC(O)COCCOc2ccc(Br)cc2)CC1
CC(C)(C)c1ccccc1N1CCN(CC(O)COCCOc2ccc(OC(F)(F)F)cc2)CC1
OC(COCCOc1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1C#N
OC(COCCOc1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1O
CS(=O)(=O)Nc1ccccc1N1CCN(CC(O)COCCOc2ccc(Br)cc2)CC1
COC(COCCOc1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1C(C)(C)C
CC(C)(C)c1ccccc1N1CCN(CC(O)COCCOc2ccc(Cl)cc2)CC1
OC(COCCOc1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1[N+]([O-])=O
CCc1ccc(OCCOCC(O)CN2CCN(CC2)c2ccccc2C(C)(C)C)cc1
COc1cccc(OCCOCC(O)CN2CCN(CC2)c2ccccc2C(C)(C)C)c1
CC(C)c1ccccc1N1CCN(CC(O)COCCOc2ccc(Br)cc2)CC1
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2cnoc12
CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O
C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O |r|
NCCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O |r|
NCCCC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O |r|
C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O |r|
NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O |r|
NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O |r|
C[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C
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)-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
CC(C)(C)c1ccc(Cn2cc(nn2)-c2cc(O)c(O)c(O)c2)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)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,)|
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
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
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
O=c1c2ccc(-c3ccoc3)cc2ccn1CCc1ccccc1
CN1CCC(COc2ccc(CN3CCC(O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)CC1
[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
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(CCc3ccccc3)c(O)cc2O)cc1
COc1ccc(-n2cncc2-c2cc(Cc3ccccc3)c(O)cc2O)cc1
COc1ccc(-n2cncc2-c2cc(CC3CC3)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
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2ccoc12
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
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|