10124 SMILES Strings for Adenosine receptor A1

Compound Name
SMILES String
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-c2nccs2)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2nc(C)cc2C)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2cccn2)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nccc2C)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-c2nccs2)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2cccs2)-c2ccccn2)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-n2cccn2)-n2cccn2)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2nccs2)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2cnco2)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2ocnc2C)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2cccn2)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2cccn2)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)CC1
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
CCN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
CN1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
CN(C)C[C@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CN(C)C[C@@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CN(C)CC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
CC(=O)N1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-c1ccc(C)o1
Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCOCC2)nc(n1)-c1ccc(C)o1
COC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCC2)nc(n1)-c1ccc(C)o1
CN(C)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CN(C)[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CC(C)O[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CCN[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CCN[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CCN(CC)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CN(C)C[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CN(C)C[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CN(C)CCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
CN(C)[C@H]1CCN(CCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Clc1cc(n[nH]1)-c1nc2ccccc2[nH]c1=O
c1ccc2[nH]c(nc2c1)-c1cnc2ccccc2n1
CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Cc1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
Cc1nc2c([nH]1)c1nc(C)[nH]c1c1nc(C)[nH]c21
CC1CSc2nc3nn[nH]c3c(=O)n12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCc4cccc(c4)I)Cl)O)O
COc1cc(NC(C)=O)nc(SC)n1
CCC(=O)Nc1cc(OC)nc(SC)n1
CCCOc1cc(NC(C)=O)nc(SC)n1
CCCOc1cc(NC(=O)CC)nc(SC)n1
CCCSc1nc(NC(C)=O)cc(OC)n1
CCCSc1nc(NC(=O)CC)cc(OC)n1
CCCOc1cc(NC(C)=O)nc(SCCC)n1
CCCOc1cc(NC(=O)CC)nc(SCCC)n1
CCCOc1cc(NC(C)=O)nc(SCc2ccccc2)n1
CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1
CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1
CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1
CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1
CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1
CCCSc1nc(NC(C)=O)cc(OCC2CCCCC2)n1
CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
CC(=O)Nc1cc(OCc2ccc(Cl)cc2)nc(SC(C)(C)C)n1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
Nc1cc(ccc1O)C(O)CNCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
Nc1cc(ccc1O)C(O)CNCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCOCCOCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccnc1
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccncc1
COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
COc1cccc(c1F)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(O)c1
COCCOc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
COc1cncc(c1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-n1nc(C)cc1C
CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
COC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
CCOC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(ccn1)N1CCOCC1
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(c1)N1CCOCC1
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccnc(c1)N1CCOCC1
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCOCC1
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(N)n1
CN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCC1
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCCC1
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCOCC1
CN1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
COCCN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
COC1CN(C1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCC(O)CC1
Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl
Cc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
Cc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)c1
COc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccn1
Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1cccnc1
Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccncc1
Cc1cccnc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
COCc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)n1
Cc1cccnc1CNC(=O)c1cc(N)nc(c1)-c1ccco1
Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccco1
Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccn1
Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
Cc1csc(n1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
Nc1nc(cc(n1)-c1ccccc1)C(=O)NCc1ccccn1
Nc1nc(cc(n1)-c1ccccc1F)C(=O)NCc1ccccn1
Nc1nc(cc(n1)-c1cccc(F)c1)C(=O)NCc1ccccn1
Nc1nc(cc(n1)-c1ccccc1Cl)C(=O)NCc1ccccn1
Nc1nc(cc(n1)-c1cccc(Cl)c1)C(=O)NCc1ccccn1
Cc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
Cc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
COc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
COc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
COc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
CCc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
CCOc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
Nc1nc(cc(n1)-c1ccccc1C#N)C(=O)NCc1ccccn1
Nc1nc(cc(n1)-c1cccc(c1)C#N)C(=O)NCc1ccccn1
COc1cc(nc(N)n1)C(=O)NCc1ccccn1
Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1F
Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(F)c1
Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1Cl
Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(Cl)c1
Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1C
Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
Cc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
COc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
COc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
COc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
CCc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
CCOc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1C#N
Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(c1)C#N
COc1cc(nc(N)n1)C(=O)NCc1ncccc1C
Cc1ccc(o1)-c1nc(N)nc(C(=O)NCc2ccccn2)c1C
CCc1c(nc(N)nc1-c1ccc(C)o1)C(=O)NCc1ccccn1
Cc1ccc(o1)-c1nc(N)nc(C(=O)NCc2ncccc2C)c1C
CCc1c(nc(N)nc1-c1ccc(C)o1)C(=O)NCc1ncccc1C
Cc1ccc(o1)-c1cc(ncn1)C(=O)NCc1ccccn1
Cc1ccc(o1)-c1cc(nc(C)n1)C(=O)NCc1ccccn1
CC(C)c1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1
CNc1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1
CN(C)c1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1
Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccc(C)n1
Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1nc(C)ccc1C
Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)cc(C)n1
Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)c(C)n1
Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccn1C
Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc[nH]1
Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)n1C
Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncc[nH]1
CCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
CCCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
CC(C)n1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)on1
Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1csc(C)n1
Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1nccs1
Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 |r|
[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12
NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r|
Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 |r|
Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r|
Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r|
Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N |r|
CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(F)nc12 |r|
Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](Cl)[C@@H](O)[C@H]1O |r|
CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCCC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H](Cl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Cn1c2nc[nH]c2c(=O)n(C)c1=O
OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](O)C1O
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
Cn1cnc2[nH]c(=O)n(C)c(=O)c12
Cn1cnc2c1C(=O)NC(=O)N2C
CC(=O)Oc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Cn1cnc2c1C(=O)N(C(=O)N2C)C
CN1c2c(n(cn2)C[C@@H](CO)O)C(=O)N(C1=O)C
CCCN1c2c([nH]cn2)C(=O)NC1=O
CCN(CC)CCn1cnc2n(C)c(=O)n(C)c(=O)c12
Cn1c2ncn(CCO)c2c(=O)n(C)c1=O
CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C
CC(O)Cn1c(=O)n(C)c2ncn(C)c2c1=O
CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
O=c1[nH]c2nc[nH]c2c(=O)[nH]1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]c(=O)n1ccnc21 |r|
CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
CCn1c(=O)n(C)c2ncn(C)c2c1=O
Cn1c(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc1=O |r|
Cn1c(=O)[nH]c2nc[nH]c2c1=O
CNc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r|
COc1ccc(cc1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r|
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CI)[C@@H](O)[C@H]1O |r|
CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
CC(=O)OCC1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CON(=O)=O)[C@@H](O)[C@H]1O |r|
OC[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(ccc3O)N(=O)=O)ncnc12 |r|
CN1c2c(n(cn2)CCCl)C(=O)N(C1=O)C
Nc1nccc2N(CSc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1N
Cn1c2[nH]cnc2c(=O)n(C)c1=O
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
Cn1c2[nH]c(nc2c(=O)n(C)c1=O)C1CCOC1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(N)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(O)=O
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1
COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccc(cc1)N(=O)=O
CCCc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O
CN(C)CCCNS(=O)(=O)c1ccc(Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
Nc1nccc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
NC(=O)CCOC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
NC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](NC(=O)C2CCCCC2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O |r|
CCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CC(=O)N[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1
CCCCNc1c(cnc2n(CC)ncc12)C(=O)OCC
Nc1nc(NCCO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(NCCCO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
Nc1nc(NC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)CC4c3ccc(Cl)cc3)ncnc12 |r,wU:7.8,5.5,wD:2.1,4.9,(5.66,1.76,;4.18,2.16,;3.15,1.02,;1.61,1.18,;.99,-.23,;2.13,-1.26,;1.97,-2.79,;3.47,-.49,;4.87,-1.12,;-.52,-.55,;-1.14,-1.96,;-2.68,-1.8,;-3,-.29,;-4.33,.48,;-5.66,-.29,;-5.66,-1.83,;-4.33,-2.6,;-4.33,-4.14,;-5.66,-4.91,;-6.1,-3.91,;-5.12,-3.14,;-7,-4.14,;-7,-2.6,;-8.18,-2.14,;-8.18,-.6,;-9.51,.17,;-10.85,-.6,;-12.05,.27,;-10.85,-2.14,;-9.51,-2.91,;-4.33,2.02,;-3,2.79,;-1.66,2.02,;-1.66,.48,)|
CCCCNc1c(C(=O)OCC)c(C)nc2n(CC)ncc12
OC[C@@H]1CC[C@@H](O1)n1cnc2c(NC3CCCCC3)ncnc12 |r|
CN1CCC[C@H]1c1cc(C)no1 |r|
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](O)C1O
CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
CCCCN1CN(CCCC)C2=NCN([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C2C1N |r,t:11|
O=c1n(C2CCCCC2)c2nc[nH]c2c(=O)n1C1CCCCC1
CCCN1CN(CCC)C2=NCN([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C2C1N |r,t:9|
Cn1cnc2c1[nH]c(=O)n(C)c2=O
c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
CCCn1c2nc[nH]c2c(=O)[nH]c1=S
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N
Cn1cnc2c1n(C)c(=O)[nH]c2=O
NCC1OC(C(O)C1O)n1cnc2c(N)ncnc12
CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
Nc1nc2n(cnc2c(=S)[nH]1)C1OC(CO)C(O)C1O
OCC1OC(C(O)C1O)n1cnc2c1nc[nH]c2=S
Cn1cnc2[nH]c(=O)[nH]c(=O)c12
Nc1ncnc2n(C3OC(CO)C(O)C3O)c(Br)nc12
Clc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
CN1CNc2c1[nH]c(=O)[nH]c2=O
Nc1ncnc2n(c[n+]([O-])c12)C1OC(CO)C(O)C1O
Nc1ncnc2n(cnc12)[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
CCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N
c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O
CN(Cc1ccccc1)c1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2C(NCc3ccccc3)N(O)C=Nc12 |r,c:26|
CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12
CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2C(N)N(O)C=Nc12 |c:23|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Nc1ncnc2NCN([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c12 |r|
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
OC1C(O)C(OC1COP([O-])(=O)OP(O)([O-])=O)n1ccc(=O)[nH]c1=O
OC1C(COP(O)(O)=O)OC(C1O)n1cnc2c1[nH]c(=O)[nH]c2=O
Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
C(Oc1cccnc1)[C@@H]1CCN1 |r|
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
CC(C=C[C@@]1(O)C(C)=CC(=O)CC1(C)C)=CC(O)=O |r,w:2.1,15.16,c:7|
Nc1ccc(CCNc2ncnc3n(cnc23)C2OC(CO)C(O)C2O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:21.22|
Nc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I
CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@H](O)C3O)C(=O)NCC)c2n1
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
CCNC(=O)[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
CCNC(=O)[C@@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccco1
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1nccs1
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC1=CCCCC1 |t:27|
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(N)=O
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CCC(O)=O)cc1
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCC#N
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCC(C)O
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)O
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#C[C@H](O)c1ccccc1 |r|
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)(O)c1ccccc1
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCOc1ccccc1
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1
CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCc1ccccc1
CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
CNCCC(Oc1ccccc1C)c1ccccc1
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
CN1C2C(Nc3cccnc23)C(=O)N(C)C1=O
CN1C2C(N(C)C(=O)N(C)C2=O)c2ncccc12
Oc1c(Br)cc2[nH]c3cnccc3c2c1Br
O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[N+]([O-])=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H](COS(=O)(=O)O[Na])O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r|
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COS(=O)(=O)O[Na])n1cnc2c(NC3CCCCC3)nc(Cl)nc12 |r|
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[N+]([O-])=O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3ccccc3)ncnc12 |r|
Cc1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3OCc3ccccc3)ncnc12 |r|
Cc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
Cc1ccccc1CO[C@H]1CCCC1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3cccc(F)c3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3ccc(F)cc3)ncnc12 |r|
CC(C)c1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3cccc(I)c3)ncnc12 |r|
COc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
Cc1cccc(CO[C@H]2CCCC2Nc2nc(Cl)nc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
Cc1ccccc1CO[C@@H]1CCCC1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3cccc(F)c3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3ccc(F)cc3)ncnc12 |r|
CC(C)c1ccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3cccc(I)c3)ncnc12 |r|
COc1cccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
Cc1cccc(C)c1CO[C@@H]1CCCC1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[N+]([O-])=O)[C@@H](O)[C@H]1O |r|
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO[N+]([O-])=O)[C@@H](O)[C@H]1O |r|
O[C@@H]1[C@@H](CS([O-])(=O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
O=C1NC(=O)c2cc(Sc3ccccc3)ccc12
O=C1NC(=O)c2cc(SCc3ccccc3)ccc12
O=C1NC(=O)c2cc(SCCc3ccccc3)ccc12
Fc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
Brc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
COc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
O=C1NC(=O)c2cc(OCc3ccccc3)ccc12
O=C1Nc2ccc(OCc3ccccc3)cc2C1=O
C=CC(=O)Nc1cc2ccccc2oc1=O
Oc1c(NC(=O)C=C)c(=O)oc2ccccc12
O=C(Nc1cc2ccccc2oc1=O)c1ccccc1
Oc1c(NC(=O)c2ccccc2)c(=O)oc2ccccc12
O=C(Nc1cc2ccccc2oc1=O)c1cccnc1
O=C(Nc1cc2ccccc2oc1=O)c1cccs1
O=C(Nc1cc2ccccc2oc1=O)c1ccco1
OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 |r|
OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
CCCOc1cc(N)nc(SCc2ccccc2)n1
CC(C)COc1cc(N)nc(SCc2ccccc2)n1
COC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COC(=O)COc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COC(=O)COc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CN(C)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CCN(CC)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCC2)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCC2)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCCC2)cc1
CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)N2CCOCC2)cc1 |c:3|
CN1CCN(CC1)C(=O)COc1ccc(cc1)C1=NC2C(N1)C(=O)N(C)C(=O)N2C |t:19|
CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)n2ccnc2)cc1 |c:3|
COc1ccc(CCNC(=O)COc2ccc(cc2)C2=NC3C(N2)C(=O)N(C)C(=O)N3C)cc1OC |t:20|
CN(C)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CCN(CC)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCC2)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCCC2)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCCCC2)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCOCC2)c1
CN1CCN(CC1)C(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)n2ccnc2)c1
COc1ccc(CCNC(=O)COc2cccc(c2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC
COc1cc(ccc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CCN(CC)CCNC(=O)COc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1cc(ccc1OCC(=O)N1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1cc(ccc1OCC(=O)N1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1cc(ccc1OCC(=O)N1CCCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1cc(ccc1OCC(=O)N1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1cc(ccc1OCC(=O)N1CCN(C)CC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1cc(ccc1OCC(=O)n1ccnc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1ccc(CCNC(=O)COc2ccc(cc2OC)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC
COc1ccc(cc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CCN(CC)CCNC(=O)COc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1ccc(cc1OCC(=O)N1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1ccc(cc1OCC(=O)N1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1ccc(cc1OCC(=O)N1CCCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1ccc(cc1OCC(=O)N1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1ccc(cc1OCC(=O)N1CCN(C)CC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1ccc(cc1OCC(=O)N1CCN=C1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 |c:16|
COc1ccc(CCNC(=O)COc2cc(ccc2OC)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC
CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
C=Cc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
CCc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
O=C(c1cccs1)c1nc(NCc2cccnc2)nc2cc(NCc3cccnc3)sc12
Cn1c(nc2c(N)nc(CCCCO)nc12)-n1nccn1
CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
CCCC(O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
CCCC(=O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 |r|
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r|
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12 |r|
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12 |r|
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12 |r|
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12 |r|
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:13:14:18.17:20|
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,THB:13:14:18.17:20|
CCNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 |r|
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCCF)nc(Cl)nc12 |r|
CC(C)Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 |r|
CCC(CC)Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 |r|
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12 |r|
CC(Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2)C1CC1 |r|
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3ccccc3F)nc(Cl)nc12 |r|
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3cccc(OCCF)c3)nc(Cl)nc12 |r|
O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3cc(F)ccc3F)nc(Cl)nc12 |r|
OCc1cc(F)c(F)cc1CNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 |r|
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc4OCCOc4c3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OCC(C)(C)O)cc3)c2C#N)ccn1
Nc1nc(SCc2ccnc(c2)C(=O)NC2CC2)c(C#N)c(-c2ccccc2)c1C#N
Nc1nc(SCc2cccc(c2)C(O)=O)c(C#N)c(-c2ccc(F)cc2)c1C#N
OC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1
CNC(=O)c1cc(COc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)ccn1
CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ccnc(c2)C(=O)NC)c1C#N
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(OC)c3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(NC)cc3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3cccc(OCCO)c3)c2C#N)ccn1
CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OCCO)cc3)c2C#N)ccn1
CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1
CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)ccn1
NC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)c1
CS(=O)(=O)Nc1cccc(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)c1
CS(=O)(=O)Nc1cccc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)c1
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3OC)c2C#N)ccn1 |(7.34,-5.39,;7.34,-3.85,;6,-3.08,;6,-1.54,;4.67,-3.85,;3.33,-3.08,;2,-3.85,;.67,-3.08,;-.67,-3.85,;-2,-3.08,;-3.33,-3.85,;-4.67,-3.08,;-6,-3.85,;-4.67,-1.54,;-6,-.77,;-7.34,,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-3.33,3.85,;-3.33,5.39,;-2,6.16,;-2,3.08,;-2,1.54,;-.67,.77,;.67,1.54,;-2,-1.54,;-.67,-.77,;.67,,;2,-5.39,;3.33,-6.16,;4.67,-5.39,)|
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OS(=O)(=O)N(C)C)cc3)c2C#N)ccn1
CCCOc1cccc(c1)-c1c(C#N)c(N)nc(SCc2ccnc(c2)C(=O)NC)c1C#N
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(c3)C(F)(F)F)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3cc(F)cc(F)c3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OCCN)cc3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OCCNC(=O)[C@H](C)N)cc3)c2C#N)ccn1 |r|
CNC(=O)c1cc(ccn1)C(C)Sc1nc(N)c(C#N)c(-c2ccc(OCC(F)(F)F)cc2)c1C#N |w:10.11|
CC(Sc1nc(N)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N)c1cccc(c1)C(N)=O |w:1.0|
CNC(=O)c1cccc(c1)C(C)Sc1nc(N)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N |w:10.11|
NC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1
OCCNC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1
Nc1nc(OCc2ccnc(c2)C(=O)NC2CC2)c(C#N)c(-c2ccccc2)c1C#N
CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccccc3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(N(C)CCO)c(C#N)c(-c3ccccc3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(NCCO)c(C#N)c(-c3ccc(OCCO)nc3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(N3CC[C@@H](O)C3)c(C#N)c(-c3ccc4OCCOc4c3)c2C#N)ccn1 |r|
CNC(=O)c1cc(CSc2nc(NC[C@H](O)CO)c(C#N)c(-c3ccccc3)c2C#N)ccn1 |r|
CNC(=O)c1cc(CSc2nc(NCCO)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1
O=C(NC1CC1)c1cc(CSc2nc(N3CCCC3)c(C#N)c(-c3ccccc3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(NCC(O)C(F)(F)F)c(C#N)c(-c3ccccc3)c2C#N)ccn1
CNC(=O)c1cc(CSc2nc(NCCO)c(C#N)c(-c3ccccn3)c2C#N)ccn1
CNC(=O)c1cc(COc2nc(N3CC(O)C3)c(C#N)c(-c3ccccc3)c2C#N)ccn1
CNC(=O)c1cccc(CSc2nc(N3CC[C@@H](O)C3)c(C#N)c(-c3ccc(OCCO)cc3)c2C#N)c1 |r|
Nc1nc(SCc2cccc(c2)C(=O)NC[C@@H](O)CO)c(C#N)c(-c2ccc(F)cc2)c1C#N |r|
CCNC(=O)c1cccc(CSc2nc(N3CCCC3)c(C#N)c(-c3ccc(OCCO)cc3)c2C#N)c1
NC(=O)c1cccc(CSc2nc(NC[C@@H](O)CO)c(C#N)c(-c3ccccc3)c2C#N)c1 |r|
NCCNC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)c1
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC(C)C)c2n1 |r|
CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Nc1cc(OCc2ccccc2)nc(SCc2ccccc2)n1
c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
Nc1nc(=O)[nH]c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[nH]c(=O)n(C)c(=O)c12 |r|
C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N
Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)c1Cl |r|
c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
Cn1cc2c(n1)nc(NNC(=S)Nc1ccc(c(c1)C([O-])=O)-c1c3ccc(O)cc3oc3cc(=O)ccc13)n1nc(nc21)-c1ccco1 |(-8.77,7.25,;-7.29,7.65,;-6.09,6.68,;-4.8,7.52,;-5.2,9.01,;-6.73,9.09,;-4.11,10.1,;-2.62,9.7,;-1.53,10.79,;-.04,10.8,;1.54,11.35,;1.8,13.1,;2.92,10.3,;4.46,10.3,;5.23,11.63,;6.77,11.63,;7.54,10.3,;6.77,8.97,;5.23,8.97,;7.54,7.63,;6.77,6.3,;8.88,6.86,;9.08,10.3,;9.85,11.63,;9.08,12.97,;9.85,14.3,;11.39,14.3,;12.16,15.63,;12.16,12.97,;11.39,11.63,;12.16,10.3,;11.39,8.97,;12.16,7.63,;11.39,6.3,;12.16,4.96,;9.85,6.3,;9.08,7.63,;9.85,8.97,;-2.22,8.21,;-.85,7.51,;-1.09,5.99,;-2.61,5.75,;-3.31,7.12,;-0,4.9,;-.24,3.38,;1.13,2.68,;2.22,3.77,;1.52,5.14,)|
Nc1nc2cccc(Cl)c2c2nc(nn12)-c1ccco1
Clc1cccc2nc(NC(=O)CCCC#C)n3nc(nc3c12)-c1ccco1
Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCCn3cc(CCCC(=O)Nc4nc5ccc(Cl)cc5c5nc(nn45)-c4ccco4)nn3)c3ccc(=[NH2+])c(c3oc2c1S([O-])(=O)=O)S([O-])(=O)=O |(12.16,7.64,;11.39,6.3,;9.85,6.3,;9.08,4.97,;9.85,3.64,;9.08,2.3,;7.54,2.3,;6.77,3.64,;5.23,3.64,;4.46,2.3,;5.23,.97,;6.77,.97,;7.54,-.36,;6.21,-1.13,;8.88,-1.13,;2.92,2.3,;2.15,.97,;2.15,3.64,;.61,3.64,;-.16,2.3,;.61,.97,;-.16,-.36,;-1.7,-.36,;-2.1,1.12,;-3.58,1.52,;-4.49,.28,;-5.95,.75,;-7.29,-.02,;-8.62,.75,;-9.95,-.02,;-11.29,.75,;-11.29,2.29,;-12.62,-.02,;-12.62,-1.56,;-13.96,-2.33,;-13.96,-3.87,;-15.29,-4.64,;-15.29,-6.18,;-13.96,-6.95,;-13.96,-8.49,;-12.62,-6.18,;-12.62,-4.64,;-11.29,-3.87,;-9.82,-4.34,;-8.92,-3.1,;-9.82,-1.85,;-11.29,-2.33,;-7.38,-3.1,;-6.47,-4.34,;-5.01,-3.87,;-5.01,-2.33,;-6.47,-1.85,;-5.95,2.29,;-4.49,2.77,;9.85,.97,;9.08,-.36,;9.85,-1.7,;11.39,-1.7,;12.16,-3.03,;12.16,-.36,;11.39,.97,;12.16,2.3,;11.39,3.64,;12.16,4.97,;13.7,4.97,;15.04,4.2,;14.47,6.3,;13.7,3.43,;13.7,-.36,;15.04,-1.13,;14.47,.97,;13.7,-1.9,)|
Cn1cc2c(n1)nc(NC(=O)CCCCC#C)n1nc(nc21)-c1ccco1
C1CCC(C1)c1nc2c(Nc3ccccc3)nc3ccccc3c2[nH]1
Cc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1
COc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1Cl
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CC[C@](C)(C#N)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC5(CC4)COCCN5)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCNCC4CC4CC4)nc3-c3cccc(C#N)c3)cc12
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)cc2[nH]ncc12
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)cc2[nH]nnc12
N#Cc1cccc(-c2nc(NC(=O)N3CC4(COC4)C3)sc2-c2ccnc3[nH]ccc23)c1
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)c2cn[nH]c2n1
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC(N5CCNCC5)CC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC5(CC4)CNCCO5)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC5(CNCCO5)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC5(CNCCO5)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC5(CNCCO5)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC5(CNCCO5)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CC[C@H](C(C)(C)O)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC(C)(C#N)CC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CC[C@@H](C(C)(C)O)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CC[C@@](C)(C#N)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCN(C(C)(C)C#N)CC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CC5CN(C)CC54)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CC5(CN(C)C5)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCN(C(C)C#N)CC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC(N(C)C)CC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCOC(C(C)(C)O)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCO[C@@H](C(C)(C)O)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCO[C@@H](C(C)(C)O)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCOC(CN(C)C)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC(OCCN5CCCC5)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC5(CC4)CN(C)CCO5)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CC5CCCN(C)C5C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC(N5CCN(C)CC5)CC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCN(C5CCN(C)CC5)CC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC(N5CCOCC5)CC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCN(CC#N)CC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCN[C@H](C(C)(C)O)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC5(CC4)CNC(=O)C5)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCCNCC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CC5(CCO5)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4C[C@@H]5OCCN(C)[C@@H]5C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCNCC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCN(C)CC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC5(CCC(=O)N5)CC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CC5(C4)CC(C)(O)C5)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC(C)(C#N)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCC5(CC4)CN(C)C(=O)O5)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCN(CCO)CC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CCN(C5COC5)CC4)nc3-c3cccc(C#N)c3)cc12
Cc1ncnc2ccc(-c3sc(NC(=O)N4CC5(COC5)C4)nc3-c3cccc(C#N)c3)cc12
Cc1ncc2cc(-c3sc(NC(=O)N4CC5(COC5)C4)nc3-c3cccc(C#N)c3)ccc2n1
Cc1nc(C)c2cc(-c3sc(NC(=O)N4CC5(COC5)C4)nc3-c3cccc(C#N)c3)ccc2n1
N#Cc1cccc(-c2nc(NC(=O)N3CC4(COC4)C3)sc2-c2ccc3ncncc3c2)c1
Cc5ccnc6ccc(c3sc(NC(=O)N2CC1(COC1)C2)nc3c4cccc(C#N)c4)cc56
COc5ncnc6ccc(c3sc(NC(=O)N2CC1(COC1)C2)nc3c4cccc(C#N)c4)cc56
CCc1ncnc2ccc(-c3sc(NC(=O)N4CC5(COC5)C4)nc3-c3cccc(C#N)c3)cc12
Cc1nc(C)c(-c2sc(NC(=O)N3CCC(C)(C#N)CC3)nc2-c2cccc(C#N)c2)o1
Cc1nc(C)c(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)o1
Cn6cc(c3sc(NC(=O)N2CC1(COC1)C2)nc3c4cccc(C#N)c4)c5cccnc56
N#Cc1cccc(-c2nc(NC(=O)N3CC4(COC4)C3)sc2-c2c[nH]c3ncccc23)c1
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)cn2c(C)cnc12
Cc1cc(-c2sc(NC(=O)N3CCC(C)(C#N)CC3)nc2-c2cccc(C#N)c2)c2[nH]ncc2n1
Cc1ncnc2c(C)cc(-c3sc(NC(=O)N4CC5(COC5)C4)nc3-c3cccc(C#N)c3)cc12
Cn1ccc2c(-c3sc(NC(=O)N4CC5(COC5)C4)nc3-c3cccc(C#N)c3)ccnc21
Cc1cnc2ccc(-c3sc(NC(=O)N4CC5(COC5)C4)nc3-c3cccc(C#N)c3)cn12
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)c2[nH]ncc2n1
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)c2ccn(C)c2n1
Cn1cnc2ccc(-c3sc(NC(=O)N4CC5(COC5)C4)nc3-c3cccc(C#N)c3)cc21
N#Cc1cccc(-c2nc(NC(=O)N3CC4(COC4)C3)sc2-c2ccc3nccn3c2)c1
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)cc2cn[nH]c12
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)cc2cn(C)nc12
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)cn2ccnc12
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)cc2cnn(C)c12
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)cnn1
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)cnc1-n1nccn1
N#Cc1cccc(-c2nc(NC(=O)N3CCOCC3)sc2-c2ccn3nccc3c2)c1
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)c2cc[nH]c2n1
N#Cc1cccc(-c2nc(NC(=O)N3CC4(COC4)C3)sc2-c2ccc3ncoc3c2)c1
O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(F)c3)nccn12
CN1CCN(CC1)Nc1nccn2c(nnc12)[C@@H]1SC[C@@H](O)[C@H]1O
C[C@@H](Nc1nccn2c(nnc12)[C@@H]1SC[C@@H](O)[C@H]1O)c1cccc(Cl)c1
Fc1cnccc1-c1nnc(Nc2cccnc2)nc1-c1cccnc1
Fc1cccc(Nc2nnc(-c3ccncc3F)c(-c3cccnc3)n2)c1
Cc1cc(Nc2nnc(-c3ccncc3F)c(-c3ccccc3F)n2)[nH]n1
Cc1n[nH]c(Nc2nnc(-c3ccncc3F)c(-c3ccccc3F)n2)n1
CNC(=O)Nc1nnc(-c2ccncc2F)c(-c2ccccc2F)n1
CCc1n[nH]c(Nc2nnc(-c3ccncc3F)c(-c3ccccc3F)n2)n1
Fc1cnccc1-c1nnc(Nc2ccc(C(F)(F)F)nc2)nc1-c1ccccc1F
Fc1cnccc1-c1nnc(Nc2nc(C3CC3)n[nH]2)nc1-c1ccccc1F
CC(C)(O)c1ccc(Nc2nnc(-c3ccncc3F)c(-c3ccccc3F)n2)cn1
OCc1ncc(Nc2nnc(-c3ccncc3F)c(-c3ccccc3F)n2)cn1
CCn1c(=O)n(CCOC)c2sc(CN3CCNC3=O)c(C)c2c1=O
CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O
COCCn1c2sc(CN3CCNC3=O)c(C)c2c(=O)n(C(C)C)c1=O
CCn1c(=O)n(CCOC)c2sc(Cn3cc[nH]c3=O)c(C)c2c1=O
CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3nc[nH]c3=O)c(C)c2c1=O
CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3cn[nH]c3=O)c(C)c2c1=O
CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NCc3cccc(Cl)c3)nc(I)nc12 |r|
CCNc1nc(I)nc2n(cnc12)[C@@H]1C2C[C@@]2(C(O)[C@H]1O)C(=O)NC |r|
CCNc1nc(N=[N+]=[N-])nc2n(cnc12)[C@@H]1C2C[C@@]2(C(O)[C@H]1O)C(=O)NC |r|
COC(=O)C1CCN(CC1)c1ccc(cn1)C(=O)Nc1nc(c(s1)C#N)-c1ccccc1
COc1cccc(c1)-c1nc(NC(=O)c2ccc(nc2)N2CCC(CC2)C(O)=O)sc1C#N
COc1ccc(cc1)-c1nc(NC(=O)c2ccc(nc2)N2CCC(CC2)C(O)=O)sc1C#N
OC(=O)C1CCN(CC1)c1ccc(cn1)C(=O)Nc1nc(c(s1)C#N)-c1ccccc1F
OC(=O)C1CCN(CC1)c1ccc(cn1)C(=O)Nc1nc(c(s1)C#N)-c1cccc(F)c1
OC(=O)C1CCN(CC1)c1ccc(cn1)C(=O)Nc1nc(-c2cccs2)c(s1)C#N
COc1ccc2cc(ccc2n1)-c1cc2c(nc1-c1ccccc1)[nH]ccc2=O
O=c1cc[nH]c2nc(-c3ccco3)c(cc12)-c1ccc2ncccc2c1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1
CN(C)c1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3OC(F)F)nc12)-c1ccc(F)cc1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-n1nccn1
Nc1nc(-c2ncco2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3F)nn12
Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3F)nn12
CCn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Nc1cccc(Cc2nc3c(-c4ccc5nccn5c4)c(nc(N)n3n2)-c2ccc(F)cc2)n1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(cc1)C(F)F
CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
COc1ccc(cc1)-c1nc(N)n2nc(Cc3ncccc3F)nc2c1-c1ccc(=O)n(C)c1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(cc1)C(F)(F)F
Cc1c(ccc(=O)n1C)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 |(1.84,.77,;.51,1.54,;-.83,.77,;-2.16,1.54,;-2.16,3.08,;-.83,3.85,;-.83,5.39,;.51,3.08,;1.84,3.85,;-.83,-.77,;-2.16,-1.54,;-2.16,-3.08,;-.83,-3.85,;-.83,-5.39,;.51,-3.08,;1.97,-3.56,;2.88,-2.31,;4.42,-2.31,;5.19,-.98,;4.42,.36,;5.19,1.69,;6.73,1.69,;7.5,.36,;6.73,-.98,;7.5,-2.31,;1.97,-1.06,;.51,-1.54,;-3.49,-.77,;-3.49,.77,;-4.83,1.54,;-6.16,.77,;-7.5,1.54,;-6.16,-.77,;-4.83,-1.54,)|
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1cccc(Cl)c1
COc1cccc(c1)-c1nc(N)n2nc(Cc3ncccc3F)nc2c1-c1ccc(=O)n(C)c1
Nc1nc(-c2ncco2)c(-c2ccnc(OC(F)F)c2)c2nc(Cc3c(F)cccc3F)nn12
Nc1nc(-c2ncco2)c(-c2ccnc(OC(F)F)c2)c2nc(Cc3ncccc3F)nn12
Nc1nc(c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3F)nn12)-n1nccn1
Cc1cc(ccn1)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Cl)c2)c2nc(Cc3ncccc3F)nn12
Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(c2)C(F)(F)F)c2nc(Cc3c(F)cccc3F)nn12
Nc1nc(-c2ccc(F)cc2)c(-c2ccnnc2)c2nc(Cc3c(F)cccc3F)nn12
Cc1cc(ccn1)-c1c(nc(N)n2nc(Cc3cscn3)nc12)-c1ccc(F)cc1
Cc1cc(ccn1)-c1c(nc(N)n2nc(Cc3cccc(Cl)c3)nc12)-c1ccc(F)cc1
Cc1cc(ccn1)-c1c(nc(N)n2nc(Cc3nccs3)nc12)-c1ccc(F)cc1
CC(c1nc2c(-c3ccnc(C)c3)c(nc(N)n2n1)-c1ccc(F)cc1)c1c(F)cccc1F
Cc1cc(c(C)cn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1 |(-3.49,4.62,;-2.16,3.85,;-2.16,2.31,;-.83,1.54,;.51,2.31,;1.84,1.54,;.51,3.85,;-.83,4.62,;-.83,,;-2.16,-.77,;-2.16,-2.31,;-.83,-3.08,;-.83,-4.62,;.51,-2.31,;1.97,-2.79,;2.88,-1.54,;4.42,-1.54,;5.19,-.21,;4.42,1.13,;2.88,1.13,;5.19,2.46,;6.73,2.46,;7.5,1.13,;6.73,-.21,;7.5,-1.54,;1.97,-.29,;.51,-.77,;-3.49,,;-4.83,-.77,;-6.16,,;-6.16,1.54,;-7.5,2.31,;-4.83,2.31,;-3.49,1.54,)|
Cc1cc(cc(C)n1)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Cc1cc(ccn1)-c1c(nc(N)n2nc(Cc3cccc(Cl)n3)nc12)-c1ccc(F)cc1
Cc1nccc(c1C)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1 |(1.84,4.62,;.51,3.85,;-.83,4.62,;-2.16,3.85,;-2.16,2.31,;-.83,1.54,;.51,2.31,;1.84,1.54,;-.83,,;-2.16,-.77,;-2.16,-2.31,;-.83,-3.08,;-.83,-4.62,;.51,-2.31,;1.97,-2.79,;2.88,-1.54,;4.42,-1.54,;5.19,-.21,;4.42,1.13,;2.88,1.13,;5.19,2.46,;6.73,2.46,;7.5,1.13,;6.73,-.21,;7.5,-1.54,;1.97,-.29,;.51,-.77,;-3.49,,;-4.83,-.77,;-6.16,,;-6.16,1.54,;-7.5,2.31,;-4.83,2.31,;-3.49,1.54,)|
CN(C)c1cccc(Cc2nc3c(-c4ccnc(C)c4)c(nc(N)n3n2)-c2ccc(F)cc2)n1
Cc1cc(cc(Cl)n1)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Cc1cc(ccn1)-c1c(nc(N)n2nc(Cc3cccc(n3)C#N)nc12)-c1ccc(F)cc1
Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(c2)C2CCOC2)c2nc(Cc3c(F)cccc3F)nn12
Cc1ccc(cn1)-c1nc(N)n2nc(Cc3c(F)cccc3F)nc2c1-c1ccc(=O)n(C)c1
Cc1cnc(o1)-c1nc(N)n2nc(Cc3c(F)cccc3F)nc2c1-c1ccc(=O)n(C)c1
Cc1coc(n1)-c1nc(N)n2nc(Cc3c(F)cccc3F)nc2c1-c1ccc(=O)n(C)c1
Cn1cc(ccc1=O)-c1c(Cl)nc(N)n2nc(Cc3c(F)cccc3F)nc12
Cc1cc(cn(C)c1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Cn1nc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3cccc(N)n3)nc12)-c1ccc(F)cc1
Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(c2)C2CC2)c2nc(Cc3ncccc3F)nn12
Nc1cc(ccn1)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)c(F)c1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1cccc(F)c1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3nccs3)nc12)-c1ccc(F)cc1
CNc1cc(ccn1)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1nccs1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(Cl)cc1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(cc1)C#N
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3cscn3)nc12)-c1ccc(F)cc1
Cn1cc(cn1)-c1nc(N)n2nc(Cc3ncccc3F)nc2c1-c1ccc(=O)n(C)c1
Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(c2)C2CS(=O)(=O)C2)c2nc(Cc3c(F)cccc3F)nn12
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-n1cccn1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1F
Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(CCO)c2)c2nc(Cc3c(F)cccc3F)nn12
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncc(F)cc3F)nc12)-c1ccc(F)cc1
Cc1nc(Cc2nc3c(-c4ccc5nccn5c4)c(nc(N)n3n2)-c2ccc(F)cc2)cs1
Cn1cnc2ccc(cc12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3OC(F)F)nc12)-c1ncco1
Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3F)nn12
Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3OC(F)F)nn12
Nc1nc(-c2ncco2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3OC(F)F)nn12
Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nc[nH]c3c2)c2nc(Cc3ncccc3F)nn12
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1cc(F)cc(F)c1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccccc1Cl
CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1
CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1
Cc1cc(cc(N)n1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1
Cc1cc(cc(Cl)n1)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1
Cc1cc(cc(n1)C#N)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1
Cc1cc(cc(n1)C1CC1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1
Cc1cc(cc(OC(F)F)n1)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1
Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncsc3c2)c2nc(Cc3ncccc3F)nn12
Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncccc3c2)c2nc(Cc3ncccc3F)nn12
Cn1cnc2ccc(cc12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1
Cn1cnc2ccc(cc12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccccn1
Nc1nc(c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3F)nn12)-n1ccnn1
Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(CCO)c2)c2nc(Cc3ncccc3F)nn12
Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nccnc3c2)c2nc(Cc3ncccc3F)nn12
Cn1ccc2cc(ccc12)-c1nc(N)n2nc(Cc3ncccc3F)nc2c1-c1ccc(=O)n(C)c1
COc1ccccc1-c1nc(N)n2nc(Cc3ncccc3F)nc2c1-c1ccc(=O)n(C)c1
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1
CN(C)c1nc(N)n2nc(Cc3ncccc3F)nc2c1-c1ccc2ncc(C)n2c1
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)N1CCCC1
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)N1CCOCC1
CN1CCC[C@H]1Cc1nc2c(-c3ccc4ncn(C)c4c3)c(nc(N)n2n1)-c1ccc(F)cc1 |r|
CN1CCC[C@@H]1Cc1nc2c(-c3ccc4ncn(C)c4c3)c(nc(N)n2n1)-c1ccc(F)cc1 |r|
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(CC3CCOC3)nc12)-c1ccc(F)cc1
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(C[C@H]3CCOC3)nc12)-c1ccc(F)cc1 |r|
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(C[C@@H]3CCCO3)nc12)-c1ncco1 |r|
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(C[C@H]3CCCO3)nc12)-c1ncco1 |r|
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(C[C@@H]3CCOC3)nc12)-c1ncco1 |r|
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(C[C@H]3CCOC3)nc12)-c1ncco1 |r|
CN1CCN(CC1)c1nc(N)n2nc(Cc3c(F)cccc3F)nc2c1-c1ccc2ncc(C)n2c1
COC1CN(C1)c1nc(N)n2nc(Cc3c(F)cccc3F)nc2c1-c1ccc2ncc(C)n2c1
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)N1CCC2(COC2)C1
C[C@@H]1CN(CCO1)c1nc(N)n2nc(Cc3ncccc3F)nc2c1-c1ccc2ncc(C)n2c1 |r|
C[C@H]1CN(CCO1)c1nc(N)n2nc(Cc3ncccc3F)nc2c1-c1ccc2ncc(C)n2c1 |r|
C[C@H]1COCCN1c1nc(N)n2nc(Cc3ncccc3F)nc2c1-c1ccc2ncc(C)n2c1 |r|
C[C@@H]1COCCN1c1nc(N)n2nc(Cc3ncccc3F)nc2c1-c1ccc2ncc(C)n2c1 |r|
COCCc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-n1ccc(F)n1
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-n1cc(F)cn1
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)N1CC2(COC2)C1
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)N1CCC1
CN(C)CCc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)N1CCOCC1
CN1CCC[C@H]1Cc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1 |r|
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)N1CCCC1
Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)N1CCC1
CN1CCC[C@@H]1Cc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1 |r|
COCCc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ncco1
Cn1cc(ccc1=O)-c1nc(C(=O)NCc2c(F)cccc2F)c(N)nc1-c1ncco1
CN(C)c1cccnc1CNC(=O)c1nc(-c2ccc(=O)n(C)c2)c(nc1N)-c1ncco1
Cn1cc(ccc1=O)-c1nc(C(=O)NCc2ncccc2OC(F)F)c(N)nc1-c1ncco1
Nc1nc(-c2ncco2)c(nc1C(=O)NCc1ncccc1F)-c1ccc2nccn2c1
Nc1nc(-c2ncco2)c(nc1C(=O)NCc1ncccc1F)-c1ccc2[nH]cnc2c1
Nc1cccc(CNC(=O)c2nc(-c3ccc4nccn4c3)c(nc2N)-c2ncco2)n1
Cn1cc(ccc1=O)-c1nc(C(=O)NCc2nc(N)ccc2F)c(N)nc1-c1ncco1
Cn1cnc2ccc(cc12)-c1nc(C(=O)NCc2ncccc2F)c(N)nc1-c1ncco1
COc1ccccc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(nc1N)-c1ccc(C)o1
Cc1cc(cc(C)n1)-c1nc(C(=O)NCc2ccccc2OC(F)(F)F)c(N)nc1-c1ccc(F)cc1
Cn1cc(ccc1=O)-c1nc(CNC(=O)c2c(F)cccc2F)c(N)nc1-c1ccc(F)cc1
Cn1cc(ccc1=O)-c1nc(C(=O)NC(CO)c2c(F)cccc2F)c(N)nc1-c1ncco1
Nc1nc(-c2ncco2)c(nc1C(=O)NCc1ncccc1F)-c1ccc2ncnn2c1
Cc1cnc2ccc(cn12)-c1nc(C(=O)NCc2ncccc2F)c(N)nc1-c1ncco1
Nc1nc(c(nc1C(=O)NCc1ncccc1F)-c1ccc2nccn2c1)-n1nccn1
CNCCOc1cccnc1CNC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(nc1N)-c1ccc(F)cc1
CN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1
Cc1cnc2ccc(cn12)-c1nc(C(=O)NC[C@H]2CCCO2)c(N)nc1-c1ncco1 |r|
Cc1cnc2ccc(cn12)-c1nc(C(=O)NC[C@@H]2CCCO2)c(N)nc1-c1ncco1 |r|
CC(C)NC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1
Cc1cnc2ccc(cn12)-c1nc(C(=O)NCC2CCO2)c(N)nc1-c1ncco1
Cc1cnc2ccc(cn12)-c1nc(C(=O)NC[C@H]2CCOC2)c(N)nc1-c1ncco1 |r|
Cc1cnc2ccc(cn12)-c1nc(C(=O)NC[C@@H]2CCOC2)c(N)nc1-c1ncco1 |r|
CN1CCC[C@@H]1CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ccc(F)cc1 |r|
CN1CCC[C@H]1CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ccc(F)cc1 |r|
COCCNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1
COC[C@H](C)NC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1 |r|
Cc1cnc2ccc(cn12)-c1nc(C(=O)NC2CCC2)c(N)nc1-c1ncco1
Nc1nnc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
Nc1nnc(-c2cccc(c2)C(F)(F)F)c(n1)-c1ccccc1
Nc1nnc(-c2cc(Cl)cc(Cl)c2)c(n1)-c1ccccc1
Nc1nnc(-c2ccc(F)c(Cl)c2)c(n1)-c1ccccc1
Nc1nnc(-c2ccc3cc[nH]c3c2)c(n1)-c1ccccc1
COc1cc(OC)cc(c1)-c1nnc(N)nc1-c1ccccc1
Nc1nnc(-c2ccc3occc3c2)c(n1)-c1ccccc1
Cc1cc(cc(C)c1O)-c1nnc(N)nc1-c1ccccc1
Nc1nnc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1
Nc1nnc(-c2ccnc(Cl)c2)c(n1)-c1ccccc1
Cc1cc(Cl)cc(c1)-c1nnc(N)nc1-c1ccccc1
Cc1cc(cc(Cl)n1)-c1nnc(N)nc1-c1ccccc1
Nc1nnc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1
Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccccc1
Nc1nnc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1
CC1(C)CC(=CC(C)(C)O1)c1nnc(N)nc1-c1ccccc1 |c:4|
Cc1cc(cc(Cl)n1)-c1nnc(N)nc1-c1cccc(F)c1
Cc1cc(cc(Cl)n1)-c1nnc(N)nc1-c1ccc(F)cc1
Nc1nnc(-c2cnn(Cc3ccccc3)c2)c(n1)-c1ccccc1
Cc1cc(cc(C)c1C#N)-c1nnc(N)nc1-c1ccc(OC(F)F)cc1
Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1cc(F)cc(F)c1
Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1cccc(F)c1
Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(Cl)cc1
Nc1nnc(-c2cc(Cl)nc(c2)C(F)(F)F)c(n1)-c1ccc(F)cc1
Cc1cc(cc(n1)C(F)(F)F)-c1nnc(N)nc1-c1ccc(F)cc1
Cc1cc(cc(Cl)n1)-c1nnc(N)nc1-c1ccccc1F
Cc1cc(cc(n1)C(F)F)-c1nnc(N)nc1-c1ccccc1
Nc1nnc(-c2cc(Cl)nc(c2)C(F)F)c(n1)-c1ccccc1
Nc1nnc(-c2cc(Cl)nc(CF)c2)c(n1)-c1ccccc1
Cc1cc(cc(n1)C(F)(F)F)-c1nnc(N)nc1-c1ccccc1F
Nc1nnc(-c2cc(Cl)cc(Cl)c2)c(n1)-c1ccccn1
Cc1cc(cc(n1)C(F)(F)F)-c1nnc(N)nc1-c1ccccc1
CN(C)c1cc(ccn1)-c1nnc(N)nc1-c1ccccc1
Cc1cc(cc(Br)n1)-c1nnc(N)nc1-c1ccccc1
Cc1cc(cc(C)[n+]1[O-])-c1nnc(N)nc1-c1ccccc1
Nc1nnc(-c2cc(Cl)cc(c2)C(F)(F)F)c(n1)-c1ncccn1
CC1CCCN(C1)c1nnc(N)nc1-c1ccccc1
CC1CN(CC(C)O1)c1nnc(N)nc1-c1ccccc1
CC1(C)CCCN(C1)c1nnc(N)nc1-c1ccccc1
Cc1csc(Nc2nnc(N)nc2-c2ccccc2)n1
Nc1nnc(N2CCOC(CO)C2)c(n1)-c1ccccc1
Nc1nnc(Oc2ccccc2)c(n1)-c1ccccc1
Nc1nnc(c(n1)-c1ccccc1)-n1ccc(=O)cc1
Cc1ncccc1Oc1nnc(N)nc1-c1ccccc1
Cn1nc(cc1Oc1nnc(N)nc1-c1ccccc1)C(F)(F)F
Cc1ccc(Sc2nnc(N)nc2-c2ccccc2)cc1
Nc1nnc(-c2cc(Cl)cc(OS(=O)(=O)C(F)(F)F)c2)c(n1)-c1ccccc1
CC(=O)Nc1cc(ccc1O)-c1nnc(N)nc1-c1ccccc1
Cc1cn(cc(C)c1=O)-c1nnc(N)nc1-c1ccccc1
Cc1cc(cc(n1)N1CCC1)-c1nnc(N)nc1-c1ccccc1
Cc1cc(cc(n1)N1CCC1)-c1nnc(N)nc1-c1ccc(F)cc1
C[C@H](Nc1nc(C(=O)N2CCC2)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](F)C2)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CCC(F)(F)C2)c2sccc2n1)c1cccnc1 |r|
COc1ccc(CNC(=O)c2nc(N[C@@H](C)c3ccccn3)nc3ccsc23)cn1 |r|
CO[C@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2cccnc2)nc2ccsc12 |r|
CO[C@@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2cccnc2)nc2ccsc12 |r|
Fc1cncc(CNc2nc(C(=O)N3CCCC3)c3sccc3n2)c1
C[C@H](Nc1nc(C(=O)N2CC[C@H](O)C2)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](O)C2)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC(F)(F)C2)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](C)C2)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)NCc2ccccc2)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](F)C2)c2sccc2n1)c1ccccn1 |r|
C[C@H](NC(=O)c1nc(N[C@@H](C)c2ccccn2)nc2ccsc12)c1ccccn1 |r|
Cc1cncc(CNc2nc(C(=O)N3CCC3)c3sccc3n2)c1
C[C@H](Nc1nc(C(=O)N2CC[C@H](O)C2)c2sccc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](O)C2)c2sccc2n1)c1ccccn1 |r|
F[C@@H]1CCN(C1)C(=O)c1nc(NCc2cncc(F)c2)nc2ccsc12 |r|
Fc1cncc(CNc2nc(C(=O)N3CCC3)c3sccc3n2)c1
O[C@H]1CCN(C1)C(=O)c1nc(NCc2cncc(F)c2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](C)C2)c2sccc2n1)c1cccnc1 |r|
COc1ccc(CNC(=O)c2nc(NCc3cncc(F)c3)nc3ccsc23)cn1
COc1cccc(CNC(=O)c2nc(N[C@@H](C)c3cccnc3)nc3ccsc23)n1 |r|
Fc1cccc(CNc2nc(C(=O)N3CCCC3)c3sccc3n2)c1
C[C@H](Nc1nc(C(=O)N2CC[C@@H](C)C2)c2sccc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](C)C2)c2sccc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)NCc2ccccn2)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CCC2)c2sccc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CC(F)(F)C2)c2sccc2n1)c1ccccn1 |r|
Clc1cncc(CNc2nc(C(=O)N3CCCC3)c3sccc3n2)c1
O=C(N1CCCC1)c1nc(NCc2ccccn2)nc2ccsc12
C[C@H](Nc1nc(C(=O)N2CCC(F)(F)C2)c2sccc2n1)c1ccccn1 |r|
Fc1cncc(CNc2nc(C(=O)N3CC(F)(F)C3)c3sccc3n2)c1
F[C@H]1CCN(C1)C(=O)c1nc(NCc2cncc(F)c2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(O)C2)c2sccc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CCOC2)c2sccc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)NCc2ccc(OCC3CC3)nc2)c2sccc2n1)c1ccccn1 |r|
COC1CN(C1)C(=O)c1nc(N[C@@H](C)c2ccccn2)nc2ccsc12 |r|
OC1CN(C1)C(=O)c1nc(NCc2cncc(F)c2)nc2ccsc12
CCNC(=O)c1nc(N[C@@H](C)c2ccccn2)nc2ccsc12 |r|
COC1CN(C1)C(=O)c1nc(NCc2cncc(F)c2)nc2ccsc12
OCCNC(=O)c1nc(NCc2cncc(F)c2)nc2ccsc12
C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CCC2)c2sccc2n1)c1cccc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](O)C2)c2sccc2n1)c1cccc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](O)C2)c2sccc2n1)c1cccc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cncc(F)c1 |r|
COc1cc(F)cc(CNc2nc(C(=O)N3CC(O)C3)c3sccc3n2)c1
C[C@H](Nc1nc(C(=O)N2CC(O)C2)c2sccc2n1)c1cccnc1 |r|
COC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cccnc2)nc2ccsc12 |r|
O=C(N1CCCC1)c1nc(NCc2cncc(c2)C#N)nc2ccsc12
C[C@H](Nc1nc(C(=O)NC2CCN(C2)C(=O)OC(C)(C)C)c2sccc2n1)c1ccccn1 |r|
COCCNC(=O)c1nc(N[C@@H](C)c2ccccn2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)NCCO)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)NC2CCC2)c2sccc2n1)c1ccccn1 |r|
CNc1cc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)N3CCCC3)c2s1 |r|
CNc1cc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)N3CCC3)c2s1 |r|
C[C@H](Nc1nc(C(=O)NC2C[C@H](O)C2)c2sccc2n1)c1ccccn1 |r,wU:1.0,11.11,(1.85,.23,;1.85,-1.31,;.52,-2.08,;-.82,-1.31,;-.82,.23,;-2.15,1,;-2.15,2.54,;-3.48,3.31,;-.82,3.31,;.72,3.31,;1.81,2.22,;2.9,3.31,;4.44,3.31,;1.81,4.39,;-3.48,.23,;-4.95,.7,;-5.85,-.54,;-4.95,-1.79,;-3.48,-1.31,;-2.15,-2.08,;3.19,-2.08,;3.19,-3.62,;4.52,-4.39,;5.85,-3.62,;5.85,-2.08,;4.52,-1.31,)|
C[C@H](Nc1nc(C(=O)NC2C[C@H](O)C2)c2sccc2n1)c1ccccn1 |r,wU:1.0,wD:11.11,(1.85,.23,;1.85,-1.31,;.52,-2.08,;-.82,-1.31,;-.82,.23,;-2.15,1,;-2.15,2.54,;-3.48,3.31,;-.82,3.31,;.72,3.31,;1.81,4.39,;2.9,3.31,;4.44,3.31,;1.81,2.22,;-3.48,.23,;-4.95,.7,;-5.85,-.54,;-4.95,-1.79,;-3.48,-1.31,;-2.15,-2.08,;3.19,-2.08,;3.19,-3.62,;4.52,-4.39,;5.85,-3.62,;5.85,-2.08,;4.52,-1.31,)|
CNc1cc2nc(NCc3ccccn3)nc(C(=O)N3CCCC3)c2s1
CNc1cc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)N3CC[C@@H](F)C3)c2s1 |r|
C[C@@H](O)CNC(=O)c1nc(N[C@@H](C)c2ccccn2)nc2ccsc12 |r|
C[C@H](O)CNC(=O)c1nc(N[C@@H](C)c2ccccn2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CCC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](O)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](O)C2)c2sccc2n1)c1cncc(F)c1 |r|
CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)c1nc(NCc2cc(F)cc(F)c2)nc2ccsc12 |r|
OCCNC(=O)c1nc(NCc2cc(F)cc(F)c2)nc2ccsc12
CCOc1ccc(CNC(=O)c2nc(N[C@@H](C)c3ccccn3)nc3ccsc23)cn1 |r|
Fc1cncc(CNc2nc(C(=O)NC3CCC3)c3sccc3n2)c1
CNc1cc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)N3CCC(O)C3)c2s1 |r|
CNc1cc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)N3CCC3)c2s1 |r|
CNc1cc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)N3CC[C@@H](F)C3)c2s1 |r|
CNc1cc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)N3CC[C@@H](O)C3)c2s1 |r|
Fc1cc(F)cc(CNc2nc(C(=O)NC3CCC3)c3sccc3n2)c1
C[C@H](Nc1nc(C(=O)NC2CCCC2)c2sccc2n1)c1ccccn1 |r|
O[C@H]1CC(C1)NC(=O)c1nc(NCc2cncc(F)c2)nc2ccsc12 |r,wU:1.0,(4.44,4.08,;2.9,4.08,;1.81,2.99,;.72,4.08,;1.81,5.16,;-.82,4.08,;-2.15,3.31,;-3.48,4.08,;-2.15,1.77,;-.82,1,;-.82,-.54,;.52,-1.31,;1.85,-.54,;3.19,-1.31,;4.52,-.54,;5.85,-1.31,;5.85,-2.85,;4.52,-3.62,;4.52,-5.16,;3.19,-2.85,;-2.15,-1.31,;-3.48,-.54,;-4.95,-1.02,;-5.85,.23,;-4.95,1.47,;-3.48,1,)|
O[C@H]1CC(C1)NC(=O)c1nc(NCc2cncc(F)c2)nc2ccsc12 |r,wD:1.0,(4.44,4.08,;2.9,4.08,;1.81,5.16,;.72,4.08,;1.81,2.99,;-.82,4.08,;-2.15,3.31,;-3.48,4.08,;-2.15,1.77,;-.82,1,;-.82,-.54,;.52,-1.31,;1.85,-.54,;3.19,-1.31,;4.52,-.54,;5.85,-1.31,;5.85,-2.85,;4.52,-3.62,;4.52,-5.16,;3.19,-2.85,;-2.15,-1.31,;-3.48,-.54,;-4.95,-1.02,;-5.85,.23,;-4.95,1.47,;-3.48,1,)|
COC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12 |r|
CNc1cc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)N3CC[C@H](F)C3)c2s1 |r|
CNc1cc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)N3CC[C@H](O)C3)c2s1 |r|
C[C@H](Nc1nc(C(=O)N2CCC2)c2sc(N)cc2n1)c1ccccn1 |r|
C[C@@H](O)CNC(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12 |r|
C[C@H](O)CNC(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)NC2CC2)c2sccc2n1)c1ccccn1 |r|
CNc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC[C@H](O)C3)c2s1 |r|
C[C@H](Nc1nc(C(=O)N2CC(O)C2)c2sccc2n1)c1cncc(F)c1 |r|
CC(C)NC(=O)c1nc(N[C@@H](C)c2ccccn2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)NC(C)(C)C)c2sccc2n1)c1ccccn1 |r|
CNc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CCCC3)c2s1 |r|
CNc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CCC3)c2s1 |r|
C[C@H](Nc1nc(C(=O)N2CCCC2)c2sc(C)cc2n1)c1cccnc1 |r|
CNc1cc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)N3CC(O)C3)c2s1 |r|
CNc1cc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)NCCO)c2s1 |r|
C[C@H](Nc1nc(C(=O)N2CCCC2)c2sc(N)cc2n1)c1cncc(F)c1 |r|
CNc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC[C@@H](O)C3)c2s1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](F)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCC(F)(F)F)c2sccc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cncc(Cl)c1 |r|
C[C@H](Nc1nc(C(=O)N2CCC2)c2sccc2n1)c1cncc(Cl)c1 |r|
COC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(Cl)c2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](F)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](O)C2)c2sccc2n1)c1cncc(Cl)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](O)C2)c2sccc2n1)c1cncc(Cl)c1 |r|
C[C@H](Nc1nc(C(=O)NCC(C)(C)O)c2sccc2n1)c1cncc(F)c1 |r|
CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)c1nc(NCc2cncc(F)c2)nc2ccsc12 |r|
CNc1cc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)N3CC(O)C3)c2s1 |r|
C[C@H](Nc1nc(C(=O)N2CCC2)c2sc(N)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](O)C2)c2sc(N)cc2n1)c1cncc(F)c1 |r|
CNc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC(C3)OC)c2s1 |r|
C[C@H](Nc1nc(C(=O)N2CCCC2)c2sc(C)cc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](C2)NC(=O)OC(C)(C)C)c2sccc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](O)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](O)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
CO[C@@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12 |r|
CO[C@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12 |r|
CO[C@@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(Cl)c2)nc2ccsc12 |r|
CO[C@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(Cl)c2)nc2ccsc12 |r|
CO[C@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2ccccn2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](CO)C2)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](CO)C2)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)NCC(F)(F)F)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(O)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
COC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)N2CCC[C@@H]2C)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CCC[C@H]2C)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCCO)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CCC2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](O)CNC(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
C[C@@H](O)CNC(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)N2CCCC2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCC(F)(F)F)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](O)C2)c2sc(C)cc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](O)C2)c2sc(C)cc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CCC2)c2sc(C)cc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CCC2)c2sc(C)cc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CC(O)C2)c2sc(C)cc2n1)c1ccccn1 |r|
COC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cccnc2)nc2cc(C)sc12 |r|
C[C@H](O)CNC(=O)c1nc(N[C@@H](C)c2ccccn2)nc2cc(C)sc12 |r|
C[C@@H](O)CNC(=O)c1nc(N[C@@H](C)c2ccccn2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)NCCO)c2sccc2n1)c1cncc(Cl)c1 |r|
C[C@H](O)CNC(=O)c1nc(N[C@@H](C)c2cncc(Cl)c2)nc2ccsc12 |r|
C[C@@H](O)CNC(=O)c1nc(N[C@@H](C)c2cncc(Cl)c2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](CO)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](CO)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](O)C2)c2sc(C)cc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](O)C2)c2sc(C)cc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CC(O)C2)c2sc(C)cc2n1)c1cccnc1 |r|
COC1CN(C1)C(=O)c1nc(N[C@@H](C)c2ccccn2)nc2cc(C)sc12 |r|
CO[C@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
CO[C@@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)NC2C[C@H](O)C2)c2sccc2n1)c1cncc(Cl)c1 |r,wU:1.0,11.11,(1.85,1,;1.85,-.54,;.52,-1.31,;-.82,-.54,;-.82,1,;-2.15,1.77,;-2.15,3.31,;-3.48,4.08,;-.82,4.08,;.72,4.08,;1.81,2.99,;2.9,4.08,;4.44,4.08,;1.81,5.16,;-3.48,1,;-4.95,1.47,;-5.85,.23,;-4.95,-1.02,;-3.48,-.54,;-2.15,-1.31,;3.19,-1.31,;4.52,-.54,;5.85,-1.31,;5.85,-2.85,;4.52,-3.62,;4.52,-5.16,;3.19,-2.85,)|
C[C@H](Nc1nc(C(=O)NCC(C)(C)O)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](CO)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](CO)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
CO[C@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2ccccn2)nc2cc(C)sc12 |r|
CO[C@@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2ccccn2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)N2CCCC2)c2sc(cc2n1)C(F)(F)F)c1cccnc1 |r|
C[C@H](O)CNC(=O)c1nc(N[C@@H](C)c2cccnc2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)NC2CC[C@@H](O)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](C2)NC(C)=O)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NC2CC[C@@H](O)C2)c2sccc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](O)C2)c2sc(cc2n1)C(F)(F)F)c1cccnc1 |r|
C[C@@H](O)CNC(=O)c1nc(N[C@@H](C)c2cccnc2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](CO)C2)c2sc(C)cc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](CO)C2)c2sc(C)cc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](O)C2)c2sc(cc2n1)C(F)(F)F)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)NCC2CCOCC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCCc2ccc(O)cc2)c2sccc2n1)c1cncc(F)c1 |r|
COC[C@@H](Nc1nc(C(=O)N2CCC2)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](O)C2)c2sc(cc2n1)C(F)(F)F)c1cncc(F)c1 |r|
CC(O)CNC(=O)c1nc(N[C@@H](C)c2cccnc2)nc2cc(sc12)C(F)(F)F |r|
C[C@@H](O)CNC(=O)c1nc(N[C@@H](C)c2cccnc2)nc2cc(sc12)C(F)(F)F |r|
C[C@H](Nc1nc(C(=O)NC2CCC2)c2sc(C)cc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)NCCO)c2sc(C)cc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)NCCO)c2sc(C)cc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)NCCc2ccc(O)cc2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
COc1cccc(CNC(=O)c2nc(N[C@@H](C)c3cncc(F)c3)nc3cc(C)sc23)n1 |r|
C[C@H](Nc1nc(C(=O)NCC2CCOCC2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCCc2ccncc2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](C2)NC(C)=O)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCCc2ccc(CO)cc2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCCC2CCNC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCC2CCOC2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](O)C2)c2sc(cc2n1)C(F)(F)F)c1cncc(F)c1 |r|
C[C@H](O)CNC(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(sc12)C(F)(F)F |r|
C[C@@H](O)CNC(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(sc12)C(F)(F)F |r|
C[C@H](Nc1nc(C(=O)N2CC(N)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N[C@@H]2CC[C@H](O)C2)c2sccc2n1)c1cncc(F)c1 |r|
COC[C@@H](Nc1nc(C(=O)NCCc2ccc(O)cc2)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCCc2ccc(O)cc2)c2sccc2n1)c1ccnc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCCc2cccc(O)c2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCCc2ccc(O)cc2)c2sccc2n1)c1ccccn1 |r|
COc1cccc(CCNC(=O)c2nc(N[C@@H](C)c3cncc(F)c3)nc3ccsc23)n1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](N)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](N)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CCCC2)c2scc(C)c2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CCC2)c2scc(C)c2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](O)C2)c2scc(C)c2n1)c1cncc(F)c1 |r|
CNC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(CN)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCCc2ccc(NC(C)=O)cc2)c2sccc2n1)c1cncc(F)c1 |r|
COc1ccc(CCCNC(=O)c2nc(N[C@@H](C)c3cncc(F)c3)nc3ccsc23)cc1 |r|
C[C@H](Nc1nc(C(=O)NCCc2cccc(O)c2)c2sccc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)NCCc2cccc(O)c2)c2sccc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)OC(C)(C)C)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(N)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
COc1ccc(cc1)[C@H](C)Nc1nc(C(=O)NCc2cccnc2)c2sccc2n1 |r|
COc1cccc(CNC(=O)c2nc(N[C@@H](C)c3ccccn3)nc3c(C)csc23)n1 |r|
C[C@H](Nc1nc(C(=O)NCc2ccccn2)c2scc(C)c2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)NC2CCC2)c2scc(C)c2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)NCc2cccnc2)c2scc(C)c2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CCCC2)c2scc(C)c2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)NCc2ccccn2)c2sc(C)cc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)NCc2cccnc2)c2sc(C)cc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)NCC[C@H]2CCNC2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
COc1cccc(CNC(=O)c2nc(N[C@@H](C)c3cccnc3)nc3cc(C)sc23)n1 |r|
COc1ccc(cc1)[C@@H](C)Nc1nc(C(=O)NCc2ccc(OC)nc2)c2sccc2n1 |r|
COC[C@@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2ccccn2)nc2cc(C)sc12 |r|
COC[C@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2ccccn2)nc2cc(C)sc12 |r|
COc1ccc(CNC(=O)c2nc(N[C@@H](C)c3ccccn3)nc3cc(C)sc23)cn1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](C2)NC(=O)OCc2ccccc2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)c2sc(C)cc2n1)c1ccccn1 |r|
COc1ccc(CNC(=O)c2nc(N[C@@H](C)c3ccccn3)nc3cc(C)sc23)cc1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CN)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CN)C2)c2sc(C)cc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(N)=O)c2sc(C)cc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)N(C)C)c2sc(C)cc2n1)c1cncc(F)c1 |r|
COC1(C)CN(C1)C(=O)c1nc(N[C@@H](C)c2ccccn2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)NCCC2CN(C2)C(=O)OC(C)(C)C)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCCc2ccc(NC(C)=O)cc2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCC[C@@H]2CCNC2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CNC(=O)C(C)(C)C)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](C2)NC(=O)OCc2ccccc2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCc2nccs2)c2sc(C)cc2n1)c1ccccn1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CO)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
CCNC(=O)CC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)NCCC2CCNCC2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCCc2ccc(NC(C)=O)cc2)c2sc(C)cc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)C(N)=O)c2sc(C)cc2n1)c1cncc(F)c1 |r|
CCNC(=O)c1ccc(CCNC(=O)c2nc(N[C@@H](C)c3cncc(F)c3)nc3cc(C)sc23)cc1 |r|
CCOC(=O)N(C)C1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)N(C)C(=O)CC(C)(C)C)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)N(C)C(C)=O)c2sc(C)cc2n1)c1cncc(F)c1 |r|
CC(C)OC(=O)NC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12 |r|
CC(C)OC(=O)NC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)CNC(=O)c2ccccc2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C(C)(C)C)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CO)C2)c2sc(C)cc2n1)c1cccnc1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2CC2)c2sccc2n1)c1cncc(F)c1 |r|
COCCC(=O)NC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2CCOC2)c2sccc2n1)c1cncc(F)c1 |r|
CCNC(=O)C1CCN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2CC2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2CCOC2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CCC2C)c2sccc2n1)c1cncc(F)c1 |r|
CC(C)(C)C(=O)N[C@H]1CCN(C1)C(=O)c1nc(NCc2cncc(F)c2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(CNC(C)=O)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CNC(=O)C(C)(C)C)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(C)=O)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CNS(C)(=O)=O)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](C2)NC(C)=O)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)NCCC2CN(C)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)N2CCCC2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2CCCO2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2CCC2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(C)=O)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2ccoc2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CCC(C2)C(=O)NCC(C)(C)C)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CN(C)C(=O)C(C)(C)C)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)C(=O)OC(C)(C)C)c2sc(C)cc2n1)c1ccccn1 |r|
COCC1CN(C1)C(=O)c1nc(N[C@@H](C)c2ccccn2)nc2c(C)csc12 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](CN)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)CC(C)(C)C)c2sccc2n1)c1cncc(F)c1 |r|
CC(C)C(=O)NC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C(C)(C)C)c2sccc2n1)c1ccccn1 |r|
CN[C@@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
CN[C@H]1CCN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)NCCC2CCN(C)CC2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CC(=O)NC(C)(C)C)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)C(=O)OC(C)(C)C)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CS(C)(=O)=O)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
CNC(=O)NCC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(CNC(=O)N(C)C)C2)c2sccc2n1)c1cncc(F)c1 |r|
CC(C)C(=O)NCC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)C(=O)NOC(C)(C)C)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CC(=O)OC(C)(C)C)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(CNC(=O)OCC(C)(C)C)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)OC(C)(C)C)c2sccc2n1)c1cncc(F)c1 |r|
CNC(=O)N1CCN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(CNC(=O)CC(C)(C)C)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
CC(C)C(=O)NC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)OCC(C)(C)C)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)C(=O)NOC(C)(C)C)c2sc(C)cc2n1)c1cncc(F)c1 |r|
CC(C)NC(=O)N1CCN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2cc(C)sc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C(C)(C)C)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H]2C)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H]2C)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@@H](CN)C2)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2ccoc2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2ccccc2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CCN(C2)C(=O)NOC(C)(C)C)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2(C)CC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C23CC(C2)C3)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2CCCC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C(C)(C)C(F)(F)F)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2COC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2(C)CCOC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2(CC2)C(F)(F)F)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2CCCCC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)NC(C)(C)C)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)CCC2CCOCC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2cccc(F)c2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2ccccc2F)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2cccc(Cl)c2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2ccc(F)c(F)c2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2ccc(Cl)cc2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)OC2CCCC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2ccncc2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2cccnc2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C)(C2)NC(=O)C2CC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2CCOCC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)NC2CCC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C(C)(C)C)c2scc(C)c2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2cccc(Cl)c2)c2scc(C)c2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2cccc(C)c2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2(C)CCC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC[C@H](C2)C(=O)NOC2CCCC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2ccc(o2)C(F)(F)F)c2sccc2n1)c1cncc(F)c1 |r|
CCC(CC)NC(=O)NC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)c2sccc2n1)c1cncc(F)c1 |r,TLB:18:19:23:17.22.16,22:17:24:23.21.20,22:21:24:18.17.16,THB:18:17:23:24.19.20|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2ccc(o2)C(F)(F)F)c2sc(C)cc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2cccc(c2)C(F)(F)F)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)Nc2ccccc2)c2sccc2n1)c1cncc(F)c1 |r|
COc1cccc(c1)C(=O)NC1CN(C1)C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2(CC2)C#N)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C23CCC(CC2)CC3)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2CC(C)(C)C2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2CC[C@H](C)CC2)c2sccc2n1)c1cncc(F)c1 |r,wU:1.0,wD:18.19,(.24,-.54,;.24,-2.08,;-1.09,-2.85,;-2.43,-2.08,;-2.43,-.54,;-3.76,.23,;-3.76,1.77,;-5.09,2.54,;-2.43,2.54,;-.94,2.14,;-.54,3.62,;-2.03,4.02,;.79,4.39,;2.13,3.62,;2.13,2.08,;3.46,4.39,;3.46,5.93,;4.8,6.7,;6.13,5.93,;7.46,6.7,;6.13,4.39,;4.8,3.62,;-5.09,-.54,;-6.56,-.07,;-7.46,-1.31,;-6.56,-2.56,;-5.09,-2.08,;-3.76,-2.85,;1.58,-2.85,;2.91,-2.08,;4.24,-2.85,;4.24,-4.39,;2.91,-5.16,;2.91,-6.7,;1.58,-4.39,)|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2CCC(F)(F)CC2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2(C)CC2)c2sccc2n1)c1cncc(Cl)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C(C)(C)C)c2sccc2n1)c1cncc(Cl)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2(CCC2)C(F)(F)F)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)C2(C)CCC2)c2sccc2n1)c1cncc(Cl)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2ccc(cc2)-c2ccccc2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2cc(C)cc(C)c2)c2sccc2n1)c1cncc(F)c1 |r|
C[C@H](Nc1nc(C(=O)N2CC(C2)NC(=O)c2cc(C)oc2C)c2sccc2n1)c1cncc(F)c1 |r|
Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)c2nncn12
Cc1cc(cc(Cl)n1)-c1c(nc(N)n2cnnc12)-c1ccccc1
Cc1cc(cc2cccnc12)-c1c(nc(N)n2cnnc12)-c1ccccc1
Nc1nc(-c2ccccc2)c(-c2cc(F)c3ncccc3c2)c2nncn12
Cc1cc(cc(C)n1)-c1c(nc(N)n2cnnc12)-c1ccccc1
Cc1cc(cc(n1)C(F)(F)F)-c1c(nc(N)n2cnnc12)-c1ccc(F)cc1F
Cc1cc(cc(C)n1)-c1c(nc(N)n2cnnc12)-c1ccccc1F
Cc1cc(cc(n1)C(F)F)-c1c(nc(N)n2cnnc12)-c1ccc(F)cc1F
Cc1cc(cc(Cl)n1)-c1c(nc(N)n2cnnc12)-c1ccccc1F
Cc1cc(cc(C)n1)-c1c(nc(N)n2cnnc12)-c1ccc(F)cc1
Cc1cc(cc(n1)C(F)F)-c1c(nc(N)n2cnnc12)-c1ccc(F)cc1
Cc1cc(cc(n1)C(F)F)-c1c(nc(N)n2cnnc12)-c1ccc(Cl)cc1
Cc1cc(cc(CF)n1)-c1c(nc(N)n2cnnc12)-c1ccc(F)cc1
Cc1cc(cc(n1)C(F)F)-c1c(nc(N)n2cnnc12)-c1ccccc1F
Cc1cc(cc(CF)n1)-c1c(nc(N)n2cnnc12)-c1ccccc1F
Cc1cc(cc(n1)C(F)F)-c1c(nc(N)n2cnnc12)-c1ccc(Cl)cc1F
C[C@](C(=O)NCC1(O)COC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |r|
C[C@](C(=O)N[C@@H]1CCC[C@@H]1O)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |r|
Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)[C@H](C(=O)NCC1(O)COC1)c1ccccc1 |r|
C[C@](C(=O)NC1CCC(C)(O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |r,wU:1.20,wD:1.0,(.43,.9,;1.46,-.24,;2.61,.79,;2.29,2.29,;4.07,.31,;5.21,1.34,;6.68,.87,;7.82,1.9,;7.5,3.4,;8.03,4.85,;9,3.78,;6.04,3.88,;4.89,2.85,;2.49,-1.39,;4,-1.07,;5.03,-2.21,;4.55,-3.68,;3.05,-4,;2.02,-2.85,;.32,-1.27,;.48,-2.8,;-.93,-3.43,;-1.96,-2.29,;-3.5,-2.29,;-4.53,-3.43,;-5.94,-2.8,;-5.78,-1.27,;-4.27,-.95,;-3.5,.38,;-4.27,1.71,;-1.96,.38,;-1.19,-.95,;-7.27,-3.57,;-7.43,-5.11,;-8.94,-5.43,;-9.71,-4.09,;-8.68,-2.95,)|
C[C@](C(=O)NC1CCC(O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |r,wU:1.19,wD:1.0,(.13,-.3,;-1.21,-1.07,;-2.47,-1.95,;-2.35,-3.48,;-3.86,-1.29,;-5.35,-1.69,;-6.83,-1.3,;-8.32,-1.69,;-9.09,-.35,;-9.09,1.19,;-7.61,-.74,;-6.12,-.35,;-1.31,.46,;-.03,1.32,;-.13,2.86,;-1.51,3.54,;-2.79,2.68,;-2.69,1.14,;.17,-1.77,;.41,-3.29,;1.93,-3.54,;2.63,-2.16,;4.12,-1.76,;5.41,-2.6,;6.6,-1.63,;6.05,-.2,;4.51,-.28,;3.43,.81,;3.82,2.3,;1.94,.41,;1.54,-1.07,;8.09,-2.03,;8.64,-3.47,;10.18,-3.39,;10.58,-1.9,;9.29,-1.06,)|
COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
CN(C)CCc1c[nH]c2c1c(ccc2)O
COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(CCn1cccn1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(CCc1nccn1C)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(CCc1ncc[nH]1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(CCc1nnn[nH]1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(CCc1nnnn1C)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(CCc1nnn(C)n1)c2=O)-c1ccccc1
CCn1nccc1CCn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
CC(c1cccs1)n1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1ncco1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1cocn1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1nccn1C)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1ccnn1C)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1ccon1)c2=O)-c1ccccc1
Cc1cc(Cn2nc3c(-c4cc(C)nc(C)c4)c(nc(N)n3c2=O)-c2ccccc2)no1
Cc1nc(Cn2nc3c(-c4cc(C)nc(C)c4)c(nc(N)n3c2=O)-c2ccccc2)co1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1ccn(C)n1)c2=O)-c1ccccc1
Cc1nnc(Cn2nc3c(-c4cc(C)nc(C)c4)c(nc(N)n3c2=O)-c2ccccc2)o1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1cncn1C)c2=O)-c1ccccc1
Cc1nonc1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
Cc1nc(Cn2nc3c(-c4cc(C)nc(C)c4)c(nc(N)n3c2=O)-c2ccccc2)no1
Cc1ocnc1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1cnc[nH]1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1ncc[nH]1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1ccn[nH]1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1nn[nH]n1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1nnco1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1nncn1C)c2=O)-c1ccccc1
Cc1[nH]nnc1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1cnn(C)n1)c2=O)-c1ccccc1
Cc1ocnc1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccc(F)cc1
Cc1nc(Cn2nc3c(-c4cc(C)nc(C)c4)c(nc(N)n3c2=O)-c2ccc(F)cc2)c(C)o1
COc1cccc(c1)-c1nn(Cc2ccccc2)cc1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
Cc1ocnc1Cn1nc2c(-c3cc(C)[n+]([O-])c(C)c3)c(nc(N)n2c1=O)-c1ccccc1
Cc1nc(Cn2nc3c(-c4cc(C)[n+]([O-])c(C)c4)c(nc(N)n3c2=O)-c2ccc(F)cc2)c(C)o1
Cc1cc(cc(C)[n+]1[O-])-c1c(nc(N)n2c1nn(Cc1nccn1C)c2=O)-c1ccccc1
Cc1ocnc1Cn1nc2c(-c3cc(C)[n+]([O-])c(C)c3)c(nc(N)n2c1=O)-c1ccc(F)cc1
COc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(Cc1nccn1C)c2=O)-c1ccccc1
Cc1ocnc1Cn1nc2c(-c3cc(C)nc(CO)c3)c(nc(N)n2c1=O)-c1ccccc1
Cc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1ncco1)c2=O)-c1ccccc1
Cc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1nccn1C)c2=O)-c1ccccc1
Cc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1cocn1)c2=O)-c1ccccc1
Cc1cc(Cn2nc3c(-c4cc(C)nc(CO)c4)c(nc(N)n3c2=O)-c2ccccc2)no1
Cc1ncn(C)c1Cn1nc2c(-c3cc(C)nc(CO)c3)c(nc(N)n2c1=O)-c1ccccc1
Cc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1ccn(C)n1)c2=O)-c1ccccc1
Cc1nonc1Cn1nc2c(-c3cc(C)nc(CO)c3)c(nc(N)n2c1=O)-c1ccccc1
Cc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1nccn1C)c2=O)-c1ccc(F)cc1
Cc1ocnc1Cn1nc2c(-c3cc(C)nc(CO)c3)c(nc(N)n2c1=O)-c1ccc(F)cc1
Cc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1ccn(C)n1)c2=O)-c1ccc(F)cc1
Cc1nc(Cn2nc3c(-c4cc(C)nc(CO)c4)c(nc(N)n3c2=O)-c2ccc(F)cc2)c(C)o1
Cc1ocnc1Cn1nc2c(-c3cc(Cl)nc(CO)c3)c(nc(N)n2c1=O)-c1ccccc1
Cn1ccnc1Cn1nc2c(-c3cc(Cl)nc(CO)c3)c(nc(N)n2c1=O)-c1ccccc1
Cn1ccnc1Cn1nc2c(-c3cc(Cl)nc(CO)c3)c(nc(N)n2c1=O)-c1ccc(F)cc1
Cc1ocnc1Cn1nc2c(-c3cc(Cl)nc(CO)c3)c(nc(N)n2c1=O)-c1ccc(F)cc1
COc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1ncoc1C)c2=O)-c1ccccc1
COc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1nccn1C)c2=O)-c1ccccc1
COc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1ncoc1C)c2=O)-c1ccc(F)cc1
COc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1nccn1C)c2=O)-c1ccc(F)cc1
Cc1ocnc1Cn1nc2c(-c3cc(CO)nc(c3)C(F)(F)F)c(nc(N)n2c1=O)-c1ccccc1
Cn1ccnc1Cn1nc2c(-c3cc(CO)nc(c3)C(F)(F)F)c(nc(N)n2c1=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(C1CCN(C1)C(=O)OC(C)(C)C)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(C1CCNC1)c2=O)-c1ccccc1
CN1CCC(C1)n1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(CC1CCCN1C(=O)OC(C)(C)C)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(CC1CCCN1)c2=O)-c1ccccc1
CN1CCCC1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
CN1CCC[C@@H]1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
CN1CCC[C@H]1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
COCCN1CCC[C@H]1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
COCCN1CCC[C@@H]1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(C[C@@H]1CC(F)(F)CN1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(C[C@H]1CC(F)(F)CN1)c2=O)-c1ccccc1
CN1CC(F)(F)C[C@H]1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(C(CN)C1CCOC1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(C[C@H]1CCCO1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(C[C@H]1C[C@H](F)CN1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(C[C@H]1C[C@@H](F)CN1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(C[C@@H]1C[C@H](F)CN1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(C[C@@H]1C[C@@H](F)CN1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(C[C@@H]1C[C@H](O)CN1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(C[C@H]1C[C@@H](O)CN1)c2=O)-c1ccccc1
CN1C[C@H](O)C[C@@H]1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
CN1C[C@@H](O)C[C@H]1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(CCN1CCCC1)c2=O)-c1ccccc1
COc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(C[C@H]1CCCO1)c2=O)-c1ccccc1
Cc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(C[C@@H]1CCCO1)c2=O)-c1ccccc1
Cc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(C[C@H]1CCCO1)c2=O)-c1ccccc1
Cc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(C[C@H]1CCCO1)c2=O)-c1ccc(F)cc1
Nc1nc(-c2ccccc2)c(-c2cc(Cl)nc(CO)c2)c2nn(C[C@H]3CCCO3)c(=O)n12
Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)nc(CO)c2)c2nn(C[C@H]3CCCO3)c(=O)n12
COc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(C[C@H]1CCCO1)c2=O)-c1ccccc1
COc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(C[C@H]1CCCO1)c2=O)-c1ccc(F)cc1
Nc1nc(-c2ccccc2)c(-c2cc(CO)nc(c2)C(F)(F)F)c2nn(C[C@H]3CCCO3)c(=O)n12
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(CCN1CCCC1c1cccs1)c2=O)-c1ccccc1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(CCNC1CCN(C1)C(=O)c1cccnc1)c2=O)-c1ccccc1
CN(CCn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)-c1ccccc1)c1cn[nH]c1
Cc1cc(cc(C)n1)-c1c(nc(N)n2c1nn(CC1CCCN1Cc1ccccc1CN)c2=O)-c1ccccc1
Cc1ocnc1Cn1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1=O)N1CCCCC1
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCOCC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCC(C2)C(C)(C)O)nc1-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCC[C@@H]2C(C)(C)O)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCNCC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCCC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCCC2CC(C)(C)O)nc1-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCN[C@@H](C2)C(O)=O)nc1-c1cccc(c1)C#N |r|
CN1CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(Cl)c1)-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCC(C)(O)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCC(C)(CC2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCN[C@@H](C2)C(C)(C)O)nc1-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCN[C@H](C2)C(C)(C)O)nc1-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCN(CC2)C2COC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCS(=N)(=O)CC2)nc1-c1cccc(c1)C#N
CN1CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCS(=N)(=O)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN(CCO)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN(CC2)C2COC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@H](O)C2)nc1-c1cccc(c1)C#N |r|
COCC1(CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(F)(CC2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@@H](C2)C#N)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(C)(O)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@H](C2)C#N)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN3CCOCC3C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCNC(=O)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCOC(C2)C(N)=O)nc1-c1cccc(c1)C#N
CN1CCN(CC1=O)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCO[C@@H](CO)C2)nc1-c1cccc(c1)C#N |r|
CC(=O)N1CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN(CC2)S(C)(=O)=O)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CC2)NC(=O)NC3=O)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCO[C@H](CO)C2)nc1-c1cccc(c1)C#N |r|
COC1(CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CO)(CC2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCS(=O)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(CO)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(C2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCS(=O)(=O)CC2)nc1-c1cccc(c1)C#N
CN1C(=O)N(C)C2(CCN(CC2)C(=O)Nc2nc(c(s2)-c2cc(C)nc(C)c2)-c2cccc(c2)C#N)C1=O
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)C(N)=O)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(O)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN(CCO)C(=O)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)(C#N)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(C2)C(C)(C)O)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN(CC(C)(C)O)CC2)nc1-c1cccc(c1)C#N
CN1CCC11CCN(C1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN(CC2)C(C)(C)CO)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN3CCC[C@H]3C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCN[C@H](C2)C(O)=O)nc1-c1cccc(c1)C#N |r|
COC(=O)[C@H]1CN(CCN1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(Cl)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCN[C@H](CO)C2)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCN[C@@H](CO)C2)nc1-c1cccc(c1)C#N |r|
C[C@H]1CN(CCN1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
C[C@@H]1CN(CCN1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(Cl)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2C[C@@H]3C[C@H]2CN3)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCN[C@H](C2)C(N)=O)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCN[C@@H](C2)C(N)=O)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCC(C)(N)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(C)(CC2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@@H](C2)S(C)(=O)=O)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(C2)S(N)(=O)=O)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@@H](C2)C(N)=O)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CNC(=O)C3)CC2)nc1-c1cccc(c1)C#N
CN1C[C@@H]2CC[C@H]1CN(C2)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
CN1C(=O)NC2(CCN(CC2)C(=O)Nc2nc(c(s2)-c2cc(C)nc(C)c2)-c2cccc(c2)C#N)C1=O
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(C)(C2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@H](C2)C(N)=O)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@H](C2)S(N)(=O)=O)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(COC3)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CNC(=O)N3)CC2)nc1-c1cccc(c1)C#N
CN1CC2(CCN(CC2)C(=O)Nc2nc(c(s2)-c2cc(C)nc(C)c2)-c2cccc(c2)C#N)OC1=O
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN3C(COC3=O)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN3CCS(=O)(=O)CC3C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3CCCCN3C(=O)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN3CCNC(=O)C3C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN3C(CCOC3=O)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN3C(CCC3=O)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(n1)C(F)F)-c1sc(NC(=O)N2CCS(=O)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CNC3=O)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)n2cccn2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)c2ncon2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN3C(C2)C(=O)NC3=O)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CCNC3=O)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)c2ncc[nH]2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CCNC(=O)C3)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCn3ccnc3C2)nc1-c1cccc(c1)C#N
CNC(=O)C1CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(C2)CCOCC3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)N2CCNC2=O)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)c2ncno2)nc1-c1cccc(c1)C#N
CN=S1(=O)CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)C(=O)NCCO)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(C2)CCOC(=O)N3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN3C(C2)C(=O)NCC3=O)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@H](C2)C(C)(C)O)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN3C(COCC3=O)C2)nc1-c1cccc(c1)C#N
CN1CC2(CC1=O)CCN(CC2)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
CN1CC(=O)N2CCN(CC2C1=O)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CC2)CCC(=O)NC3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)(C#N)C(C)(C)O)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN3C(CCNC3=O)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN3C(CCCC3=O)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(C2)CC(C)(O)C3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CCC(=O)N3)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(C2)CS(=O)(=O)C3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCOC(C2)C(C)(C)C)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@@H](C2)C(C)(C)O)nc1-c1cccc(c1)C#N |r|
[H][C@@]12COC[C@]1([H])CN(C2)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CCOC(=O)N3)CC2)nc1-c1cccc(c1)C#N
CN1C(=O)NCC11CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2C[C@@H]3CNC(=O)[C@@H]3C2)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(C2)CCOC3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(C2)CCOCC3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(C2)CNC(=O)C3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CNC(=O)O3)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(C2)CNC(=O)N3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CCCC(=O)N3)CC2)nc1-c1cccc(c1)C#N |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(C2)CCNC3=O)nc1-c1cccc(c1)C#N
CCN1CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
Cc1cc(cc(n1)C(F)(F)F)-c1sc(NC(=O)N2CCN(CC2)C2COC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)C(O)=O)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@@H](C2)C(O)=O)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(CO)(C2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@H](C2)C(O)=O)nc1-c1cccc(c1)C#N |r|
Cc1cc(-c2sc(NC(=O)N3CCC(C)(CC3)C#N)nc2-c2cccc(c2)C#N)c(F)c(C)n1
Cc1cc(-c2sc(NC(=O)N3CC(C)(O)C3)nc2-c2cccc(c2)C#N)c(F)c(C)n1
Cc1cc(-c2sc(NC(=O)N3CC(C)(C3)C#N)nc2-c2cccc(c2)C#N)c(F)c(C)n1
Cc1cc(-c2sc(NC(=O)N3CCC4(CNC4=O)CC3)nc2-c2cccc(c2)C#N)c(F)c(C)n1
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(C2)C(O)=O)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC[C@H]2CO)nc1-c1cccc(c1)C#N |r|
C[C@H]1CCN1C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@H]2CO)nc1-c1cccc(c1)C#N |r|
C[C@@H]1COCCN1C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN[C@@H](C2)C(C)(C)O)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCOC[C@@H]2CO)nc1-c1cccc(c1)C#N |r|
CN1CCC2(CCN(CC2)C(=O)Nc2nc(c(s2)-c2cc(C)nc(C)c2)-c2cccc(c2)C#N)C1=O
C[C@@H]1CCN1C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(C#N)c1C
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CCOC3)C2)nc1-c1cccc(c1)C#N |$;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;$|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(COC3)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@H]2C(C)(C)O)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@@H]2C(C)(C)O)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(C2)N2CCOCC2)nc1-c1cccc(c1)C#N
C[C@@H]1CN(CC(=O)N1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
C[C@H]1COCCN1C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC22COC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCOC[C@H]2CO)nc1-c1cccc(c1)C#N |r|
CN1CC2(CCN(CC2)C(=O)Nc2nc(c(s2)-c2cc(C)nc(C)c2)-c2cccc(c2)C#N)N(C)C1=O
C[C@H]1CN(CC(=O)N1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@@H]2CO)nc1-c1cccc(c1)C#N |r|
CN1CCC2(CN(C2)C(=O)Nc2nc(c(s2)-c2cc(C)nc(C)c2)-c2cccc(c2)C#N)C1=O
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(CCO3)C2)nc1-c1cccc(c1)C#N
CN1C(=O)CCC11CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)S(C)(=O)=O)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(C)(O)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(n1)C(F)F)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
CN1CCO[C@H]2CN(C[C@@H]12)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(n1)C(F)(F)F)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
CC(=O)N1C[C@H]2C[C@@H]1CN2C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
CN1C[C@@H]2C[C@H]1CN2C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
CN1CC2(CCN(CC2)C(=O)Nc2nc(c(s2)-c2cc(C)nc(C)c2)-c2cccc(c2)C#N)NC1=O
[2H]C([2H])([2H])c1cc(cc(n1)C([2H])([2H])[2H])-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(c2)C#N)c(F)c(C)n1
CN1CCO[C@@H]2CN(C[C@H]12)C(=O)Nc1nc(c(s1)-c1cc(C)nc(c1)C(F)F)-c1cccc(c1)C#N |r|
CN1CCOC2(CCN(C2)C(=O)Nc2nc(c(s2)-c2cc(C)nc(c2)C(F)F)-c2cccc(c2)C#N)C1
Cc1cc(cc(n1)C(F)F)-c1sc(NC(=O)N2CCC3(C2)CNCCO3)nc1-c1cccc(c1)C#N
CN1CCO[C@H]2CN(C[C@H]12)C(=O)Nc1nc(c(s1)-c1cc(C)nc(c1)C(F)F)-c1cccc(c1)C#N |r|
Cc1cc(cc(n1)C1COC1)-c1sc(NC(=O)N2CCC(C)(C2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(n1)C1COC1)-c1sc(NC(=O)N2CCC(C)(CC2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(C2)N2CCOCC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN(CC2)C2CCOCC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(C2)N2CCCC2)nc1-c1cccc(c1)C#N
CN(C)C1CN(C1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CN3CCOCC3)CC2)nc1-c1cccc(c1)C#N
CN1CC2CN(C2C1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN3CCC2C3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCNCC2)nc1-c1cccc(c1)C#N
C[C@@H]1CN(CCN1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(N)(CC2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CC2)CNCCO3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2C3CCC2CNC3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2C3CC2CNC3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2C[C@H]3CC[C@@H]2CN3)nc1-c1cccc(c1)C#N |r|
C[C@H]1CN([C@@H](C)CN1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
C[C@@H]1CNC[C@@H](C)N1C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCNCC2(C)C)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCNCC22CCC2)nc1-c1cccc(c1)C#N
C[C@@H]1CN([C@@H](C)CN1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
CC(=O)N=S1(=O)CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N
Cc1cc(cc(CO)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(CO)n1)-c1sc(NC(=O)N2CCC3(CNC3=O)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(CO)n1)-c1sc(NC(=O)N2CC[C@H](C2)C(C)(C)O)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(CO)n1)-c1sc(NC(=O)N2CCS(=O)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(CO)n1)-c1sc(NC(=O)N2CCN(CC2)C2COC2)nc1-c1cccc(c1)C#N
CN1C(=O)N(C)C2(CCN(CC2)C(=O)Nc2nc(c(s2)-c2cc(C)nc(CO)c2)-c2cccc(c2)C#N)C1=O
Cc1cc(cc(CO)n1)-c1sc(NC(=O)N2CCC(CC2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(CO)n1)-c1sc(NC(=O)N2CCC(CO)(CC2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(CO)n1)-c1sc(NC(=O)N2CCC(CC2)(C#N)C#N)nc1-c1cccc(c1)C#N
COC1(CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(CO)c1)-c1cccc(c1)C#N)C#N
Cc1cc(-c2sc(NC(=O)N3CCS(=O)CC3)nc2-c2cccc(c2)C#N)c(F)c(C)n1
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCS(=O)(CC2)=NC#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(n1)C(C)(C)O)-c1sc(NC(=O)N2CCC(C)(CC2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(n1)C(C)(C)O)-c1sc(NC(=O)N2CC3(C2)CCOC3)nc1-c1cccc(c1)C#N
Cc1cc(cc(n1)C(C)(C)O)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
CC(O)c1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
C[C@@H](O)c1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
C[C@H]1CN(C[C@@H](C)N1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(C2)CNCCO3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCNC3(CC3)C2)nc1-c1cccc(c1)C#N
C[C@H]1CN(C[C@H](C)N1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
C[C@H]1CNCCN1C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCNC[C@@H]2CO)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCNC[C@H]2CO)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3CC(C2)N3)nc1-c1cccc(c1)C#N
C[C@@H]1CNCCN1C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(C2)COCCN3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN[C@@H](C2)C(F)(F)F)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3CCC(C2)N3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(C2)CNCCO3)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN[C@H](C2)C(F)(F)F)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN[C@@H](C2)C#N)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN[C@H](C2)C#N)nc1-c1cccc(c1)C#N |r|
C[C@@H]1CN(CCN1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(c1)C(F)(F)F)-c1cccc(c1)C#N |r|
Cc1cc(cc(n1)C(F)F)-c1sc(NC(=O)N2C[C@@H]3NCCO[C@H]3C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(n1)C(F)F)-c1sc(NC(=O)N2C[C@@H]3NCCO[C@@H]3C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2C[C@@H]3NCCO[C@H]3C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCNCC2C2CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCNCC2CC2CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCNC(C)(C)C2)nc1-c1cccc(c1)C#N
COc1cc(cc(C)n1)-c1sc(NC(=O)N2CCS(=N)(=O)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(n1)C(F)F)-c1sc(NC(=O)N2CCS(=N)(=O)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(n1)C(F)(F)F)-c1sc(NC(=O)N2CCS(=O)CC2)nc1-c1cccc(c1)C#N
COc1cc(cc(C)n1)-c1sc(NC(=O)N2CCS(=O)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(n1)C1COC1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(n1)C#N)-c1sc(NC(=O)N2CCS(=O)CC2)nc1-c1cccc(c1)C#N
Cc1cc(cc(CF)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(n1)C1CC1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
CC(C)c1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
CCc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
Clc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)[n+]1[O-])-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(C)(CC2)C#N)nc1-c1cccc(C#N)c1C
CC(=O)Nc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
CC(=O)NCc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
COCc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
COC(C)c1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
CC(C)(O)c1cc(cc(Cl)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(CO)n1)-c1sc(NC(=O)N2CCC(C)(CC2)C#N)nc1-c1cccc(c1)C#N
OCc1cc(cc(n1)C(F)(F)F)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(C)(C2)C#N)nc1-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@](C)(C2)C#N)nc1-c1cccc(c1)C#N |r|
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@@](C)(C2)C#N)nc1-c1cccc(c1)C#N |r|
[2H]C([2H])([2H])c1cc(cc(n1)C([2H])([2H])[2H])-c1sc(NC(=O)N2CCC(C)(CC2)C#N)nc1-c1cccc(c1)C#N
COc1ccccc1Cn1cc2c(N)nc(nc2n1)-c1ccc(C)o1
Cc1cccc(Cn2cc3c(N)nc(nc3n2)-c2ccsn2)c1
COc1cccc(Cn2cc3c(N)nc(nc3n2)-c2ccsn2)c1
COc1cccc(Cn2cc3c(N)nc(nc3n2)-c2cnco2)c1
Cc1ccc(Cn2cc3c(N)nc(nc3n2)-c2cnccn2)cc1
Cc1ccc(Cn2cc3c(N)nc(nc3n2)-c2ccsn2)cc1F
Cc1ccc(Cn2cc3c(N)nc(nc3n2)-c2ccsn2)cc1C(F)(F)F
Nc1nc(nc2nn(Cc3cccc(Cl)c3)cc12)-c1ccsn1
COc1ccccc1Cn1cc2c(N)nc(nc2n1)-c1ccsn1
COc1ccccc1Cn1cc2c(N)nc(nc2n1)-c1cnco1
Nc1nc(nc2nn(Cc3cccc(CO)c3)cc12)-c1ccsn1
Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cccc(C#N)c2F)c(F)c1
Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cccc(c2)C#N)ccc1N
Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cccc(C#N)c2F)ccc1N
Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(c2)C#N)c(F)c1
Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(C#N)c2F)c(F)c1
Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cccc(c2)C#N)c(F)c1
Nc1nc(-c2cccc(c2)C#N)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1
Nc1nc(-c2cccc(C#N)c2F)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1
Nc1nc(-c2cccc(C#N)c2F)c2cnn(Cc3c(F)cccc3F)c2n1
Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)cc1
Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)cc1
Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cncc(c2)C#N)cc1
Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2ccnc(c2)C#N)cc1
Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)c(F)c1
Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)c(F)c1
Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cncc(c2)C#N)c(F)c1
Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2ccnc(c2)C#N)c(F)c1
Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)c(F)c1
Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)c(F)c1
Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cncc(c2)C#N)c(F)c1
Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2ccnc(c2)C#N)c(F)c1
Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)ccc1N
Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)ccc1N
Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cncc(c2)C#N)ccc1N
Cc1cc(Cn2ncc3c(nc(N)nc23)-c2ccnc(c2)C#N)ccc1N
Nc1nc(-c2cccc(n2)C#N)c2cnn(Cc3c(F)cccc3F)c2n1
Nc1nc(-c2cc(ccn2)C#N)c2cnn(Cc3c(F)cccc3F)c2n1
Nc1nc(-c2cncc(c2)C#N)c2cnn(Cc3c(F)cccc3F)c2n1
Nc1nc(-c2ccnc(c2)C#N)c2cnn(Cc3c(F)cccc3F)c2n1
Nc1nc(-c2cc(ccn2)C#N)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1
CCN1c2c(n(c(n2)/C=C/c3ccc(c(c3)OC)OC)C)C(=O)N(C1=O)CC
CC(C)(O)CNC(=O)c1ccc2nc(c(Br)n2n1)-c1cccc(c1)C#N
CC(=O)c1cc(cc(C)n1)-c1c(nc2ccc(nn12)C(=O)NCC(C)(C)O)-c1cccc(c1)C#N
Cc1cc(cc(C)n1)-c1c(nc2ccc(nn12)C(=O)NCC(C)(C)O)-c1cccc(c1)C#N
Cc1cc(cc(Cl)n1)-c1c(nc2ccc(nn12)C(=O)NCC(C)(C)O)-c1cccc(c1)C#N
Cc1cc(cc(n1)C(F)(F)F)-c1c(nc2ccc(nn12)C(=O)NCC(C)(C)O)-c1cccc(c1)C#N
COc1cc(cc(C)n1)-c1c(nc2ccc(nn12)C(=O)NCC(C)(C)O)-c1cccc(c1)C#N
CC(F)c1cc(cc(C)n1)-c1c(nc2ccc(nn12)C(=O)N[C@@H](C)C(C)(C)O)-c1cccc(c1)C#N |r|
C[C@H](NC(=O)c1ccc2nc(c(-c3cc(C)nc(c3)C(F)(F)F)n2n1)-c1cccc(c1)C#N)C(C)(C)O |r|
C[C@@H](NC(=O)c1ccc2nc(c(-c3cc(C)nc(c3)C(F)(F)F)n2n1)-c1cccc(c1)C#N)C(C)(C)O |r|
COc1cc(cc(C)n1)-c1c(nc2ccc(nn12)C(=O)N[C@@H](C)C(C)(C)O)-c1cccc(c1)C#N |r|
C[C@H](NC(=O)c1ccc2nc(c(-c3cc(C)nc(Cl)c3)n2n1)-c1cccc(c1)C#N)C(C)(C)O |r|
C[C@H](NC(=O)c1ccc2nc(c(-c3cc(C)nc(C)c3)n2n1)-c1cccc(c1)C#N)C(C)(C)O |r|
C[C@H](NC(=O)c1ccc2nc(c(-c3cc(C)nc(CO)c3)n2n1)-c1cccc(c1)C#N)C(C)(C)O |r|
CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2cc(C)cc(C)c12
COC(=O)c1c(C(=O)OC)c2c(C)cc(C)cn2c1C(=O)c1ccc(OC)cc1
CCOC(=O)c1cc(C(=O)C2=CC=C(Br)CC2)n2cc(C)cc(C)c12 |t:10,12|
COC(=O)c1c(C(=O)OC)c2c(C)cc(C)cn2c1C(=O)c1ccc(Br)cc1
CCOC(=O)c1cc(C(=O)C2=CC=C(F)CC2)n2cc(C)cc(C)c12 |t:10,12|
CCOC(=O)c1cc(C(=O)c2ccccc2[N+]([O-])=O)n2cc(C)cc(C)c12
CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2cc(C)cc(C)c12
COC(=O)c1c(C(=O)OC)c2c(C)cc(C)cn2c1C(=O)c1ccc(C)cc1
CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2cc(C)cc(C)c12
COC(=O)c1c(C(=O)OC)c2c(C)cc(C)cn2c1C(=O)c1ccc(Cl)cc1
CCOC(=O)c1cc(C(=O)c2ccc(cc2)C#N)n2cc(C)cc(C)c12
COC(=O)c1c(C(=O)OC)c2c(C)cc(C)cn2c1C(=O)c1ccc(cc1)C#N
CCOC(=O)c1cc(C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n2cc(C)cc(C)c12
Fc1ccccc1-c1nc(NC2=NCC(C3CCC3)=N2)sc1-c1ccncc1F
COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1C |r|
[H][C@@]12CCC(C(C)CCC(C)C(C)(C)C)C1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OS([O-])(=O)=O)C2C[C@H](OS([O-])(=O)=O)[C@H](CC12C)OS([O-])(=O)=O
CCCCn1c(=O)[nH]c2nc[nH]c2c1=O
CCCn1c2nc[nH]c2c(=O)n(C)c1=O
CCCn1c(=O)[nH]c2nc[nH]c2c1=O
CCCn1cnc2n(CCC)c(=O)[nH]c(=O)c12
CCCCn1c(=O)n(C)c2nc[nH]c2c1=O
CCCn1c(=O)n(C)c2nc[nH]c2c1=O
CCCCn1c2nc[nH]c2c(=O)[nH]c1=O
CCCn1c2ncn(CC)c2c(=O)[nH]c1=O
CCCn1c2nc[nH]c2c(=O)n(CC)c1=O
CCCCn1c2nc[nH]c2c(=O)n(C)c1=O
CCCn1c2ncn(C)c2c(=O)n(CC)c1=O
CCCCn1c(=O)n(CCC)c2ncn(C)c2c1=O
CCCn1c2ncn(C)c2c(=O)[nH]c1=O
CCn1c2nc[nH]c2c(=O)[nH]c1=O
CCCn1c2ncn(C)c2c(=O)n(C)c1=O
CCCCn1cnc2n(CCC)c(=O)[nH]c(=O)c12
CCn1c2nc[nH]c2c(=O)n(C)c1=O
CCCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12
CCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12
CCCn1c2ncn(CC)c2c(=O)n(C)c1=O
CCn1c(=O)n(C)c2nc[nH]c2c1=O
CCCCn1c(=O)n(CCC)c2nc[nH]c2c1=O
CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
CCn1c(=O)[nH]c2nc[nH]c2c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20|
CCCn1c2nc(nc2c2NC(CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21|
CCCn1c2nc(nc2c2N[C@@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21|
CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(=O)C1
OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
CCC1CCCCN1C(=O)\C=C\c1c(nc2sc(C)nn12)-c1ccccc1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CC4CC3C3OC43)ncnc12 |r,THB:14:15:20.22:18,21:20:18:15.16,21:22:18:15.16|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CC4CC3C3OC43)ncnc12 |r,THB:14:15:20.22:18,21:20:18:15.16,21:22:18:15.16|
CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](C)[C@@H](N12)c1ccccc1 |t:4,19|
CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19|
CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19|
CCCOc1nc(N[C@@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1
COc1nc2n(ncc2c(=O)n1C)-c1ccccc1
CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1
Cn1c2n(ncc2c(=O)n(C)c1=O)-c1ccccc1
CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@H](N12)c1ccccc1 |t:4,19|
CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19|
CCCn1c2n(ncc2c(=O)n(C)c1=O)-c1ccccc1
CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19|
CCCOc1nc2n(ncc2c(=O)n1C)-c1ccccc1
CCn1c2nc(\C=C\c3ccc(OC)c(C)c3C)n(C)c2c(=O)n(CC)c1=O
CCCn1c2nc(\C=C\c3ccc(OC)cc3)n(C)c2c(=O)n(CCC)c1=O
CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CC)c1=O
CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(\C=C\c3cc(OC)c(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)ncnc12
NNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CCCn1c2nc(CC3CC3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@H]1CC2CC1C=C2 |c:25,TLB:6:17:22.23:20|
CCCn1c2nc(C3CCCC3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(\C=C\c3ccc(Cl)c(Cl)c3)n(C)c2c(=O)n(CCC)c1=O
CCCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CCCC)c1=O |w:9.9|
COc1cc(C=Cc2nc3n(CC=C)c(=O)n(CC=C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4|
CCCn1c2nc(C=Cc3ccc(Cl)c(Cl)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4|
CCCn1c2nc(\C(C)=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc(C=Cc3ccc(Cl)cc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCCn1c2nc(CCc3ccccc3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(C=Cc3ccc(OC)cc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C
CCCn1c2nc(CCC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCCn1c2nc(CCC3CCCC3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(C\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)[nH]c1=O |w:8.8|
COc1cc(\C=C\c2nc3n(CC=C)c(=O)n(CC=C)c(=O)c3n2C)cc(OC)c1OC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)=Cc1ccccc1 |w:19.21|
CCCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCCC)c1=O
CCCn1c2nc(C=Cc3ccc(OC)c(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCCn1c2nc(CC=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:9.9|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3CC1CC3C2 |TLB:6:17:19:24.25,6:17:21:24.23,THB:23:22:19:24.25,23:24:19:17.22.21,25:18:21:24.23,25:24:17.18.19:21,(-1.61,-5.86,;-1.61,-4.3,;-.27,-3.53,;-.27,-1.98,;1.08,-1.2,;2.55,-1.69,;3.48,-.43,;2.55,.83,;1.08,.34,;-.27,1.12,;-.27,2.68,;-1.6,.34,;-2.93,1.12,;-2.96,2.68,;-4.29,3.45,;-1.6,-1.2,;-2.93,-1.98,;5.02,-.4,;5.3,-3.04,;4.83,-1.82,;5.84,-.99,;6.17,.27,;7.49,.35,;7.96,-.87,;6.94,-1.7,;6.61,-2.96,)|
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC
OC(=O)C[C@@H]1CCCC[C@H]1n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
OC(=O)C[C@H]1CCCC[C@H]1n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1
Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1
CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1
Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1
Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 |wU:9.8,wD:12.12,(7.76,-9.44,;6.22,-9.46,;5.3,-10.73,;3.85,-10.24,;2.5,-11.04,;1.17,-10.27,;1.17,-8.73,;2.5,-7.93,;2.48,-6.39,;1.15,-5.65,;-.16,-6.42,;-1.5,-5.65,;-1.5,-4.11,;-2.84,-3.34,;-.16,-3.34,;1.17,-4.09,;3.83,-8.7,;5.3,-8.22,;5.75,-6.75,;-.16,-11.04,;-.15,-12.55,;-1.5,-13.32,;-2.82,-12.55,;-2.82,-11.01,;-1.5,-10.24,)|
C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
[H][C@@]12O[C@]1([H])C1CC2CC1Nc1ncnc2n(cnc12)[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O |r,TLB:10:9:3.1:6,2:3:6:9.8,2:1:6:9.8|
[H][C@]12O[C@@]1([H])C1CC2CC1Nc1ncnc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r,TLB:10:9:3.1:6,2:3:6:9.8,2:1:6:9.8|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1C(O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
CCCn1c2nc(NC3CCC3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc(CC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(C1)NC(C)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(N)CC1 |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;12.53,-10.5,;10.42,-11.71,;9.02,-11.71,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22|
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CNC(C)=O)CC1 |wU:17.18,wD:20.22,(11.75,-19.34,;11.75,-17.81,;13.08,-17.03,;13.08,-15.5,;14.43,-14.72,;15.9,-15.18,;16.79,-13.93,;15.87,-12.69,;14.41,-13.17,;13.08,-12.41,;13.08,-10.86,;11.75,-13.19,;10.43,-12.41,;10.42,-10.88,;9.09,-10.1,;11.75,-14.72,;10.42,-15.5,;18.34,-13.93,;19.09,-12.58,;20.62,-12.58,;21.41,-13.91,;22.95,-13.91,;23.72,-15.24,;25.26,-15.24,;26.03,-16.57,;26.03,-13.91,;20.64,-15.26,;19.1,-15.26,)|
CCCNC(=O)C1CCC(CC1)c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1 |(21.57,-12.45,;20.04,-12.45,;19.27,-11.12,;17.74,-11.12,;16.97,-9.79,;17.74,-8.46,;15.43,-9.79,;14.67,-11.12,;13.13,-11.12,;12.37,-9.79,;13.13,-8.46,;14.67,-8.46,;10.83,-9.79,;9.84,-11.18,;8.22,-10.65,;6.74,-11.49,;6.74,-13.19,;5.29,-14.04,;5.29,-15.74,;5.28,-10.65,;3.77,-11.53,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;6.74,-8.08,;6.74,-6.38,;8.22,-8.94,;9.84,-8.41,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)OC |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-11.71,;10.42,-11.71,;11.13,-10.5,;10.42,-9.29,;9.02,-9.29,;12.23,-10.48,;12.7,-9.22,;12.9,-11.18,;14.31,-11.14,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(N)C1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)N(C)CCN(C)C |(5.29,-15.74,;5.29,-14.04,;6.74,-13.19,;6.74,-11.49,;8.22,-10.65,;9.84,-11.18,;10.83,-9.79,;9.84,-8.41,;8.22,-8.94,;6.74,-8.08,;6.74,-6.38,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;5.28,-10.65,;3.77,-11.53,;12.37,-9.79,;13.13,-11.12,;14.67,-11.12,;15.43,-9.79,;14.67,-8.46,;13.13,-8.46,;16.97,-9.79,;17.74,-8.46,;17.74,-11.12,;16.97,-12.45,;19.27,-11.12,;20.04,-12.45,;21.57,-12.45,;22.34,-13.77,;22.34,-11.12,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;10.42,-11.71,;9.02,-11.71,;12.53,-10.5,;13.23,-9.29,;14.63,-9.29,;12.53,-8.06,)|
CCCn1c2nc(NC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(=O)N(C)CCN(C)C
CCCn1c2nc(NC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1=C(CCC1)C(O)=O |t:19|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CN)CC1 |(4.82,-14.36,;4.82,-12.81,;6.15,-12.03,;6.15,-10.48,;7.5,-9.72,;8.98,-10.2,;9.88,-8.93,;8.98,-7.67,;7.5,-8.15,;6.15,-7.37,;6.15,-5.82,;4.82,-8.15,;3.46,-7.37,;3.46,-5.82,;2.11,-5.03,;4.82,-9.72,;3.44,-10.52,;11.28,-8.93,;11.98,-10.15,;13.38,-10.15,;14.08,-8.93,;15.48,-8.93,;16.18,-10.15,;13.38,-7.72,;11.98,-7.72,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC1C(O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(O)=O |(4.04,-16.35,;4.04,-14.79,;5.38,-14.03,;5.38,-12.47,;6.72,-11.7,;8.19,-12.19,;9.1,-10.93,;8.19,-9.66,;6.72,-10.15,;5.38,-9.36,;5.38,-7.81,;4.03,-10.15,;2.68,-9.36,;2.68,-7.81,;1.34,-7.04,;4.03,-11.7,;2.66,-12.51,;10.49,-10.93,;11.19,-12.13,;12.58,-12.13,;13.29,-10.93,;12.58,-9.72,;11.19,-9.72,;14.4,-10.91,;15.05,-11.61,;14.87,-9.66,)|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)cc(nc12)[N+]([O-])=O |r|
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)nc(nc12)[N+]([O-])=O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)[N+]([O-])=O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)cc(nc12)[N+]([O-])=O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)[N+]([O-])=O |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r|
Nc1cc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCN3CCCCC3)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:7.12,5.4,35.37,wD:8.8,10.11,38.41,(-2.14,-10.42,;-1.05,-9.34,;-1.45,-7.85,;-.35,-6.77,;-.7,-5.26,;1.12,-7.24,;2.36,-6.34,;3.6,-7.24,;3.12,-8.72,;4.04,-9.95,;1.59,-8.72,;.69,-9.95,;3.38,-4.67,;4.3,-3.42,;3.38,-2.18,;1.92,-2.66,;.59,-1.89,;.57,-.35,;1.92,.42,;1.89,1.96,;3.23,2.73,;4.55,1.96,;5.89,2.73,;5.89,4.28,;4.53,5.03,;3.21,4.26,;.57,2.71,;.57,4.26,;-.77,5.01,;-2.1,4.24,;-2.09,2.7,;-.77,1.93,;-.75,-2.66,;-.75,-4.22,;-2.09,-4.98,;-2.87,-3.64,;-4.41,-3.66,;-5.2,-2.31,;-4.42,-.95,;-5.2,.37,;-2.87,-.95,;-2.09,-2.29,;.59,-4.98,;1.92,-4.2,)|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@@H]3CCC[C@H]3O)nc12
Nc1nc(N[C@H]2CCC[C@@H]2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3O)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cccc(Cl)c3)nc(NC3CCCC3)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cnc[nH]3)nc12
Nc1nc(N[C@@H]2CCC[C@H]2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@@H]3CCC[C@H]3O)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC3CCCC3)nc12
Cn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
CCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
CCCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
CCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
CCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
CCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
CCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
I.COc1cc2Cc3sc(N)nc3-c2cc1OC
I.CC(=O)Oc1ccc2-c3nc(N)sc3CCc2c1
I.CC(=O)Oc1cccc-2c1Cc1sc(N)nc-21
I.COc1ccc2-c3nc(N)sc3CCc2c1
CCCn1c2nc(C(C3CC3)C3CC3)n(CC)c2c(=O)n(CCC)c1=O
CCCn1c(nc2n(CCC)c(=O)n(CCC)c(=O)c12)C(C1CC1)C1CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)CC
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(C1CC1)C1CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)c1ccc(OC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)c1ccc(F)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CCCC1)c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CCCCC1)C1CCCCC1
CCCn1c2nc(C(C3CC3)C3CC3)n(C)c2c(=O)n(CCC)c1=O
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)C(C1CC1)C1CC1
CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)C(C1CC1)C1CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(c1ccccc1)c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccc(OC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)N
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)c1ccccc1
CCCn1c2nc(C(C3CC3)C3CC3)n(C(=O)OC)c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C(C1CC1)C1CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1C)C1CC1C
CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(C1CC1)C1CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)Oc1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)CC
CCCC(CCC)c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1
CCCn1c(=O)n(C)c2nc(C=Cc3ccccc3)[nH]c2c1=O |w:12.12|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccsc1
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccncc1
CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O |w:8.8|
CCCn1c(=O)n(C)c2nc(CCc3ccccc3)[nH]c2c1=O
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C#N
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccnc1
CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(C)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccs1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCCC1
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccncc1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccsc1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccccc1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(cc1)C#N
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccnc1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cccs1
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C#N
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(O)cc1
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccsc1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cccnc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccncc1
CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CC2CCC1C2 |THB:25:30:36:34.33|
CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
CCCN1c2ncn(Cc3ccccc3)c2C(=O)NCC1=O
CC(C)Cn1c2ncn(Cc3ccccc3)c2c(=O)n(C)c1=O
CCN1CC(=O)N(CC)c2ncn(Cc3ccccc3)c2C1=O
CN1CC(=O)N(C)c2nc[nH]c2C1=O
CCCN1CC(=O)N(CCC)c2ncn(Cc3ccccc3)c2C1=O
CCCN1CC(=O)N(CCC)c2ncn(C)c2C1=O
CC(C)CN1c2ncn(Cc3ccccc3)c2C(=O)N(C)CC1=O
CCCN1c2nc[nH]c2C(=O)NCC1=O
CCCn1c2ncn(Cc3ccccc3)c2c(=O)n(CCC)c1=O
Cn1c2ncn(Cc3ccccc3)c2c(=O)n(C)c1=O
CCN1CC(=O)N(CC)c2nc[nH]c2C1=O
CC(C)CN1c2nc[nH]c2C(=O)N(C)CC1=O
CCN1CC(=O)N(CC)c2ncn(C)c2C1=O
CN1CC(=O)N(C)c2ncn(Cc3ccccc3)c2C1=O
Nc1ncnc2n(ccc12)-c1ccccc1
NNc1ncnc2n(-c3ccccc3)c3ccccc3c12
CS(=O)(=O)c1nc(c2c3CCCCc3n(-c3ccccc3)c2n1)S(C)(=O)=O
Cc1[nH]c2nc(nc(N)c2c1C)-c1ccc(Cl)cc1
Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccc(Cl)cc1
CCCCCCn1c(C)c(C)c2c(N)ncnc12
C1CCC(CC1)Nc1ncnc2n(-c3ccccc3)c3ccccc3c12
Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccccc1
Cc1c(C)c2c(N)ncnc2n1CC=C
S=c1[nH]c2n(c3CCCCc3c2c(=S)[nH]1)-c1ccccc1
Cc1[nH]c2ncnc(N)c2c1C
Cc1c(C)c2c(N)ncnc2n1-c1ccccc1
Cc1c(C)c2c(N)nc(C)nc2n1-c1ccccc1
Cc1[nH]c2nc(C)nc(N)c2c1C
Cc1c(C)c2c(N)ncnc2n1Cc1ccc(Br)cc1
Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccccc1Cl
Cc1[nH]c2nc(nc(N)c2c1C)-c1cccc(Cl)c1
Cc1[nH]c2nc(nc(N)c2c1C)-c1ccccc1
O=c1[nH]cnc2n(c3CCCCc3c12)-c1ccccc1
Nc1ncnc2n(-c3ccccc3)c3ccccc3c12
COc1cccc(c1OC)-n1c(C)c(C)c2c(N)ncnc12 |(8.74,-18.23,;9.21,-16.76,;8.16,-15.62,;6.65,-15.96,;5.61,-14.82,;6.07,-13.36,;7.58,-13.04,;8.63,-14.16,;10.12,-13.83,;11.18,-14.96,;8.06,-11.56,;7.15,-10.33,;5.61,-10.33,;8.05,-9.09,;7.58,-7.61,;9.51,-9.54,;10.85,-8.77,;10.84,-7.23,;12.19,-9.54,;12.19,-11.08,;10.85,-11.85,;9.53,-11.08,)|
Nc1ncnc2n(c3CCCCc3c12)-c1ccccc1
CC(c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccc(Cl)c1
Clc1ncnc2n(-c3ccccc3)c3ccccc3c12
CC(c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl
O=c1[nH]cnc2n(-c3ccccc3)c3ccccc3c12
Nc1ncnc2n(c(C=O)c(C=O)c12)-c1ccccc1
C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
Cc1[nH]c2nc[nH]c(=O)c2c1C
Cc1[nH]c2nc(nc(N)c2c1C)-c1ccccc1Cl
C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
CSc1nc(SC)c2c3CCCCc3n(-c3ccccc3)c2n1
Nc1ncnc2n(c(C(O)=O)c(C(O)=O)c12)-c1ccccc1
FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12
Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1N
c1cc(oc1)c2nc3c4cc(ccc4nc(n3n2)N)Cl
CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Cn1ccnc1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
O[C@@H]1[C@@H](CSc2ncccn2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
O[C@@H]1[C@@H](CSc2nc3ccccc3s2)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
O[C@@H]1[C@@H](CSc2cccc(F)c2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
Cc1csc(SC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(NC4CCOC4)ncnc23)n1 |r|
O[C@@H]1[C@@H](CSc2ccccc2Cl)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
O[C@@H]1[C@@H](CSc2nc3ccc(Cl)cc3o2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
O[C@@H]1[C@@H](COc2ccccc2Cl)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
Cn1ccnc1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
O[C@@H]1[C@@H](COc2ccccc2F)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
O[C@@H]1[C@@H](CSc2ccccc2C(F)(F)F)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
O[C@@H]1[C@@H](CSc2ccccn2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
O[C@@H]1[C@@H](COc2cccc(F)c2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
O[C@@H]1[C@@H](CSc2nccs2)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
COc1ccc2nc(SC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(NC5CCCC5)ncnc34)sc2c1 |r|
O[C@@H]1[C@@H](COc2ccc(F)cc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
O[C@@H]1[C@@H](COc2ccccc2F)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
O[C@@H]1[C@@H](CSc2nc3ccccc3s2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
O[C@@H]1[C@@H](COCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
O[C@@H]1[C@@H](CSc2ccccc2F)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@@H]1[C@@H](CSc2ccc(F)cc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
O[C@@H]1[C@@H](CSc2c(Cl)cccc2Cl)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12
COc1ccc2sc(SC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(NC5CCCC5)ncnc34)nc2c1 |r|
O[C@@H]1[C@@H](CSc2nccs2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
Cc1ccccc1OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
Cc1cccc(Cl)c1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
Cc1ccccc1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
Cc1cccc(C)c1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
Cc1cc(COC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(NC4CCOC4)ncnc23)no1 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
CCCn1c2nc(C3CCCCC3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(O)=O
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccc(cc1)C(O)=O
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccccc1
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCC1
CCCn1c2nc(-c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
COC(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
CC(C)CCn1c(=O)n(CC(C)C)c2nc[nH]c2c1=O
CCCn1c2nc(-c3ccc(cc3)C(O)=O)n(C)c2c(=O)n(CCC)c1=O
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(cc1)C(O)=O
CCCn1c2nc(-c3ccc(cc3)S(O)(=O)=O)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C1CCCCC1
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCCC1
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccc(cc1)S(O)(=O)=O
CCCn1c2nc(-c3ccc(cc3)C(=O)OC)n(C)c2c(=O)n(CCC)c1=O
CC(C)CCn1c(=O)n(CC(C)C)c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
CC(C)CCn1c(=O)n(CC(C)C)c2nc([nH]c2c1=O)-c1ccccc1
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
CN1c2c([nH]cn2)C(=O)NC1=O
CCCCn1c2cc3nc[nH]c3cc2c(=O)n(CCCC)c1=O
CCCn1c2ccc3[nH]cnc3c2c(=O)n(CCC)c1=O
CCn1c2cc3nc([nH]c3cc2c(=O)n(CC)c1=O)-c1ccccc1
Cn1c2ccc3[nH]c(nc3c2c(=O)n(C)c1=O)-c1ccccc1
Cn1c2cc3nc([nH]c3cc2c(=O)n(C)c1=O)-c1ccccc1
Cn1cnc2cc3c(cc12)n(C)c(=O)n(C)c3=O
CC(C)Cn1c2cc3nc[nH]c3cc2c(=O)n(C)c1=O
CCCn1c2cc3nc[nH]c3cc2c(=O)n(CCC)c1=O
CC(C)Cn1c2ccc3[nH]cnc3c2c(=O)n(C)c1=O
Cn1cnc2ccc3n(C)c(=O)n(C)c(=O)c3c12
Cn1cnc2cc3n(C)c(=O)n(C)c(=O)c3cc12
Cn1c2ccc3[nH]cnc3c2c(=O)n(C)c1=O
Cn1c2cc3nc[nH]c3cc2c(=O)n(C)c1=O
CCn1c2ccc3[nH]c(nc3c2c(=O)n(CC)c1=O)-c1ccccc1
CCCCn1c2ccc3[nH]cnc3c2c(=O)n(CCCC)c1=O
CC1CCCCN1CCCNCC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
Cc1nn(C)c(N)c1C(=O)c1ccccc1F
CCN(CC)CC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12 |r|
CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10|
CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(N)=O
C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](C)Cc3ccccc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](CC)Cc3ccccc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12 |r|
CC[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](CC)Cc3ccccc3)ncnc12 |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CC[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
c1ccc(cc1)CCCCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
c1ccc(cc1)CCCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
CC(CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C1OC21 |THB:6:17:22.24:20,23:22:20:17.18,23:24:20:17.18|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCN(C)C
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1O
Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccccc1
CCn1c2[nH]c(nc2c(=O)n(CC)c1=O)-c1ccccc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)C)cc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C2CCCCC2)C(=O)NC2CCCCC2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC2SCC3NC(=O)NC23)cc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(CC)Cc2ccc(O)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(C)=O)cc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCCCCCCCN)cc1
Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccc(OCC(O)=O)cc1
Cc1ccc(NC(=O)COc2ccc(cc2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN)cc1
CCCn1c(=O)n(CCc2ccc(N)cc2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c(=O)n(Cc2ccc(N)cc2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
CC(C)N(c1ccccc1)c1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)cc(Cl)nc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)cc(Cl)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ccnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ccnc12 |r|
CC(Cc1ccccc1)Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
[H][C@]12CC[C@]([H])(C1)C(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
[H][C@]12CCC(C1)[C@]([H])(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
[H][C@]12CCC(C1)[C@]([H])(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,THB:9:6:5:3.2|
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
[H][C@@]12CC[C@@]([H])(C1)[C@@]([H])(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,THB:10:7:6:3.2|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(F)cc1F
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(N)(=O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(O)ccc1O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccc(O)c1O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)c(Cl)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1OC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)N(C)C
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@H](C)Cc1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H](C)Cc1ccccc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
C[C@@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCc4ccccc34)ncnc12 |r|
COc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r|
CCCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
COc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(OCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2cccc3ccccc23)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Cc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 |r|
Nc1nc(OCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2ccccc2Cl)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2cccs2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
COc1ccccc1CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Nc1nc(Oc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Cc1ccccc1CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1OC |r|
Nc1nc(OCCc2c[nH]c3ccccc23)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCCCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2ccc3ccccc3c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
COc1cccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)c1 |r|
Cc1cccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)c1 |r|
Nc1nc(OCCc2cccc(F)c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 |r|
Nc1nc(OCCc2ccccc2F)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
COc1cc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc(OC)c1OC |r|
Nc1nc(OCCc2cccc(Cl)c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2ccc(F)cc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2ccsc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
C[C@@](O)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
CCOP(=O)(CCc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1)OCC
Nc1nc(NCCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCc2ccc(\C=C\c3ccccc3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
C[C@](O)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Nc1nc(NCCCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CC(C)(C)OC(=O)Cc1cccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
Cc1nn(C)c2cc3n(C)nc(C)c3cc12
CC(C)Cn1c2nc[nH]c2c(=O)n(CC(C)C)c1=O
CCn1nc(C)c2cc3c(C)nn(CC)c3c(C)c12
CCn1nc(C)c2cc3c(C)nn(CC)c3cc12
Cc1n[nH]c2cc3n[nH]c(C)c3cc12
Cc1n[nH]c2c([N+]([O-])=O)c3n[nH]c(C)c3cc12
CCn1c2nc[nH]c2c(=O)n(CC)c1=O
Cc1nn(C)c2c(C)c3n(C)nc(C)c3cc12
CCCn1nc(C)c2cc3c(C)nn(CCC)c3cc12
C=CCn1c2nc[nH]c2c(=O)n(CC=C)c1=O
Cc1n[nH]c2c(C)c3n[nH]c(C)c3cc12
CC(O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCCC1 |r|
CC(C)(O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCCCCC1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC(O)c1ccccc1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCc1ccccc1 |r|
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCC1CCCC1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1CCCC1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCO |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCCCC1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1
CCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
CCCc1ccccc1-c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O
CCc1nnc2c(NC3CCC3)nc3ccccc3n12
Cc1nnc2c(NC3CCCC3)nc3ccccc3n12
CCc1nnc2c(NCC(C)O)nc3ccccc3n12
CCCCc1nnc2c(NC3CCCC3)nc3ccccc3n12
CCc1nnc2c(Nc3ccccc3)nc3ccccc3n12
CCCc1nnc2c(NC3CCCC3)nc3ccccc3n12
CCc1nnc2c(NC3CC4CCC3C4)nc3ccccc3n12 |TLB:7:8:14:12.11|
CCN(CC)c1nc2ccccc2n2cnnc12
CCc1nnc2c(NC(C)C)nc3ccccc3n12
CCc1nnc2c(NC3CCCC3)nc3ccccc3n12
CC(C)Nc1nc2ccccc2n2cnnc12
CCc1nnc2c(NC3CCCCC3)nc3ccccc3n12
CCc1nnc2c(NC3CC3)nc3ccccc3n12
C1CCC(C1)Nc1nc2ccccc2n2cnnc12
Cn1c2ccccc2c2nc(nn2c1=N)-c1ccco1
CC(C)(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Nc1nc2ccc(OCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc[nH]1
OCCNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CN(C)c1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)o1
Nc1nc2ccc(Cl)cc2c2nc(nn12)C1CCCO1
Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1cccs1
Nc1nc2ccccc2c2nc(nn12)-c1ccco1
CNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccoc1
Nc1nc2ccc(O)cc2c2nc(nn12)-c1ccco1
CCC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
COc1ccc2nc(N)n3nc(nc3c2c1)-c1ccco1
Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)CC |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN(C)C |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCO |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCO |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCCl |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC1CCCCC1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(C)O |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(C)=C |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCO |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC1(O)CCCC1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(C)(O)CC(C)C |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(C)(O)c1ccccc1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCC#N |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC1(N)CCCCC1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC1=CCCCC1 |r,t:27|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCOC1CCCCO1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCC(C)O |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCCO |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(OCC)OCC |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1 |r|
CCCn1c2nc(CNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)CBr
CCCn1c2nc(NC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc(NC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc(CCCNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc(NC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
FS(=O)(=O)c1ccc(cc1)C(=O)OCCCn1c2nc([nH]c2c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c1=O)C1CCCC1
CCCN1C(=O)C2NC(NC2N(CCCOC(=O)CBr)C1=O)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)c1cccc(c1)S(F)(=O)=O
CCCn1c2nc(CCNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc(CCCNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc(CN3C(=O)C=CC3=O)[nH]c2c(=O)n(CCC)c1=O |c:11|
CCCn1c2nc(CCNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
CCCn1c(=O)n(CC(C)OC(=O)CBr)c2nc([nH]c2c1=O)C1CCCC1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(SC)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCN)cc3)nc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
c1cc(ccc1CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(NC)nc12 |r|
Nc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(CCN4CCCC4)c4ccccc34)ncnc12 |r|
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4cccc(c4)[N+]([O-])=O)c4ccccc34)ncnc12 |r|
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4cccc5ccccc45)c4ccccc34)ncnc12 |r|
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3c[nH]c4ccccc34)ncnc12 |r|
Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3cc(Cl)ccc23)c1 |r|
COCCn1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r|
Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3cc(C)ccc23)c1 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4cc(C)ccc4C)c4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4ccc(Cl)cc4)c4ccccc34)ncnc12 |r|
CC(C)n1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r|
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(C4CCCC4)c4ccccc34)ncnc12 |r|
Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c3ccccc23)c1 |r|
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4cccnc4)c4ccccc34)ncnc12 |r|
COCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4ccc(Cl)cc4)c4ccccc34)ncnc12 |r|
Cc1c(CCNc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc2n1C1CCCC1 |r|
CC(CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1)c1cn(Cc2cc(C)ccc2C)c2ccccc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)c3ccccc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(C)c3)ncnc12 |r|
CCCn1c(=O)n(C)c2ncn(C)c2c1=O
Cn1cnc2n(C)c(=O)n(CC=C)c(=O)c12
CCCn1cnc2n(CC(C)C)c(=O)n(C)c(=O)c12
CCCn1c2ncn(CC=C)c2c(=O)n(CCC)c1=O
Cn1c2nc[nH]c2c(=O)n(CCO)c1=O
O=c1n(Cc2ccccc2)c2nc[nH]c2c(=O)n1Cc1ccccc1
CC(=O)OCCn1cnc2n(C)c(=O)n(C)c(=O)c12
CC(C)Cn1c2ncn(C)c2c(=O)n(C)c1=O
CCCn1cnc2n(CCC)c(=O)n(CCC)c(=O)c12
CC(C)n1c2nc[nH]c2c(=O)n(C)c1=O
Cn1c2ncn(CC=C)c2c(=O)n(C)c1=O
Cn1c(=O)n(CCO)c2nc[nH]c2c1=O
Cn1cnc2n(C)c(=O)n(CC#C)c(=O)c12
CCCn1cnc2c1C(=O)N(C(=O)N2C)C
CC(C)Cn1c2ncn(CC=C)c2c(=O)n(C)c1=O
CC(C)Cn1c2ncn(CC#C)c2c(=O)n(C)c1=O
Cn1c2ncn(CC#C)c2c(=O)n(C)c1=O
CCCn1c2ncn(CC#C)c2c(=O)n(CCC)c1=O
Cn1cnc2n(CC=C)c(=O)n(CC=C)c(=O)c12
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCCN)cc1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(CC(=O)OC)cc2)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1
CCNC(=O)COc1ccc(cc1)-c1nc2n(CC)c(=O)n(CC)c(=O)c2[nH]1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCOC(=O)CC)cc1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1
CCC(=O)OCOc1ccc(cc1)-c1nc2n(CC)c(=O)n(CC)c(=O)c2[nH]1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCOC(=O)C(C)C)cc1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCCN)cc1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)NCCN)cc1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3[N+]([O-])=O)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(C)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 |r|
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)c(Cl)c1
CCn1nc(C)c2nc([nH]c(=O)c12)-c1ccncc1
Cc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1N
Cc1nn(C)c2c1nc([nH]c2=O)-c1ccncc1
COc1ccc(cc1OC)-c1nc2c(C)nn(C)c2c(=O)[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccnc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccncc1
COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1cccc(c1)-c1nc2c(C)nn(C)c2c(=O)[nH]1
Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(Cl)c(Cl)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(N)c1
COc1ccc(c(OC)c1)-c1nc2c(C)nn(C)c2c(=O)[nH]1
Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O
CC(Sc1nc(SC(C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O
CCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
COc1cc(OC)cc(c1)-c1nc2c(C)nn(C)c2c(=O)[nH]1
Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(C)cc1
Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(cc1)C(F)(F)F
Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Cc1nn(C)c2c1nc([nH]c2=O)-c1cccc(N)c1
CCn1nc(C)c2nc(Cc3ccccc3)[nH]c(=O)c12
COc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(N)cc1
Cc1nn(C)c2c1nc(Cc1ccccc1)[nH]c2=O
Cc1nn(C)c2c1nc[nH]c2=O
CCn1nc(C)c2nc([nH]c(=O)c12)-c1ccccc1
Cc1nn(C)c2c1nc([nH]c2=O)-c1cccnc1
Cn1c2nc(Cc3ccccc3)[nH]c2c(=O)n(C)c1=O
Cc1nn(C)c2c1nc([nH]c2=O)-c1cccc(c1)[N+]([O-])=O
COc1ccccc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1N
Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1[N+]([O-])=O
CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1nc2c(C)nn(C)c2c(=O)[nH]1
COc1ccccc1-c1nc2c(C)nn(C)c2c(=O)[nH]1
Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(cc1)S(O)(=O)=O
Cc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(c1)[N+]([O-])=O
COc1cc(OC)cc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1ccc(-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c(OC)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)[N+]([O-])=O
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(OC)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(OC)cc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)[N+]([O-])=O)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3OC)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
CNC(=O)[C@@H]1C[C@H](N)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Cn1cnc2c(NCc3cccc(I)c3)nc(NN)nc12
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3NCc4cccc(c4)I)O)O
CNC(=O)[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
CNC(=O)[C@@H]1C[C@@H](F)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
[H][C@@]12CO[Si](O[Si](O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12)(C(C)C)C(C)C)(C(C)C)C(C)C |r|
CNC(=O)[C@@H]1CC[C@@H](O1)n1cnc2c(NCc3ccccc3)nc(Cl)nc12 |r|
CNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
[H][C@]12OC(=S)O[C@@]1([H])[C@@H](O[C@@H]2C(=O)NC)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
Ic1cccc(CNc2ncnc3n(CCCC#N)cnc23)c1
CNC(=O)[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
Cn1cnc2c(NCc3cccc(I)c3)nc(N)nc12
CNC(=O)[C@@H]1C[C@@H](OC(C)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
CNC(=O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Cn1cnc2c(NCc3cccc(I)c3)nc(Sc3ccncc3)nc12
CSc1nc(NCc2cccc(I)c2)c2ncn(C[C@H](O)CO)c2n1
C[C@@H](CO)n1cnc2c(NCc3cccc(I)c3)ncnc12
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12 |r|
OC[C@@H](O)Cn1cnc2c(NCc3cccc(I)c3)ncnc12
CSc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
CNc1nc(NC(=O)c2cccc(I)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
OCCn1cnc2c(NCc3cccc(I)c3)ncnc12
CN(C)c1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
CNc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Cn1cnc2c(NCc3cccc(I)c3)ncnc12
COc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12 |r|
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r|
CCC1C(=O)N2N=C(C)SC2N(CC)C1=O |t:6|
CCC1C(=O)N2C=CSC2N(CC2CC2)C1=O |c:6|
CCCC1C(=O)N2N=CN(C)C2N(C)C1=O |c:7|
CCC1C(=O)N2C=CSC2N(Cc2ccccc2)C1=O |c:6|
CCCCCN1C2SC=NN2C(=O)C(C)C1=O |c:8|
CCCC1C(=O)N2C=CSC2N(CCC)C1=O |c:7|
CCN1C2SC=NN2C(=O)C(C)C1=O |c:5|
CCOc1ccc2N3C(Sc2c1)N(CC1CC1)C(=O)C(CC)C3=O
O=C1C(Cc2ccccc2)C(=O)N(CC2CC2)C2SC=CN12 |c:21|
CCN1C2SC=NN2C(=O)C(Cc2ccc(Cl)cc2)C1=O |c:5|
CCC1C(=O)N(CC)C2N(C=Cc3ccccc23)C1=O |c:10|
CCC1C(=O)N2C(Sc3ccccc23)N(CC2CC2)C1=O
CCC1C(=O)N2N=C(SC2N(CC)C1=O)c1ccccc1 |c:6|
CCN1C2SC=NN2C(=O)C(Cc2ccccc2)C1=O |c:5|
CCC1C(=O)SC2N(C)C=CN2C1=O |c:9|
CCC1C(=O)N2C=CSC2N(CC)C1=O |c:6|
CCCC1C(=O)N2C(Sc3ccccc23)N(CC(C)C)C1=O
CCC1C(=O)N2C=CSC2N(Cc2cc(OC)cc(OC)c2)C1=O |c:6|
CCC1C(=O)N2C(SC=C2c2ccccc2)N(CC2CC2)C1=O |c:8|
CCC1C(=O)N2N=CSC2N(CC)C1=O |c:6|
CCC1C(=O)N2C(Sc3ccccc23)N(CC(C)C)C1=O
CCN1C2SC=NN2C(=O)CC1=O |c:5|
COc1ccc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r|
COc1cc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)ccc1O |r|
Cc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:6.5|
Nc1nc(N\N=C\c2ccco2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
[#7]-c1nc(-[#7]\[#7]=[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
CN(C)c1ccc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r|
COc1ccccc1\C=C\C=N\Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(N\N=C\C=C\c2ccco2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\C=C\c2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
OC[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC3CCCCC3)ncnc12 |r|
C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
OC[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC3CCCC3)ncnc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1
Cn1cnc2c1ncnc2N
C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O |r|
C[C@@]1(O)[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12 |r|
Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)ncnc12 |r|
Nc1cc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(NCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CNC(=O)[C@@]1(C)O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3COc4ccccc4O3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NO)ccnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)ncnc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCCNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@H](CO)[C@@H](O)[C@H]1O |r|
c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N
Nc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@H](CO)[C@@H](O)[C@@H]1O |r|
Nc1ncnc2n(cnc12)[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN1CCCCC1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)[N+]([O-])=O |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN1CCN(C)CC1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN1CCOCC1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCc1ccccc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1cccs1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(OC)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CC#N)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1cccc(C=O)c1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1cccc2ccccc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccco1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1C=O |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(O)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1cccnc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCn1ccnc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(N)=O |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccn1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(N)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(F)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(C)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCc1ccccc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CCC(O)=O)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1nccs1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CCC(=O)OC(C)(C)C)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(C)=O |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccncc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(C=O)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN1CCSCC1 |r|
C[C@@H](Cn1c2ccccc2c2c(N)nc(nc12)-c1ccccc1)c1ccccc1 |r|
C[C@@H](Cc1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1 |r|
CCOC(=O)C1C(C)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:13,15|
COC(=[OH+])C1=C(C)[N-]C(C)=C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O |c:4,9|
CCOC(=O)C1=C(C)NC(C)=C(C1C#Cc1ccccc1)C(=O)OC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1\C=C\c1ccccc1)C(=O)OC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1)C(=O)OC |c:5,10|
CCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:5,t:8|
COC(=O)c1cnc(nc1Cc1ccccc1)N(C)C
CN(C)c1ncc(C(O)=O)c(Cc2ccccc2)n1
CCOC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O
CCOC(=O)c1sc(SCc2ccccc2)c2c1CC(C)(C)CC2=O
CCOC(=O)c1sc(SCC)c2c1CC(C)(C)CC2=O
CCOC(=O)c1sc(SC(C)CC)c2c1CC(C)(C)CC2=O
CSc1sc(C(=O)NN)c2CCC=Cc12 |c:12|
CCOC(=O)c1sc(c2c1CC(C)(C)CC2=O)S(C)(=O)=O
CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
CCCC\C=C/c1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
CCCC\C=C/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\c3ccccc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C/CCCc3ccccc3)nc12 |r|
CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\CCCc3ccccc3)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3I)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3OC)ncnc12 |r|
CCCCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NC(C)(C)C)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3F)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(F)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(I)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(Cl)cc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3C(F)(F)F)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(OC)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(I)cc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(F)cc3)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(C)cc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Br)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3Cl)ncnc12 |r|
CC(C)CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
CCCNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCNc1nc2c(N)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCCNc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NC3CCCC3)nc12 |r|
CCCCNc1nc2c(NC3CCCC3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CNc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NC3CCCC3)nc12 |r|
CCNc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NC3CCCC3)nc12 |r|
CCNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(NC2CCCC2)nc2c(NC3CCCC3)ncnc12 |r|
CCCNc1ncnc2n(C3O[C@H](CO)[C@@H](O)[C@H]3O)c(NC3CCCC3)nc12 |r|
CCCNc1nc2c(N)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@H]1N=[N+]=[N-])n1cnc2c(NC3CCCC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1)n1cnc2c(NC3CCCC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(cc1)[N+]([O-])=O)n1cnc2c(NC3CCCC3)ncnc12
Cc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12
Cc1ccc(cc1C)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)CCCC2CCCCC2)[C@H]1O
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)CCOc2ccccc2)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)cc1)n1cnc2c(NC3CCCC3)ncnc12
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccccc2)[C@H]1O
OCC1OC(C(O)[C@H]1NC(=O)CCCC1CCCCC1)n1cnc2c(NC3CCCC3)ncnc12
OCC1OC(C(O)[C@H]1NC(=O)Cc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
COc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12
Nc1ncnc2n(cnc12)C1OC(CO)[C@H](NC(=O)CCCCc2ccccc2)C1O
O=c1[nH]c2nc(C=Cc3ccccc3)[nH]c2c(=O)n1CC#C |w:7.7|
Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1cccs1
Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)-c1ccccc1
COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC
Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
C[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
CCCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
CNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
CCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
CCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
CCOc1ccc(c(OCC)c1)-c1oc2cc(OCC)cc(OCC)c2c(=O)c1OCC
COc1cc(OC)c2c(c1)oc(-c1ccccc1)c(OC)c2=O
CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
COc1ccc(cc1)-c1oc2cc(OC)cc(OC)c2c(=O)c1OC
COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(C)cc2o1
COc1ccc2OC(C#Cc3ccccc3)C(O)C(=O)c2c1
CCOc1cc(O)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
COc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2
COc1ccc(cc1OC)-c1cc(=O)c2ccc(O)cc2o1
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Oc1cccc2oc(cc(=O)c12)-c1ccccc1
CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(-c1ccccc1)c(OC(C)=O)c2=O
COc1ccc(c(OC)c1)-c1oc2cc(OC)cc(OC)c2c(=O)c1OC
[#6]-[#8]C1([#6]-c2oc(c(-[#6]\[#6]=[#6](\[#6])-[#6])c(=O)c2-[#6](-[#8])=[#6]1\[#6]=[#6]\[#6](-[#6])-[#6])-c1ccc(-[#8])cc1-[#8])[#8]-[#6] |c:18|
OC1C(=O)C(Oc2ccccc12)c1ccccc1O
CCCOc1cc(OCCC)c2c(c1)oc(-c1ccccc1)c(OCCC)c2=O
c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O
CCCOc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
c1ccc(cc1)C2=CC(=O)c3ccccc3O2
COc1cc(OC)c(c(OC)c1)-c1oc2ccccc2c(=O)c1O |(16.48,-10.59,;16.35,-9.06,;14.97,-8.39,;13.7,-9.27,;12.32,-8.6,;11.06,-9.48,;11.17,-11,;12.21,-7.08,;13.47,-6.2,;13.34,-4.68,;14.84,-4.26,;14.85,-6.85,;10.82,-6.41,;9.54,-7.29,;8.16,-6.63,;6.92,-7.51,;5.51,-6.85,;5.38,-5.32,;6.66,-4.44,;8.04,-5.09,;9.3,-4.22,;9.18,-2.7,;10.69,-4.87,;11.96,-4.01,)|
Oc1ccccc1C1CC(=O)c2ccccc2O1
COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O
CCOc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc23)[C@](C)(O)[C@@H]1O
C[C@@]1(O)[C@H](O)[C@@H](CO)OC1n1cnc2c(N)nc(Cl)nc12 |r|
C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@@]1(C)O |r|
COc1cccc(c1)-n1nc(C)c2c(O)c3ccccc3nc12
COc1cccc(c1)-n1cnc2nc3ccccc3nc12
CCCOc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1cccc(N)c1
COc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1ccccc1
Cc1nn(-c2cccc(N)c2)c2oc3ccc(Br)cc3c(=O)c12
Cc1nn(-c2ccc(Cl)c(N)c2)c2oc3ccccc3c(=O)c12
COc1ccc2oc3n(nc(C)c3c(=O)c2c1)-c1cccc(N)c1
Cc1nn(-c2cccc(N)c2)c2nc3ccccc3c(O)c12
COc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1cccc(N)c1
Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2nc3ccccc3c(O)c12
Cc1nn(-c2cccc(N)c2)c2oc3ccccc3c(=O)c12
Oc1cccc(c1)-n1cnc2nc3ccccc3nc12
[O-][N+](=O)c1cccc(c1)-n1cnc2nc3ccccc3nc12
Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3cc(=[OH+])ccc3c([O-])c12
Cc1nn(-c2ccccc2)c2oc3ccc(O)cc3c(=O)c12
COc1ccc2oc3n(nc(C)c3c(=O)c2c1)-c1cccc(c1)[N+]([O-])=O
Cc1nn(-c2cccc(N)c2)c2oc3cc(O)ccc3c(=O)c12
Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3cc(OCc4ccccc4)ccc3c(=O)c12
Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3ccc(O)cc3c(=O)c12
COc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1cccc(c1)[N+]([O-])=O
Cc1nn(-c2cccc(N)c2)c2oc3cc(OCCc4ccccc4)ccc3c(=O)c12
Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3cc(OCCc4ccccc4)ccc3c(=O)c12
Cc1nn(-c2ccccc2)c2oc3cc(O)ccc3c(=O)c12
Cc1nn(-c2ccccc2)c2oc3ccc(Br)cc3c(=O)c12
Cc1nn(-c2ccc(Cl)c(c2)[N+]([O-])=O)c2nc3ccccc3c(O)c12
Cc1nn(-c2cccc(NCc3ccccc3)c2)c2oc3ccccc3c(=O)c12
Cc1nn(-c2ccc(Cl)c(N)c2)c2nc3ccccc3c(O)c12
Cc1nn(-c2cccc(O)c2)c2nc3ccccc3c(O)c12
Cc1nn(-c2ccccc2)c2nc3ccccc3c(O)c12
CCCOc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1cccc(c1)[N+]([O-])=O
Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3ccc(Br)cc3c(=O)c12
COc1ccc2oc3n(nc(C)c3c(=O)c2c1)-c1ccccc1
Cc1nn(-c2ccc(Cl)c(c2)[N+]([O-])=O)c2oc3ccccc3c(=O)c12
CO.CC(NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 |r|
C[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 |r|
C[C@@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(NS(=O)(=O)c4ccccn4)cc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccccc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccccc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(I)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CCCCc1ccccc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#CC(O)c1ccccc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccc(OC)c(OC)c3)ncnc12
CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
CCCCC#Cc1nc(NC(=O)Nc2cccc(Cl)c2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccco3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)C(C)=O)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(Cl)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cc(C)on3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3nncs3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(I)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(cc3)-c3ccccc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccccc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(Cl)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CC(O)c1ccccc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#Cc1ccccc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(NS(=O)(=O)c4ncccn4)cc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Cc3ccc(Cl)cc3Cl)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1ccc(Cl)cn1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@H](C)c3ccccc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@@H](C)c3ccccc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccccc3Cl)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(OC)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O
CCOC(=O)C1=C(C)NC(C2CCCC2)=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1 |c:5,15|
C[C@H](Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3)nnc12 |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3Cl)nnc12 |r|
CCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCC |r|
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CCl)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c2n1 |r|
CCCn1c2nc(C(C3CC3)C3CC3)n(CC(O)=O)c2c(=O)n(CCC)c1=O
Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)C1CCCC1
FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccc(Cl)cc3n12
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C1CCCC1
c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C12CC3CC1CC(C2)C3 |TLB:16:15:20:17.18,THB:16:17:20:14.15.21|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCC1C2 |TLB:6:17:23:21.20|
CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
CCCn1c2nc(CC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C=C2 |c:25,TLB:6:17:22.23:20|
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C12CC3CC1CC(C2)C3 |THB:19:18:15:21.20.22,19:20:15:18.17|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCCC2C1
CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)C12CC3CC1CC(C2)C3 |TLB:22:21:26:23.24,THB:22:23:26:20.21.27|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C(C)(C)CCC1(C)C
CCCn1c2nc(CC34CC5CC(CC(C5)C3)C4)[nH]c2c(=O)n(CCC)c1=O |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:13:14:9:12.17.11,13:12:9:14.16.15|
CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C12CC3CC1CC(C2)C3 |THB:21:20:17:23.22.24,21:22:17:20.19|
CCCn1c2nc(C[C@H]3CC4CCC3C4)[nH]c2c(=O)n(CCC)c1=O |TLB:7:8:14:12.11|
CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)C1CCCC1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)C12CC3CC1CC(C2)C3 |TLB:18:17:22:19.20,THB:18:19:22:16.17.23|
CCCOc1nc(N[C@@H](C)[C@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1
CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2cnn(-c3ccccc3)c2n1 |r|
CCCOc1nc(N[C@H](C)[C@@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1
CCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
C[Si](C)(C)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCOCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCOCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
COCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCCCOCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCO |r|
[Na+].OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)S([O-])(=O)=O)ncnc12 |r|
C[C@@H](N)Cc1ccc(I)cc1 |r|
NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
N.OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccc(cc3)S(O)(=O)=O)ncnc12 |r|
[Na+].OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccc(cc3)S([O-])(=O)=O)ncnc12 |r|
[Na+].OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCS([O-])(=O)=O)ncnc12 |r|
CCCCn1c2nc(CCCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O
CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCC(O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC(O)=O)cc1
CCCCn1c2nc(CCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O
CCCCCCn1c2nc[nH]c2c(=O)n(CCCCCC)c1=O
CCCCn1c2nc(CCCCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O
OC(=O)COc1ccc(cc1)-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
Cn1c(\C=C\c2cccc(NC(=O)CCCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
CCCCn1c2nc(\C=C\C(=O)OC)n(C)c2c(=O)n(CCCC)c1=O
Cn1c(\C=C\c2cccc(NC(=O)CCCCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(O)=O)cc1
CCCCn1c(=O)n(Cc2ccccc2)c2nc[nH]c2c1=O
Cn1c2nc(CCCC(O)=O)[nH]c2c(=O)n(C)c1=S
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CN(CC(O)=O)C(=O)CCC(O)=O)cc1
CCCCn1c2nc(\C=C\C(O)=O)n(C)c2c(=O)n(CCCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:22.24|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNCC(O)=O)cc1
CCCCn1c2nc(C=CC(O)=O)[nH]c2c(=O)n(CCCC)c1=O |w:9.9|
CCCCn1c2nc[nH]c2c(=O)n(CCCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)OCN(CC(O)=O)C(=O)OCC2c3ccccc3-c3ccccc23)cc1
Cn1c(\C=C\c2cccc(NC(=O)CCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
C[C@H](Cc1ccc(O)c(I)c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCn1c2nc(CC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)[nH]c2c(=O)n(CCC)c1=O |THB:13:12:9:14.16.15,13:14:9:12.17.11|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC2CC1C=C2 |c:25,TLB:6:17:22.23:20|
CC1(CCCCC1)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1(C)CCCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc2ccccc2o1
CCCn1c2nc(CC(C)(C)C)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(C)CC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(co1)S([O-])(=O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnns1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccco1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(O)(CC)CC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc2ccccc2n1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1csc(C)n1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)ncnc12 |r|
CC(C)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1c2ccccc2-c2ccccc12
CCCC(CCC)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC(C)(C)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@H]1CC2CCC1C2 |THB:6:17:23:21.20|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc2ccccc2s1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(C)C
CC(C)(C)CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(C)CCC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nnn[nH]1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnsn1
CCC(C)(C)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)ncnc12 |r,THB:20:21:16:19.24.18,20:19:16:21.23.22|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(O)CC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC2CCCC12
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1Cc2ccccc2C1
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCn1c2ncn(CC=C)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCC(C)=O)c1=O
CCCn1c2ncn(CCC=C)c2c(=O)n(C)c1=O
CCCn1c2ncn(CCC(C)=O)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCOCC)c1=O
CCCn1c2ncn(CC#N)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCCOC)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCCCC(C)=O)c1=O
CCCn1c2nc[nH]c2c(=O)n(CC(C)=O)c1=O
CCCn1c2nc[nH]c2c(=O)n(CC(N)=O)c1=O
CCCn1c2nc[nH]c2c(=O)n(CC(O)=O)c1=O
CCCn1c2ncn(CCOCC)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CC#N)c1=O
CCCn1c2nc[nH]c2c(=O)n(CC=C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCCN(C)C)c1=O
CCCn1c2ncn(CCO)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCC(O)=O)c1=O
CCCn1c2ncn(CCCO)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCOC)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCC(N)=O)c1=O
CCCn1c2ncn(CC(C)=O)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCC=C)c1=O
CCCn1c2ncn(CCCN(C)C)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCCO)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCC#N)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCN(C)C)c1=O
CCCn1c2ncn(CC(N)=O)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCO)c1=O
CCCn1c2ncn(CCOC)c2c(=O)n(C)c1=O
CCCn1c2ncn(CCC(N)=O)c2c(=O)n(C)c1=O
CCCCn1c2ncn(CC(C)=O)c2c(=O)n(CCCC)c1=O
CCCn1c2ncn(CCC#N)c2c(=O)n(C)c1=O
CCCn1c2ncn(CCC(O)=O)c2c(=O)n(C)c1=O
CCCn1c2ncn(CC(O)=O)c2c(=O)n(C)c1=O
CCCn1c2ncn(CCN(C)C)c2c(=O)n(C)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C12CC3CC1CC(C2)C3 |TLB:20:19:24:21.22,THB:20:21:24:18.19.25|
CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCC(=O)C1
CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3 |THB:28:27:24:30.29.31,28:29:24:27.26|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C1CCCC1
CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C(C1CC1)C1CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)c1ccc(cc1)S(F)(=O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)c(c1)[N+]([O-])=O
CCCn1c2nc(CCNC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc(CNC(=O)c3ccccc3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc(CCCCCN3C(=O)C=CC3=O)[nH]c2c(=O)n(CCC)c1=O |c:15|
CCCn1c2nc(CCCCCNC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c1=O)C1CCCC1
CCCn1c2nc(NCCCl)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccnc1Cl
CCCn1c2nc(CNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc(CNC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O
CCCn1c(=O)n(CCCOC(=O)c2cccc(c2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
CCCn1c2nc(CCCNC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N(CCCl)CCCl
Cn1c2nnn(-c3ccc(Cl)cc3N)c2c(=O)n(C)c1=O
CCCn1c2nnn(C3CCCCC3O)c2c(=O)n(CCC)c1=O
CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCCC1
Cn1c2nn(nc2c(=O)n(C)c1=O)C1CC2CCC1C2
CCCn1c2nn(nc2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
Cn1c2nn(nc2c(=O)n(C)c1=O)C1CCCCC1
CCCn1c2nnn(C3CCCCC3)c2c(=O)n(CCC)c1=O
Cn1c2nn(nc2c(=O)n(C)c1=O)C1CCCC1
Cn1c2nnn(C3CC4CCC3C4)c2c(=O)n(C)c1=O
Cn1c2nnn(C3CCCCC3O)c2c(=O)n(C)c1=O
CCCn1c2nnn(C3CCCC3)c2c(=O)n(CCC)c1=O
Cn1c2nn(nc2c(=O)n(C)c1=O)-c1ccc(Cl)cc1N
CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCCC1O
CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCC1
CCCn1c2nnn(-c3ccc(Cl)cc3N)c2c(=O)n(CCC)c1=O
Cn1c2nnn(C3CCCCC3)c2c(=O)n(C)c1=O
Cn1c2nnn(C3CCCC3)c2c(=O)n(C)c1=O
Cc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1F
Cc1ccccc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CCCn1c2[nH]c(Cc3ccccc3)nc2c(=O)n(CCC)c1=O
COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(F)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(F)cc1
CC(C)S(=O)(=O)n1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12
COc1ccc(cc1)S(=O)(=O)Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1
CC(C)Cn1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12
Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12
CCCn1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(c1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1
Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2n1S(=O)(=O)c1ccc(Cl)cc1
CS(=O)(=O)n1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12
COc1ccc(Cn2c(NS(=O)(=O)c3ccc(OC)cc3)nc3n(CC4CC4)c(=O)n(CC4CC4)c(=O)c23)cc1
COc1ccc(cc1OC1CCCC1)C1CCC(=O)N1
Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2n1Cc1ccccc1
COc1ccc(Cn2c(N=C3CCCN3C)nc3n(CC4CC4)c(=O)n(CC4CC4)c(=O)c23)cc1 |w:9.8|
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc2ccccc2c1
Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-c1ccc2ccccc2c1
Cn1c2[nH]ccc2c(=O)n(C)c1=O
Cn1c(=O)[nH]c2cc[nH]c2c1=O
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1cccc2ccccc12
CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccccc1
Cn1c(cc2c1n(C)c(=O)n(C)c2=O)-c1ccccc1
Cn1c2cc(-c3cccc4ccccc34)n(O)c2c(=O)n(C)c1=O
Cn1c2cc(\C=C\c3ccccc3)n(O)c2c(=O)n(C)c1=O
Cn1c2[nH]c(cc2c(=O)n(C)c1=O)-c1ccccc1
Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
CCCn1c2cc(-c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
Cn1ccc2n(C)c(=O)n(C)c(=O)c12
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)N(C)C
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Cn1c2cc(\C=C\c3ccccc3)[nH]c2c(=O)n(C)c1=O
Cn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccccc1
Cn1c2cc(-c3ccc4ccccc4c3)n(O)c2c(=O)n(C)c1=O
Cn1c2cc[nH]c2c(=O)n(C)c1=O
CCCn1c2ccn(C)c2c(=O)n(CCC)c1=O
Cn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O |w:6.6|
Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
CCCn1c2cc[nH]c2c(=O)n(CCC)c1=O
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
Cn1c(\C=C\c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12
CCCn1c(=O)[nH]c2cc[nH]c2c1=O
Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-c1cccc2ccccc12
Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCOCC1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCCC1
CCCn1cnc2[nH]c(=O)[nH]c(=O)c12
C=CCn1cnc2n(CC=C)c(=O)[nH]c(=O)c12
O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCC1
O=c1[nH]c2nc([nH]c2c(=O)n1CCc1ccccc1)-c1ccccc1
Cn1c(=O)[nH]c2ncn(CC#C)c2c1=O
CCCCn1cnc2[nH]c(=O)[nH]c(=O)c12
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)C1CCCCC1
Clc1cccc(Cn2c(=O)[nH]c3nc[nH]c3c2=O)c1
Cn1c2nc[nH]c2c(=O)n(CC#C)c1=O
O=c1[nH]c2nc[nH]c2c(=O)n1CCc1ccccc1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
C=CCn1c(=O)[nH]c2nc[nH]c2c1=O
Clc1cccc(Cn2c(=O)[nH]c3nc([nH]c3c2=O)-c2ccccc2)c1
Cn1cnc2[nH]c(=O)n(CC#C)c(=O)c12
CC(=O)Cn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
O=c1[nH]c2nc([nH]c2c(=O)[nH]1)-c1ccccc1
CCCn1c(=O)[nH]c2ncn(C)c2c1=O
O=c1[nH]c2nc[nH]c2c(=O)n1CC#C
Cn1c2nc([nH]c2c(=O)n(CC=C)c1=O)-c1ccccc1
Cn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccccc1
O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1ccccc1
O=c1[nH]c2nc[nH]c2c(=O)n1Cc1ccccc1
CCCN1c2nc([nH]c2C2=N[C@H](CN2C1=O)C(C)CC)C12CCC(O)(CC1)CC2 |t:10|
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@H](C)c1ccccc1
CCCC(Cc1ccccc1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O
CCCn1c2[nH]c(CC(C)c3ccccc3)nc2c(=O)n(CCC)c1=O
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C(C)c1ccccc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CCC[C@@H]1c1ccccc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1CCc2ccccc2C1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H](CC)c1ccccc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C(CO)Cc1ccccc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@H](CC)c1ccccc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C(CC)Cc1ccccc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H](C)c1ccccc1
CCCc1ccccc1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
COc1cc(OCC(=O)N2CCN(CC2)c2ccccc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1
CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)cc1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1
COc1cc(OCC(=O)N2CCc3ccccc3C2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cc1nc2n(C)c(=O)n(C)c(=O)c2n1C
CC(C)Cn1c2nc(Br)[nH]c2c(=O)n(C)c1=O
Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccc(cc1)C(F)(F)F
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(cc1)C(F)(F)F
Cn1c(\C=C\C(=O)OC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12
CCC\C=C\c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Cn1c2nc(Br)[nH]c2c(=O)n(C)c1=O
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(F)(F)F
CCCn1c2nc(-c3ccc(cc3)C(F)(F)F)n(CC=C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(C)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(F)(F)F
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCC1
CCCC=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 |w:3.2|
Cn1c(nc2n(C)c(=O)[nH]c(=O)c12)-c1ccccc1
Cn1c2nc(-c3ccccc3)n(CC=C)c2c(=O)n(CC=C)c1=O
Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccccc1
Cn1c(Br)nc2n(C)c(=O)n(C)c(=O)c12
Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCC1
Cn1c(nc2n(C)c(=O)[nH]c(=O)c12)-c1ccc(cc1)C(F)(F)F
Cn1c2nc(C=Cc3cccc(F)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1O
Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1OC
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2CCc2ccccc2)cc(OC)c1OC
Cn1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2n(C)c(=O)n(C)c(=O)c12
CCCn1c2nc(C=Cc3cc(OC)cc(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCCCCN
CCCn1c2nc(\C=C\c3cc(F)cc(F)c3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CCC)c1=O
COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCCCCNC(=O)OC(C)(C)C |w:5.4|
Cn1c(\C=C\c2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
CCCn1c2nc(\C=C\c3cccc(F)c3)n(C)c2c(=O)n(CCC)c1=O
Cn1c2nc(C=Cc3cccc(O)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
CC(=O)Nc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Cn1c2nc(C=Cc3cccc(c3)C(F)(F)F)[nH]c2c(=O)n(C)c1=O |w:6.6|
Cn1c2nc(C=Cc3cccc(c3)[N+]([O-])=O)[nH]c2c(=O)n(C)c1=O |w:6.6|
Cn1c(\C=C\c2cc(F)cc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
CCCn1c2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(C)c2c(=O)n(CCC)c1=O
Cn1c2nc(C=Cc3cccc(N)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
COc1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC |w:6.5|
CCCn1c2nc(\C=C\c3cc(OC)cc(OC)c3)n(C)c2c(=O)n(CCC)c1=O
COc1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 |w:6.5|
COc1cccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:7.6|
Cn1c(C=Cc2cccc(NC(=O)OC(C)(C)C)c2)nc2n(C)c(=O)n(C)c(=O)c12 |w:4.4|
CCCn1c2nc(C=Cc3cccc(F)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCCn1c2nc(C=Cc3ccc(OC)c(OC)c3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Cn1c2nc(C=Cc3cc(F)cc(F)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
CCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
COc1cc(OC)cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:9.8|
COc1ccccc1\C=C\c1nc2n(C)c(=O)n(C)c(=O)c2n1C
CCn1c(\C=C\c2cc(OC)c(OC)c(OC)c2)nc2n(C)c(=O)n(C)c(=O)c12
CCCn1c2nc(\C=C\c3cccc(N)c3)n(C)c2c(=O)n(CCC)c1=O
COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c(OC)c1OC
CCCn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(F)=Cc1ccccc1 |w:15.17|
COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
CCCn1c2nc(C=Cc3cc(OC)c(OC)cc3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CC)c1=O |w:7.7|
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2CC#C)cc(OC)c1OC
CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CCC)c1=O
Cn1c(\C=C\c2cccc(c2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCc1ccccc1
COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(C)c(=O)c12
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC\C=C\CN
COc1cccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1OC |w:7.6|
COc1ccccc1C=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 |w:8.8|
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC(C)=O
CCCn1c2nc(C=Cc3cc(F)cc(F)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CN(C)c1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 |w:7.6|
COc1cccc2cc(oc12)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CCOC(=O)c1sc(SC)c2c1CCCC2=O
CCOC(=O)c1sc(SC(C)C)c2c1CCCC2=O
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
Nc1nc2ccccc2n2cc(nc12)-c1ccccc1
CCOC(=O)c1sc(NN)c2c1CCCC2=O
CCOC(=O)c1sc(SCC=C)c2c1CCCC2=O
CCCN1CN(CCC)C(=O)c2[nH]c(nc12)-c1ccc(OCC(=O)NCCN)cc1
CSc1sc(C(O)=O)c2CCCC(=O)c12
CSc1sc(C(=O)NN)c2CCCC(O)c12
CCOC(=O)c1sc(SC)c2C(O)CCCc12
CCOC(=O)CSc1sc(C(=O)OCC)c2CCCC(=O)c12
CCCSc1sc(C(=O)OCC)c2CCCC(=O)c12
CCCCSc1sc(C(=O)OCC)c2CCCC(=O)c12
OC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O
COc1cc(ccc1O)-c1oc2c(OC)cc(CCCO)cc2c1C=O
CCSc1sc(C(=O)OC)c2CCCC(=O)c12
CCOC(=O)c1sc(SC)c2c1CCC\C2=N\OC
O=C1c2ccccc2-c2cc3OCOc3cc12
COc1cc2n(C)c3ccccc3c(=O)c2c(O)c1OC
COC1CC2C3(C=C1)C(C[N+]2(C)Cc1cc2OCOc2cc31)OC(C)=O |c:6,TLB:22:8:4:21.13.12,THB:20:21:4:8.9|
COc1cc2CCn3c2c(c1)c1cc2OCOc2cc1c3=O
c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
Cc1ccc(cc1)-c1cc(=O)c2c(C)c(C)c(C)cc2o1
O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1
Oc1ccc2C3c4cc(O)c(O)cc4C(=O)C3(O)COc2c1O
CCn1c2CCCC(=O)c2c2cc3OCOc3cc2c1=O
COc1cc2c3C(=O)CCCc3oc(=O)c2cc1OC
Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N
CCN(CC)CCN1CCN(CC1)C(=O)CCc1cccc(CSc2nc(N)c(C#N)c(n2)-c2ccc(NC(C)=O)cc2)n1
Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccc(OCCO)cc2)c1C#N
CC(=O)Nc1ccc(cc1)-c1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(N)c1C#N
Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccccc2)c1C#N
Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccc(O)cc2)c1C#N
Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccc(OC(F)(F)F)cc2)c1C#N
Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2coc(n2)-c2ccc(Cl)cc2)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2coc(n2)-c2ccc(F)cc2)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2coc(n2)-c2cccc(F)c2)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2csc(n2)-c2ccc(F)cc2)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2csc(n2)-c2cccc(F)c2)nc(-c2ccc3OCOc3c2)c1C#N
Cc1ccc(cc1)-c1nc(CSc2nc(N)c(C#N)c(n2)-c2ccc3OCOc3c2)cs1
COc1ccc(cc1)-c1nc(CSc2nc(N)c(C#N)c(n2)-c2ccc3OCOc3c2)cs1
Nc1nc(SCc2csc(n2)-c2ccc3OCOc3c2)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2csc(n2)-c2ccc(Br)cc2)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2csc(n2)-c2ccc(I)cc2)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2csc(n2)-c2cccc(Cl)c2)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2csc(n2)-c2ccccc2Cl)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2csc(n2)-c2ccccc2F)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2csc(n2)-c2ccc(cc2)C(F)(F)F)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2csc(n2)-c2ccc(cc2)[N+]([O-])=O)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2csc(n2)-c2ccccc2)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2csc(n2)C2CCCCC2)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2csc(n2)N2CCOCC2)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2cscn2)nc(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2c[nH]cn2)nc(-c2ccc3OCOc3c2)c1C#N
CN(C)c1ccc(cc1)-c1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(N)c1C#N
Nc1nc2n(CCO)ncc2c2nc(nn12)-c1ccco1
OCCn1ncc2c3nc(nn3c(NCc3ccccc3)nc12)-c1ccco1
CC(C)(C)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1
Nc1nc2n[nH]cc2c2nc(nn12)-c1ccco1
CCC(C)Cn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
CCCCn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
Nc1nc2n(CCOCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
CC(C)Cc1ccc(CCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
Nc1nc2n(CCN3CCOCC3)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)-c1ccccc1
CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1
Nc1nc2n(Cc3ccc(F)cc3)ncc2c2nc(nn12)-c1ccco1
Cn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
COc1ccc2oc(C#Cc3ccccc3)c(O)c(=O)c2c1
[#6]-[#8]-c1cc2oc(c(-[#6]\[#6]=[#6](\[#6])-[#6])c(=O)c2c(-[#8])c1-[#6]=[#6]-[#6](-[#6])-[#6])-c1ccc(-[#8])cc1-[#8] |w:19.20|
Clc1c(oc2ccccc2c1=O)-c1ccccc1
O=C1CC(Oc2ccccc12)c1ccccc1
C[C@H](c1ccc(C)cc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
C[C@@H](N1C(=O)C2(CCCC2)C2=C1N=C(NC2N)c1ccccc1)c1ccccc1 |c:11,14|
C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccc(Cl)cc1
COc1ccc(cc1)-c1nc(N)c2c(C)c(C)n([C@H](C)c3ccccc3)c2n1
Nc1nc(nc2n(-c3ccccc3)c3ccccc3c12)-c1ccccc1
C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccc(Cl)c1
C[C@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl
O=C1N(c2nc[nH]c(=O)c2C11CCCC1)c1ccccc1
C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccc(Cl)c(Cl)c1
C[C@H](c1ccccc1)n1c(C)c(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1
CC(c1ccccc1)n1c2ccccc2c2c(N)ncnc12
C[C@@H](c1ccccc1)n1c(C)c(C)c2c1nc([nH]c2=O)-c1ccccc1
COc1cccc(c1)-c1nc(N)c2c(C)c(C)n([C@H](C)c3ccccc3)c2n1
C[C@@H](c1ccccc1)n1c2ccccc2c2c1nc([nH]c2=O)-c1ccccc1
C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
C[C@@H](c1ccc(C)cc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
CC(N1C(=O)C2(CCCC2)c2c1nc[nH]c2=O)c1ccccc1
C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccc(Cl)c(Cl)c1
C[C@@H](Nc1ncnc2n([C@H](C)c3ccccc3)c(C)c(C)c12)c1ccccc1
O=C1Nc2nc[nH]c(=O)c2C11CCCC1
C[C@H](c1ccccc1)n1c2ccccc2c2c1nc([nH]c2=O)-c1ccccc1
C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccc(Cl)c1
C[C@H](Nc1ncnc2n([C@@H](C)c3ccccc3)c(C)c(C)c12)c1ccccc1
C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccc(Cl)cc1
C[C@@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
C[C@H](c1ccccc1)n1c(C)c(C)c2c1nc([nH]c2=O)-c1ccccc1
C[C@@H](N1C(=O)C2(CCCC2)c2c1nc([nH]c2=O)-c1ccccc1)c1ccccc1
C[C@@H](c1ccccc1)n1c(C)c(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1
C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl
CCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Clc1ccc2nc(NC(=O)c3cccc(I)c3)n3nc(nc3c2c1)-c1ccco1
Clc1ccc2nc(NC(=O)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CCOC(=O)C1C(\C=C\c2ccccc2)c2cc(C(=O)OCC)c(C)cc2N=C1c1ccccc1 |c:29|
CCCn1c2ccc(Cl)cc2c2nc(nn2c1=O)-c1ccco1
CC(C)(C)OC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CC(C)Oc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl
CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CCCCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
CC(C)C(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
CCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
CCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
CCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
CCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
CSc1nc(SC(C(C)C)C(N)=O)nc2n(ncc12)-c1ccccc1
CCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O
CCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
CCCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
CCCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
CC(C)C(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
Cc1ccc2cc(CCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)ccc2n1
COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccn2)CC1
Cc1cnc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1
CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1cccc(c1)C#N
CN(C)CCn1ncc2c3nn(Cc4cccc(Cl)c4)c(=O)n3c(N)nc12
Nc1nc2n(CCN3CCOCC3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12
COc1ccc(C2CCOCC2)c2oc(NC(=O)c3ccnc(c3)N3CCOCC3)nc12
COc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12
CC1(CCN(CC1)C(=O)Nc2nc3c(ccc(c3s2)N4CCOCC4)OC)O
c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@H]([C@@H]3CCCCN3)O
CC(C)c1nc(-c2nccs2)c2sccc2n1
Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1
Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccco3)c2n1
Cc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N
COCc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1
Nc1nnc(-c2ccccc2)c(n1)-c1ccccc1
CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
CC(C)n1cc(ccc1=O)-c1ncc(N)nc1-c1ccc(F)cc1
CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1
CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1nc(N)n2nc(nc2n1)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1
Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2CCC[C@@H]2C1 |r|
CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1ccccc1
Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1
Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(NCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc(nc2sc(CN3CCOCC3)cc12)-c1ccco1
Nc1nc(nc2sc(CN3CCCC(F)(F)C3)cc12)-c1ccco1
C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(nc2s1)-c1ccco1 |r|
COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
CC(C)(C)OC(=O)C1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC |r,wU:7.12,5.4,28.34,wD:8.8,10.11,25.27,(-2.37,-48.53,;-1.04,-49.31,;.3,-48.55,;1.62,-49.33,;1.61,-50.87,;2.93,-48.59,;2.94,-47.1,;4.43,-46.64,;5.27,-47.83,;6.72,-47.84,;4.37,-49.06,;4.85,-50.53,;4.89,-45.21,;3.96,-43.88,;4.91,-42.6,;6.23,-43.05,;7.53,-42.29,;7.52,-40.78,;8.97,-43.12,;8.97,-44.75,;7.59,-45.54,;6.24,-44.75,;10.31,-45.52,;11.64,-46.29,;12.97,-47.06,;14.3,-46.29,;15.63,-47.07,;16.96,-46.31,;16.97,-44.77,;15.64,-43.99,;14.3,-44.76,;18.31,-44,;18.32,-42.46,;19.64,-44.78,;20.98,-44.02,)|
CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12
Nc1nc(OCCc2ccc(Cl)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Fc1ccc(NC(=O)Nc2ccc(Nc3nc(nc4n(Cc5ccccc5)nnc34)-c3ccccc3)cc2)cc1
CCOC(=O)C1C(c2ccco2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:18,20|
CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)SCC)=C(N=C1C)c1ccccc1 |c:21,23|
CCOC(=O)C1=C(N=C2CCCC(=O)C2C1C#Cc1ccccc1)c1ccccc1 |t:5,7|
CCOCN1C(C)=C(C(C#Cc2ccccc2)C(C(O)=O)=C1c1ccccc1)C(=O)OCC |c:6,21|
CCOC(=O)C1C(C(C(=O)OCC)=C(N=C1C)c1ccccc1)c1ccncc1 |c:12,14|
CCOC(=O)C1C(C(C(=O)OCC)=C(N=C1C)c1ccccc1)c1cccnc1 |c:12,14|
CCNC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(=O)OCC)c1ccccc1 |t:5,7|
CCOC(O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1-c1ccccn1
CCOC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(=O)SCC)c1ccccc1 |t:5,7|
CCOC(=O)C1C(c2cc3ccccc3o2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:23,25|
CCOC(=O)C1C(C#Cc2ccccc2)C(C(O)=O)=C(N=C1C)c1ccccc1 |c:19,21|
CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
CCNC(=O)C1=C(N(COCC)C(C)=C(C1C#Cc1ccccc1)C(=O)OCC)c1ccccc1 |c:13,t:5|
CCNC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
CCOC(=O)C1C(c2cccs2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:18,20|
CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC[Si](C)(C)C)=C(N=C1C)c1ccccc1 |c:25,27|
CCOC(=O)C1C(c2cccs2)C(C(=O)OCC)=C(C)N=C1C |c:21,t:18|
CCOC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(C)=O)c1ccccc1 |t:5,7|
CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)C(F)(F)F |c:21,23|
CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC(OC)c2ccccc2)=C(N=C1C)c1ccccc1 |c:30,32|
CCO\C([O-])=C1\C(C#Cc2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24|
CCOC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1 |t:5,7|
CCOC(=O)C1C(C(C(=O)OCC)=C(N=C1C)c1ccccc1)c1ccccc1 |c:12,14|
Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3ccccc23)c1Cl
Cc1onc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3cc(F)c(F)cc23)c1C
[H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(=O)n(C)c3cc(F)c(F)cc13)N2C(=O)c1noc(C)c1C |r,TLB:25:24:6.7.8:2.3,9:7:24:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1n[nH]c3ccc(F)cc13)N2C(=O)c1cnn(C)c1Cl |r,TLB:21:20:2.3:7.6.8,9:7:20:2.3|
Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)-c1cccs1
CC(C)Cn1c2nc(-c3ccccc3)n(CC#C)c2c(=O)n(C)c1=O
CC(C)Cn1c2nc(-c3ccccc3)n(C)c2c(=O)n(C)c1=O
Cn1c(\C=C\c2cccc(Cl)c2)nc2n(Cc3ccccc3)c(=O)n(CC#C)c(=O)c12
CCCn1c(=O)n(C)c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c1=O
Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC=C)c(=O)c12
Cn1c(\C=C\c2cccs2)nc2n(C)c(=O)n(CC#C)c(=O)c12
O=c1n(Cc2ccccc2)c2nc[nH]c2c(=O)n1CC#C
Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)C1CCCCC1
CC(C)Cn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O
CC(C)Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:9.9|
Cn1c2nc(C=Cc3ccc4OCOc4c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6|
Cn1c2nc(\C=C\c3cccc(Cl)c3)n(CC#C)c2c(=O)n(CC#C)c1=O
Cn1c(\C=C\c2ccc3OCOc3c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Cn1c(\C=C\c2ccco2)nc2n(C)c(=O)n(CC#C)c(=O)c12
COc1ccc(\C=C\c2nc3n(C)c(=O)n(CC#C)c(=O)c3n2C)cc1OC
CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O
Cn1c(\C=C\c2ccsc2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6|
CCCn1c(=O)n(CCCF)c2nc([nH]c2c1=O)C1CCCC1
FCCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
CCCn1c(=O)[nH]c2nc(C3CCCC3)n(C)c2c1=O
CCCn1c(=O)n(COCC)c2nc([nH]c2c1=O)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(CC(C)F)c1=O)C1CCCC1
CCCn1c(=O)n(\C=C\CI)c2nc([nH]c2c1=O)C1CCCC1
CCCn1c(=O)n(CC(C)F)c2nc([nH]c2c1=O)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(COCC)c1=O)C1CCCC1
Clc1ccccc1Cn1nnc2c(NCC3CCCCC3)ncnc12
[O-][N+](=O)c1cccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)c1
C(Cn1nnc2c(NC3CCCC3)ncnc12)c1ccccc1
[O-][N+](=O)c1ccc(CNc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
Clc1cccc(Nc2ncnc3n(CCc4ccccc4)nnc23)c1
CC1CCCC(C1)Nc1ncnc2n(Cc3ccccc3Cl)nnc12
C(c1ccccc1)n1nnc2c(NC3CCCC3)ncnc12
Nc1ccc(CNc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
[O-][N+](=O)c1ccc(CNc2ncnc3n(Cc4ccccc4)nnc23)cc1
Clc1cccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)c1
Cc1ccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
Cc1ccc(Nc2ncnc3n(Cc4ccccc4)nnc23)cc1
CC(Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3Cl)nnc12
[O-][N+](=O)c1cccc(Nc2ncnc3n(CCc4ccccc4)nnc23)c1
Cc1cccc(Nc2ncnc3n(CCc4ccccc4)nnc23)c1
CC(Nc1ncnc2n(Cc3ccccc3Cl)nnc12)c1ccccc1
Clc1cccc(Nc2ncnc3n(Cc4ccccc4)nnc23)c1
Cc1cccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)c1
Nc1ccc(Nc2ncnc3n(CCc4ccccc4)nnc23)cc1
CC(Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3)nnc12
CC1CCCC(C1)Nc1ncnc2n(Cc3ccccc3)nnc12
C(c1ccccc1)n1nnc2c(NC3CCCCC3)ncnc12
Cc1ccc(Nc2ncnc3n(CCc4ccccc4)nnc23)cc1
CC(Cc1ccccc1)Nc1ncnc2n(CCc3ccccc3)nnc12
Cc1cccc(Nc2ncnc3n(Cc4ccccc4)nnc23)c1
Clc1ccccc1Cn1nnc2c(NC3CCCCC3)ncnc12
[O-][N+](=O)c1cccc(Nc2ncnc3n(Cc4ccccc4)nnc23)c1
Nc1ccc(Nc2ncnc3n(Cc4ccccc4)nnc23)cc1
CC(Nc1ncnc2n(CCc3ccccc3)nnc12)c1ccccc1
C(Nc1ncnc2n(Cc3ccccc3)nnc12)C1CCCCC1
Nc1ccc(CCNc2ncnc3n(Cc4ccccc4)nnc23)cc1
[O-][N+](=O)c1ccc(CCNc2ncnc3n(Cc4ccccc4)nnc23)cc1
Nc1ccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
C(Cn1nnc2c(NC3CCCCC3)ncnc12)c1ccccc1
CC(Nc1ncnc2n(Cc3ccccc3)nnc12)c1ccccc1
[O-][N+](=O)c1ccc(CCNc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
Clc1ccccc1Cn1nnc2c(NC3CCCC3)ncnc12
[O-][N+](=O)c1ccc(CNc2ncnc3n(CCc4ccccc4)nnc23)cc1
Nc1ccc(CNc2ncnc3n(Cc4ccccc4)nnc23)cc1
CC(=O)NCCc1c2scnc2c2nccc3c4ccccc4[nH]c1c23
Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1
COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1OC
Nc1nc2n(CCc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(Cc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCc3ccc(O)c(O)c3)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(Cc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1
C[C@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1
CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccc(cc2)[N+]([O-])=O)c1C#Cc1ccccc1
Clc1ccc2nc(NC(=O)\C=C\c3ccccc3)n3nc(nc3c2c1)-c1ccco1
NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CC(C)(C)OC(=O)NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
OC(=O)CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
COC(=O)CCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CC(C)(C)OC(=O)NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Clc1ccc2nc(NC(=O)CCCCC(=O)OCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
COC(=O)CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Clc1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
Clc1ccc2nc(NC(=O)Cc3ccc(I)cc3)n3nc(nc3c2c1)-c1ccco1
Clc1ccc2nc(NC(=O)CCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Clc1ccc2nc(NCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
COc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
Clc1ccc2nc(NC(=O)Cc3ccccc3I)n3nc(nc3c2c1)-c1ccco1
CC(C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)(c1ccccc1)c1ccccc1
NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1I
C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1
Clc1ccc2nc(NC(=O)Cc3cccc(I)c3)n3nc(nc3c2c1)-c1ccco1
Clc1cccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
c1ccc(cc1)-c1nc(cc2ccccc12)-c1ccccn1
CSc1nc(cc2ccccc12)-c1ccccn1
CC(C(=O)c1ccccc1)c1nc(cc2ccccc12)-c1ccccn1
O=C(N(C(=O)c1ccccc1)c1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
CS(=O)(=O)c1nc(cc2ccccc12)-c1ccccn1
O=C(Cc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
COc1nc(cc2ccccc12)-c1ccccn1
O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
CONc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](C=C)[C@@H](O)[C@H]1O
CONc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1c1ccon1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
CONc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c1ccon1
CCCOC(=O)c1c(CCC)c(C(=O)SCCF)c(CC)nc1-c1ccccc1
CCOC(=O)c1c2CCCNC(=O)c2c(CC)nc1-c1ccccc1
CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccc(F)cc1
CCCOC(=O)c1c2CCSC(=O)c2c(CC)nc1-c1ccccc1
CCCOC(=O)c1c(CCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
CCCCCCSC(=O)c1c(CC)nc(-c2cccc(Cl)c2)c(C(=O)OCCC)c1CC
CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCF)nc1-c1ccccc1
CCCOC(=O)c1c(CCC)c(C(=O)SCC2COC(C)(C)O2)c(CC)nc1-c1ccccc1
CCCOC(=O)c1c2CCOC(=O)c2c(CC)nc1-c1ccccc1
CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1cccc(F)c1
CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
CCCc1c(C(=O)SCC)c(CCSC(C)=O)nc(-c2ccccc2)c1C(=O)OCC
CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC
CCCOC(=O)c1c(CCCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1F
CCCOC(=O)c1c(CCC)c(C(=O)SCCO)c(CC)nc1-c1ccccc1
CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F
CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCO)nc1-c1ccccc1
CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)nc1-c1ccccc1
CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
CCCc1c(C(=O)OCC)c(nc2CCSC(=O)c12)-c1ccccc1
CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
CCCOC(=O)c1c(CCCF)c(C(=O)SCC)c(CC)nc1-c1ccccc1
CCOC(=O)c1c(CCCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)nc1-c1ccccc1
CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF
CCCCC\C=C/C\C=C/CCCCCCCC(=O)O
CCOC(=O)C1[C@H](C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
CCOC(=O)C1=C(N=C(C)C([C@H]1C#Cc1ccccc1)C(=O)OC[C@H]1COC(C)(C)O1)c1ccccc1 |t:5,7|
COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
CCOC(=O)C1=C(N=C(C)C([C@@H]1C#Cc1ccccc1)C(=O)OC[C@H]1COC(C)(C)O1)c1ccccc1 |t:5,7|
CCOC(=O)C1[C@@H](C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
OC(=O)CC1=C(CCCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1 |t:4|
OC(=O)CC1=C(CCCCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1 |t:4|
OC(=O)CC1=C(CCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1 |t:4|
OC(=O)CCCn1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Cc1[nH]c2nc(nc(NCCCN3CCCC3=O)c2c1C)-c1ccccc1
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12
C[C@@H](COc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CC(COc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3O)ncnc12
C[C@H](COc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Cl)nc12
Nc1sc2CN(Cc3cccc(Cl)c3)CCc2c1C(=O)c1ccccc1
Nc1sc2CCCCc2c1C(=O)c1ccc(Cl)cc1
Nc1sc2CCCCc2c1C(=O)c1ccc(I)cc1
Cc1ccc(cc1)C(=O)c1c(N)sc2CCCCc12
Nc1sc2CCCCc2c1C(=O)c1cccc(Cl)c1
Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1
Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)c1ccc(Cl)cc1
Nc1sc2CCCCc2c1C(=O)c1ccc(cc1)C(F)(F)F
Nc1sc2CCCCc2c1C(=O)c1ccc(Cl)c(Cl)c1
Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C
Nc1sc2CN(Cc3ccc(Cl)c(Cl)c3)CCc2c1C(=O)c1ccc(Cl)cc1
Nc1sc2CCCCc2c1C(=O)c1cccc(c1)C(F)(F)F
Nc1sc2CCCCc2c1C(=O)c1ccc(Br)cc1
CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C
CCC[n+]1c(CC)c(C(=O)SCC)c(CC)c(C(=O)OCC)c1-c1ccccc1
CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1
CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1C1CCCC1
OC(=O)CCCCCC#C\C=C\CCCCC#C\C=C\Br
CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Clc1cccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Clc1cccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
COc1cccc(\C=C\c2nc3n(CCO)c(=O)n(CC#C)c(=O)c3n2C)c1
Cn1c(\C=C\c2cccc(O)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
COc1cccc(\C=C\c2nc3n(C)c(=O)n(CC#C)c(=O)c3n2C)c1
COc1cccc(\C=C\c2nc3n(CCCOP([O-])([O-])=O)c(=O)n(CC#C)c(=O)c3n2C)c1
Cn1c(\C=C\c2cccc(Br)c2)nc2n(CCO)c(=O)n(CC#C)c(=O)c12
Cn1c(\C=C\c2cccc(Br)c2)nc2n(CCCO)c(=O)n(CC#C)c(=O)c12
Nc1nc2ccccc2n2c1nn(-c1ccc(Cl)cc1)c2=O
Nc1nc2ccccc2n2c1nn(-c1cccc(F)c1)c2=O
Fc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
O=c1n(nc2n1c1ccccc1[nH]c2=O)-c1ccccc1
O=c1n(nc2c(NCCc3ccccc3)nc3ccccc3n12)-c1ccccc1
O=c1n(nc2n1c1ccccc1n(CC#C)c2=O)-c1ccccc1
O=c1n(nc2c(NC3CCCCC3)nc3ccccc3n12)-c1ccccc1
CCC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Cc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n21
COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
O=c1n(nc2c(NCC(c3ccccc3)c3ccccc3)nc3ccccc3n12)-c1ccccc1
Fc1cccc(c1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Cc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Clc1ccc(cc1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
CCCn1c2ccccc2n2c(nn(-c3ccccc3)c2=O)c1=O
O=C(Cc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Cc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Cc1cccc(c1)-n1nc2c(N)nc3ccccc3n2c1=O
Nc1nc2c(NCc3ccccc3)cccc2n2c1nn(-c1ccccc1)c2=O
Cc1cccc(c1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Clc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
COc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Fc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
O=c1n(nc2c(NC3CCCC3)nc3ccccc3n12)-c1ccccc1
O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
Cc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
Cn1c2ccccc2n2c(nn(-c3ccccc3)c2=O)c1=O
COc1ccc(NC(=O)Nc2nc3ccccc3n3c2nn(-c2ccccc2)c3=O)cc1
O=c1n(nc2c(NCCCc3ccccc3)nc3ccccc3n12)-c1ccccc1
O=C(Nc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
O=c1n(nc2c(NCc3ccccc3)nc3ccccc3n12)-c1ccccc1
CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 |w:22.24,t:32|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(N)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)NC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)c2ccccc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1
CC(=O)c1ccccc1NC(=O)C=Cc1ccc(cc1)-c1nc2n(Cc3ccccc3)c(=O)n(Cc3ccccc3)c(=O)c2[nH]1 |w:12.12|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1
OC(=O)C=Cc1ccc(cc1)-c1nc2n(Cc3ccccc3)c(=O)n(Cc3ccccc3)c(=O)c2[nH]1 |w:3.2|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2C(C)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1
OC(=O)COc1ccc(cc1)-c1nc2n(Cc3ccccc3)c(=O)n(Cc3ccccc3)c(=O)c2[nH]1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
OC(=O)C=Cc1ccc(cc1)-c1nc2n(CC3CCCCC3)c(=O)n(CC3CCCCC3)c(=O)c2[nH]1 |w:3.2|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 |t:32|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(CC(=O)OCC)CC(=O)OCC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)Nc2ccccc2C(C)=O)cc1 |w:22.24|
C\C=C(/C)C(=O)O[C@@H]1CC\C(C)=C/[C@@H]2OC(=O)C(C)=C2C[C@H]2C(C)=CC(=O)[C@H](OC(C)=O)[C@]12C |r,c:11,18,24|
CCC(=O)O[C@@H]1CC\C(C)=C/[C@@H]2OC(=O)C(C)=C2C[C@H]2C(C)=C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]12C |r,c:9,16,22|
CC(=O)O[C@H]1C(=O)C=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3\C=C(C)/CC[C@@H](OC(=O)c3ccccc3)[C@@]12C |r,c:12,t:7,20|
CCC(=O)O[C@@H]1CC\C(C)=C/[C@@H]2OC(=O)C(C)=C2C[C@H]2C(C)=CC(=O)[C@H](OC(C)=O)[C@]12C |r,c:9,16,22|
CC(C)C(=O)O[C@@H]1CC\C(C)=C/[C@@H]2OC(=O)C(C)=C2C[C@H]2C(C)=CC(=O)[C@H](OC(C)=O)[C@]12C |r,c:10,17,23|
Oc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(O)c(Br)c2)N=O)cc1Br
Oc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(OS([O-])(=O)=O)c(Br)c2)N=O)cc1Br
O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccn1
O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccncc1
COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccc1
CCN(CC)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
Cc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1cccnc1
Cc1cccc(c1)-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
Cc1ccccc1-n1cc2c(n1)c(N)nc1ccccc21
COc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Clc1ccc2nc(NC3CCCCC3)c3nn(cc3c2c1)-c1ccccc1
Clc1ccc(cc1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
O=C(Nc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Clc1ccc2[nH]c(=O)c3nn(cc3c2c1)-c1ccccc1
Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Cc1ccccc1-n1cc2c(n1)c(=O)[nH]c1ccccc21
O=C(NCc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
CCCn1c2ccccc2c2cn(nc2c1=O)-c1ccccc1
Cc1ccccc1-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
Nc1nc2ccc(Cl)cc2c2cn(nc12)-c1ccccc1
Nc1nc2ccccc2c2cn(nc12)-c1ccc(Cl)cc1
O=c1[nH]c2ccccc2c2cn(nc12)-c1ccccc1
Fc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
Fc1cccc(c1)-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
Clc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
C1CCC(C1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Cc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
Fc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccc1
C(Cc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
O=C(Cc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
C1CCC(CC1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Cc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Cc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
Cc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
Cc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Nc1nc2ccccc2c2cn(nc12)-c1cccc(F)c1
COc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
Cn1c2ccccc2c2cn(nc2c1=O)-c1ccccc1
Cc1ccc(cc1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Nc1nc(nc2n(c3CCCCc3c12)-c1ccccc1)-c1ccccn1
C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1O
CC(c1ccccc1)c1nc(N)c2c(C)c(C)[nH]c2n1
C[C@@H](c1ccccc1)n1c2CCCCc2c2c(N)nc(nc12)-c1ccccn1
C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccs1
C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccncc1
Nc1nc(nc2n(c3CCCCc3c12)-c1ccccc1)-c1cccnc1
Nc1nc(nc2n(c3CCCCc3c12)-c1ccccc1)-c1ccncc1
C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cc[n+]([O-])cc1
C[C@@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccn1
CCC(CO)Nc1nc(nc2n(C3CCCC3)c(C)c(C)c12)-c1ccccc1
C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccn1
C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccco1
CCC(CO)Nc1nc(nc2n([C@H](C)c3ccccc3)c(C)c(C)c12)-c1ccc(Cl)cc1
C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cnccn1
COc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(nn23)-c2ccco2)cc1
CC(C)CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Clc1cccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)c1
Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(nn12)-c1ccco1
Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(nn12)-c1ccco1
[#6]\[#6](-[#6])=[#6]\[#6]-n1cc2c(n1)nc(-[#7])n1nc(nc21)-c1ccco1
Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
[#6]-[#8]-c1ccc(-[#7]-[#6](=O)-[#7]-c2nc3nn(-[#6]\[#6]=[#6](\[#6])-[#6])cc3c3nc(nn23)-c2ccco2)cc1
COc1ccc(NC(=O)Nc2nc3nn(cc3c3nc(nn23)-c2ccco2)C(C)(C)C)cc1
CC(C)(C)n1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Clc1cccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)c1
[#6]\[#6](-[#6])=[#6]/[#6]-n1cc2c(n1)nc(-[#7]-[#6](=O)-[#7]-c1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Clc1cccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)c1
COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)cc1
CCCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
CC(C)(C)n1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1
COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
COc1ccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)cc1
COc1ccc(NC(=O)Nc2nc3nn(CC=C)cc3c3nc(nn23)-c2ccco2)cc1
CCCN1C(=O)c2c(nc([nH]2)C3CCCCC3)N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F
CCCn1c(=O)n(CCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
CCCn1c(=O)n(CCCCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
CCCn1c(=O)n(Cc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Cn1c(nc2c(N)nc(nc12)C#CC(C)(C)O)-c1cccc(F)c1
COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 |c:4,6,10|
Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccccc1F
Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCCC1)-c1cccc(F)c1
Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(c1)C#N
Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCC1)-c1cccc(F)c1
Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccco1
Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(F)c1
CCC(O)(CC)C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1
CC(Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
C[C@@H](Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
C[C@H](Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
Cc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Brc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
CC(C)(C)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Clc1ccc(cc1Cl)C(=O)Nc1nc(cs1)-c1ccccc1
Clc1ccc(C(=O)Nc2nc(cs2)-c2ccccc2)c(Cl)c1
COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccc1
Clc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
FC(F)(F)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Clc1cccc(c1)C(=O)Nc1nc(cs1)-c1ccccc1
O=C(Nc1nc(cs1)-c1ccccc1)c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCOCC1
CCCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC(C)(C)C
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1Nc1ccccc1
CCOCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
Nc1nc2n(CCc3ccc(cc3)S(N)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCc3ccc(cc3)C#N)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCc3ccc(cc3)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C([O-])=O)C([O-])=O)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCc3cc4OCOc4cc3S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
CN1CCN(CC1)S(=O)(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Nc1nc2n(CCCc3ccc(cc3)C(=N)NO)ncc2c2nc(nn12)-c1ccco1
CCOC(=O)COc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
CCOC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C(O)=O)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCc3ccc4O[C@H](Oc4c3)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCc3ccc(cc3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
NCc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
NC(=N)c1ccc(CCCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCCl)CCCl)ncc2c2nc(nn12)-c1ccco1
CC(=O)Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)NCC(O)=O)ncc2c2nc(nn12)-c1ccco1
CCOC(=O)[C@@H]1Oc2ccc(CCCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)cc2O1
Nc1nc2n(CCCc3ccc4OC(CO)(CO)Oc4c3)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Nc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
CCCCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
COc1ccccc1NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1
CCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)C(O)=O
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(Br)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(I)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(C=CC(=O)OC)cc1 |w:19.21|
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(Br)cc1
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC)CC2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Br)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S([O-])(=O)=O
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)cc1
Brc1ccc(cc1)-c1nc2[nH]c(=O)n(CC#C)c(=O)c2[nH]1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc2cc(ccc2c1)C(O)=O
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCO)cc1
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(C)=O)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)OC)cc1
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCN)cc1
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCC)cc1
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2OC)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(C=CC(O)=O)cc1 |w:19.21|
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1(CCCCC1)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
CC(C)c1ccc(cc1)C(=O)N[C@H]1[C@@H](C)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
OC[C@H]1O[C@H](C[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12
C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1cccs1)n1cnc2c(NC3CCCC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(F)c(Cl)c1)n1cnc2c(NC3CCCC3)ncnc12
C[C@H]1O[C@H]([C@H](O)[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc2OCOc2c1)n1cnc2c(NC3CCCC3)ncnc12
C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1CCCC[C@H]1C(=O)c1cccs1)n1cnc2c(NC3CCCC3)ncnc12
Cn1cnc2c(NC3CCCC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1cccs1)n1cnc2c(NC3CCCC3)ncnc12
C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1(CCCC1)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
CC(C)c1ccc(cc1)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCOc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
CCc1ccc(cc1)C(=O)N[C@H]1[C@@H](C)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Cc1ccc(cc1F)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(C)c(C)c1)n1cnc2c(NC3CCCC3)ncnc12
Cn1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1O
CCCn1c2nc(-c3ccccc3)n(CCCl)c2c(=O)n(CCC)c1=O
Cn1c2ncn(CCCCCl)c2c(=O)n(C)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(O)c(OC)c(O)c1
Cn1c2nc[nH]c2c(=O)n(CCc2ccccc2)c1=O
Cn1c2nc[nH]c2c(=O)n(CCCc2ccccc2)c1=O
Cn1c2ncn(CCCCl)c2c(=O)n(C)c1=O
CCCCn1c(=O)n(CC)c2nc[nH]c2c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(C)=O)cc1
[NH3+]c1nc-2c(Cc3c-2cccc3OC(=O)C2CCCC2)s1
COc1cc-2c(Cc3sc([NH3+])nc-23)c(OC)c1OC
Cc1ccc2Cc3sc([NH3+])nc3-c2c1
[NH3+]c1nc-2c(CCc3ccccc-23)s1
COc1ccc-2c(Cc3sc([NH3+])nc-23)c1
[NH3+]c1nc-2c(Cc3ccccc-23)s1
CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O
CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)C(C)(C)C
CCCn1c(=O)n(Cc2ccc(OC)cc2)c2nc3ccccn3c2c1=O
CCCn1c(=O)n(C)c2nc3ccccn3c2c1=O
CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
CC(C)Cn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC#C
C=CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NOC)nc(Cl)nc12
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCCCC(O)=O)nc(Cl)nc12
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(Cl)nc12
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(=O)NCCN
CCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3[C@H]4C[C@]4([C@@H](O)[C@H]3O)C(=O)NC)c2n1
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(Cl)nc12
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Cl)nc12
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(I)nc12
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(I)nc12
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#C
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#C[Si](C)(C)C
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCCCC(=O)NCCN)nc(Cl)nc12
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCO)nc(Cl)nc12
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(SC)nc12
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CC3c3ccccc3)nc(Cl)nc12
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(O)=O
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCCCC(=O)NCCNC(C)=O)nc(Cl)nc12
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(=O)OC
Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1
CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCCC)cc1
CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1
COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12
CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)N(C)C
CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
O=C(Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1)c1ccco1
Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
CC(C)[C@@H]1CC[C@]2(C)O[C@H]2CC[C@](C)(O)\C=C\C[C@@](C)(O)\C=C\1 |r,t:16,22|
CC(C)[C@@H]1CC[C@]2(C)O[C@H]2CC[C@@](C)(O)\C=C\C[C@@](C)(O)\C=C\1 |r,t:16,22|
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
COc1cc(ccc1O)[C@H]1OC[C@](O)(Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)[C@@H]1COC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |r|
CCc1cn2c(NCC(C)=O)nc(nc2n1)-c1ccccc1
Cc1cn2c(NC3CCCC3)nc(nc2n1)-c1ccccc1
Cc1cn2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
Cc1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
CC(=O)CNc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1
CCc1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
Cc1cn2c(N)nc(nc2n1)-c1ccccc1
CCC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1
CC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1
Cc1cn2c(NC(=O)C3CCCCC3)nc(nc2n1)-c1ccccc1
CC(=O)Nc1nc(nc2nc(C)cn12)-c1ccccc1
CC(C)c1cn2c(NCC(C)=O)nc(nc2n1)-c1ccccc1
O=C(Nc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1)C1CCCC1
Cc1cn2c(NCC3CCCCC3)nc(nc2n1)-c1ccccc1
Cc1cn2c(NCc3ccccc3)nc(nc2n1)-c1ccccc1
CC(C)c1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
Cc1cn2c(NC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)nc(nc2n1)-c1ccccc1 |THB:11:10:7:12.14.13,11:12:7:10.15.9|
CC(=O)Nc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NC)ncnc12
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cccc(I)c3)ncnc12
Nc1sc(Br)c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F
CC(C)(C)Cc1c(sc(N)c1C(=O)c1ccc(Cl)cc1)C#Cc1ccccc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(C)=O)c(c4)[N+]([O-])=O)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(O)c(c4)[N+]([O-])=O)cc3)nc12 |r|
CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1
O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
CC(C)CCn1cc2c(n1)nc(NC(=O)COc1ccccc1)n1nc(nc21)-c1ccco1
O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
CCCCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@@H]1[C@@H](COC(=S)NCC=C)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@@H]1[C@@H](COC(=O)NCC=C)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
CNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@@H]1[C@@H](COC(=O)NCc2ccc(F)cc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@@H]1[C@@H](COC(=S)NC2CCCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@@H]1[C@@H](COC(=S)NC2CC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
CCCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@@H]1[C@@H](COC(=O)NCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@@H]1[C@@H](COC(=O)NC2CCCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12
CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12
O[C@@H]1[C@@H](COC(=S)NCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
CNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12
CCCCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@@H]1[C@@H](COC(=O)NC2CCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
CN(C)C(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
CC(C)NC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@@H]1[C@@H](COC(=S)NC2CCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
CCCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@@H]1[C@@H](COC(=S)NC2CCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@@H]1[C@@H](COC(=O)NC2CCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@@H]1[C@@H](COC(=O)NC2CC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
CC(C)NC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
CN(C)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
O[C@H]1[C@@H](O)C(O[C@@H]1COC(=O)NC1CCCC1)n1cnc2c(NC3CCOC3)nc(Cl)nc12
C\N=c1/nc(-c2ccccc2)n(s1)-c1cccc(C)c1
C\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
COc1ccc(cc1)-n1s\c(=N\C)nc1-c1ccccc1
CC\N=c1/nc(-c2ccc(C)cc2)n(s1)-c1ccc(C)cc1
COc1cccc(c1)-c1nnc([nH]1)-c1ccc(Cl)c(Cl)c1
Cn1nc(nc1-c1cccc(CN2CC=CC2)c1)-c1ccc(cc1)N=[N+]=[N-] |c:15|
COc1cccc(c1)-c1nnc(Cc2cccc(F)c2F)[nH]1
C(N1CCCC1)c1cccc(c1)-c1nnc([nH]1)-c1ccc2OCCOc2c1
COc1cccc(c1)-c1nnc(Cc2ccc(Cl)c(Cl)c2)[nH]1
COc1cccc(c1)-c1nnc(Cc2ccc(C)c(C)c2)[nH]1
COc1cccc(c1)-c1nnc(Cc2ccc3ccccc3c2)[nH]1
COc1cccc(c1)-c1nnc(CCc2ccc(Cl)c(Cl)c2)[nH]1
COc1cccc(c1)-c1nnc(Cc2cccc(Br)c2)[nH]1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
CCc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCC2)c2cc(nn12)-c1ccccc1
Cc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCC2)c2cc(nn12)-c1ccccc1
O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1
S=c1n(Cc2ccccc2)nc(C2CCC2)c2c3cc(nn3cnc12)-c1ccccc1
CCc1nc2c(c(nn(Cc3ccccc3)c2=S)C2CCCC2)c2cc(nn12)-c1ccccc1
S=c1n(Cc2ccccc2)nc(C2CCCC2)c2c3cc(nn3cnc12)-c1ccccc1
S=c1n(Cc2ccccc2)nc(C2CCCCC2)c2c3cc(nn3cnc12)-c1ccccc1
Cc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCC2)c2cc(nn12)-c1ccccc1
O=c1n(Cc2ccccc2)nc(C2CCC2)c2c3cc(nn3cnc12)-c1ccccc1
CCc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCC2)c2cc(nn12)-c1ccccc1
O=c1n(Cc2ccccc2)nc(C2CCCC2)c2c3cc(nn3cnc12)-c1ccccc1
CCc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCCC2)c2cc(nn12)-c1ccccc1
Cc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCCC2)c2cc(nn12)-c1ccccc1
O=c1n(Cc2ccccc2)nc(C2CCCCC2)c2c3cc(nn3cnc12)-c1ccccc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC(=O)CCC3CCCC3)nc12
Nc1nc(NC(=O)CCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NC(=O)CCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NC(=O)CCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NC(=O)\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCC3CCCC3)nc12
CCNc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCc3ccccc3)nc12
Nc1nc(NC(=O)C2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CCOC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccc(OC)cc1
CCC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccc(OC)cc1
CCCOC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccccc1
CCOC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccccc1
COC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccccc1
CCC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccccc1
CCOC(=O)N1Cc2nc(nn2-c2ccccc12)-c1ccccc1
CCC(=O)N1Cc2nc(nn2-c2ccccc12)-c1ccccc1
COc1ccc(cc1)-c1nc2cnc3ccc(C)cc3n2n1
Cc1ccc2ncc3nc(nn3c2c1)-c1ccccc1
Clc1ccc2ncc3nc(nn3c2c1)-c1ccccc1
CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Cc1ccc2c(O)cc(nc2n1)-c1ccccc1
CN(C)c1ccc2c(O)cc(nc2n1)-c1ccccc1
Cc1ccc2c(O)cc(nc2n1)-c1ccc(cc1)[N+]([O-])=O
Cc1ccc2c(NN)cc(nc2n1)-c1ccccc1
COc1ccc2c(O)cc(nc2n1)-c1ccccc1
Cc1ccc2c(O)cc(Cc3ccccc3)nc2n1
COc1cc(nc2nc(C)ccc12)-c1ccccc1
CCOC(=O)CCN1CCN(CC1)c1cc(nc2nc(C)ccc12)-c1ccccc1
Cc1ccc2c(NC3CCCCC3)cc(nc2n1)-c1ccccc1
Cc1ccc2c(cc(nc2n1)-c1ccccc1)N1CCNCC1
CCn1c(cc(=O)c2ccc(C)nc12)-c1ccccc1
Oc1cc(nc2nc(F)ccc12)-c1ccccc1
CCOc1ccc2c(n1)n(CC)c(cc2=O)-c1ccccc1
Cn1c2nc(cc(O)c2ccc1=O)-c1ccccc1
Cc1cc(O)c2ccc(N)nc2n1
CN(C)c1cc(nc2nc(C)ccc12)-c1ccccc1
Oc1cc(nc2[nH]c(=O)ccc12)-c1ccccc1
COc1cc(nc2n(C)c(=O)ccc12)-c1ccccc1
Cc1ccc2c(N)cc(nc2n1)-c1ccccc1
CCCc1cc(O)c2ccc(N)nc2n1
Oc1cc(nc2nc(Oc3ccccc3)ccc12)-c1ccccc1
CCOc1cc(nc2nc(Br)ccc12)-c1ccccc1
Cc1ccc2c(O)cc(nc2n1)-c1ccccc1F
Nc1ccc2c(O)cc(nc2n1)-c1ccccc1
Cc1ccc2c(O)cc(nc2n1)-c1cccc(N)c1
Oc1cc(nc2nc(ccc12)N1CCCCC1)-c1ccccc1
Oc1cc(nc2nc(Br)ccc12)-c1ccccc1
CCOc1ccc2c(OCC)cc(nc2n1)-c1ccccc1
CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1
Cc1ccc2c(O)cc(nc2n1)-c1ccc(F)cc1
Cc1ccc2c(N)ccnc2n1
Cc1ccc2c(Cl)cc(nc2n1)-c1ccccc1
CSc1cc(nc2nc(C)ccc12)-c1ccccc1
CCCc1cc(O)c2ccc(C)nc2n1
Cc1ccc2c(Oc3ccccc3)cc(nc2n1)-c1ccccc1
Cc1ccc2c(O)cc(nc2n1)-c1ccc(N)cc1
Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1
CCOc1cc(nc2n(CC)c(=O)ccc12)-c1ccccc1
Cc1ccc2c(O)ccnc2n1
Oc1cc(nc2nc(NC3CCCCC3)ccc12)-c1ccccc1
Oc1cc(nc2nc(ccc12)N1CCNCC1)-c1ccccc1
Cc1ccc2ccc(nc2n1)-c1ccccc1
Cc1ccc2c(O)cc(nc2n1)-c1cccc(c1)[N+]([O-])=O
CCOC(=O)CCN1CCN(CC1)c1ccc2c(O)cc(nc2n1)-c1ccccc1
Cc1ccc2c(S)cc(nc2n1)-c1ccccc1
NC(=O)Cc1ccc2c(O)cc(nc2n1)-c1ccccc1
Cc1cc(O)c2ccc(=O)[nH]c2n1
CCOc1ccc2c(O)cc(nc2n1)-c1ccccc1
Oc1cc(nc2ncccc12)-c1ccccc1
Cc1ccc2c(cc(nc2n1)-c1ccccc1)N=[N+]=[N-]
Oc1cc(nc2nc(ccc12)N1CCOCC1)-c1ccccc1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3c3ccccc3)nc(nc12)C#Cc1ccccc1 |r|
CCOC(=O)c1cnc(NCc2ccccc2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NCc2ccc(OC)cc2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(SC)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NCc2ccc(cc2)C(F)(F)F)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NCc2ccc(cc2)-c2ccccc2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NCC2CCCCC2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(nc12)-c1ccco1
COc1ccc(CNc2ncc(C(O)=O)c3nc(nn23)-c2ccco2)cc1OC
CNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(nc12)-c1ccco1
COc1ccc(CNc2ncc(C(=O)NCCc3ccccc3)c3nc(nn23)-c2ccco2)cc1OC
CNC(=O)c1cnc(N)n2nc(nc12)-c1ccco1
Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1
CCOC(=O)c1cnc(N)n2nc(nc12)-c1ccco1
CNC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(nc12)-c1ccco1
CNC(=O)c1cnc(NC(=O)NC2CCCCC2)n2nc(nc12)-c1ccco1
CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(nc12)-c1ccco1
O=C(Nc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1
O=C(NC1CCCCC1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1
O=C(Cc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1
CCOC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(nc12)-c1ccco1
CCOC(=C)c1cnc(NC(=O)NC2CCCCC2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(nc12)-c1ccco1
OC(=O)c1cnc(NC(=O)NC2CCCCC2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NC)n2nc(nc12)-c1ccco1
CCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1
CCCCCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1
CCOC(=O)c1cnc(NC(C)C)n2nc(nc12)-c1ccco1
CCCCC(CC)CNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1
CCOC(=O)c1cnc(NC2CC2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NC2CCCC2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NC(c2ccccc2)c2ccccc2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NC2CCC2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NC2CCCCCC2)n2nc(nc12)-c1ccco1
CCCC(=C)C1=CC=C(CC2CCCCCCC2)C2C=C(C=C12)C1=CC=CC1 |c:20,28,t:5,7,22,26|
CCOC(=O)c1cnc(N2CCCC2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(N2CCCCC2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NCCOC)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(N(C)C)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(N2CCOCC2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NC2CCCCC2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NN2CCOCC2)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NCC(C)C)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NOC)n2nc(nc12)-c1ccco1
CNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1
CCNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1
CCCCCNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1
CC(C)Nc1ncc(C(O)=O)c2nc(nn12)-c1ccco1
CCCCC(CC)CNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1
OC(=O)c1cnc(NC2CC2)n2nc(nc12)-c1ccco1
OC(=O)c1cnc(NC2CCCC2)n2nc(nc12)-c1ccco1
OC(=O)c1cnc(NCC2CCCCC2)n2nc(nc12)-c1ccco1
OC(=O)c1cnc(NCc2ccccc2)n2nc(nc12)-c1ccco1
Cc1ccc(CNc2ncc(C(O)=O)c3nc(nn23)-c2ccco2)cc1
COc1ccc(CNc2ncc(C(O)=O)c3nc(nn23)-c2ccco2)cc1
OC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(nc12)-c1ccco1
OC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(nc12)-c1ccco1
OC(=O)c1cnc(NCc2ccc(cc2)C(F)(F)F)n2nc(nc12)-c1ccco1
OC(=O)c1cnc(NCc2ccc(cc2)-c2ccccc2)n2nc(nc12)-c1ccco1
OC(=O)c1cnc(NC(c2ccccc2)c2ccccc2)n2nc(nc12)-c1ccco1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Cl)cc1
CCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
OC(=O)CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1
CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(Cl)cc1
COCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccccc1
CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(F)cc1
CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(Cl)cc1
CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(Br)cc1
CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
OC(=O)CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
CCCCc1nc2ccccc2c2nc(nn12)-c1ccccc1
CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccccc1
CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
CCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(C)cc1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2csnn2)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cc3ccccc3nc2Cl)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCCc2ccccc2)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cnc3ccccc3c2)CC1
Cc1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)no1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccnc2)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)ccc(F)c2F)CC1
Cc1ncc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)[nH]1
Cc1ncccc1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
COc1ccccc1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)ccc(F)c2F)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cc(F)cc2F)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)ccc(Cl)c2F)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)cccc2Cl)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cscn2)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2Cl)CC1
Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccn2)CC1
Cc1nc[nH]c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Cc1noc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccc(Cl)c2)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)c1ccccc1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCc2ccccc2)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)cncc2Cl)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccco2)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccncc2)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cc3ccccc3o2)CC1
Cc1ccc2nc(Cl)c(CN3CCN(CC3)c3nc(N)n4nc(nc4n3)-c3ccco3)cc2c1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)ccc(Cl)c2Cl)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccnc3ccccc23)CC1
Cn1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cccc2F)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cnc[nH]2)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc3ccccc3n2)CC1
Cc1ccnc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cccc2Cl)nc2nc(nn12)-c1ccco1
CN(C[C@H]1CCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1
Cc1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)no1
Nc1cc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1
Cc1cc(CN2CCC[C@@H]2CNc2cc3nc(nn3c(N)n2)-c2ccco2)no1
Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)cc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2ccccc2Cl)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2ccccc2F)nc2nc(nn12)-c1ccco1
CN(C[C@H]1CCCN1Cc1cc(C)on1)c1cc2nc(nn2c(N)n1)-c1ccco1
CN(C[C@H]1CCCN1Cc1cc(C)on1)c1cc(N)n2nc(nc2n1)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2ccncc2)nc2nc(nn12)-c1ccco1
Cc1cc(CN2CCC[C@@H]2CNc2cc(N)n3nc(nc3n2)-c2ccco2)no1
Nc1nc(NCCN2CCN(CC2)c2ccccc2)nc2nc(nn12)-c1ccco1
Nc1nc(NCCCN2CCN(CC2)c2ccc(F)cc2F)nc2nc(nn12)-c1ccco1
Nc1nc(NCCCN2CCN(CC2)c2ccccc2)nc2nc(nn12)-c1ccco1
Nc1nc(NCCN2CCN(CC2)c2ccc(F)cc2F)cc2nc(nn12)-c1ccco1
Nc1nc(NCCN2CCN(CC2)c2ccc(F)cc2F)nc2nc(nn12)-c1ccco1
Nc1nc(NCCN2CCN(CC2)c2c(F)cc(F)cc2F)cc2nc(nn12)-c1ccco1
Nc1nc(NCCCN2CCN(CC2)c2c(F)cc(F)cc2F)nc2nc(nn12)-c1ccco1
CN(CCN1CCN(CC1)c1c(F)cc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1
CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1
CN(CCN1CCN(CC1)c1ccccc1)c1nc(N)n2nc(nc2n1)-c1ccco1
Nc1nc(NCCN2CCN(CC2)c2c(F)cc(F)cc2F)nc2nc(nn12)-c1ccco1
Cc1nc(N)c2nn(cc2n1)-c1ccccc1
Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1
Nc1nc(Cc2ccccc2)nc2cn(nc12)-c1ccccc1
Nc1ncnc2cn(nc12)-c1ccccc1
CCc1nc(N)c2nn(cc2n1)-c1ccccc1
Nc1nc(Cc2ccc3OCOc3c2)nc2cn(nc12)-c1ccccc1
COc1ccccc1Cc1nc(N)c2nn(cc2n1)-c1ccccc1
COc1cccc(Cc2nc(N)c3nn(cc3n2)-c2ccccc2)c1
Nc1nc(Cc2ccccc2F)nc2cn(nc12)-c1ccccc1
Nc1nc(Cc2ccccc2Cl)nc2cn(nc12)-c1ccccc1
Nc1nc(Cc2ccccc2O)nc2cn(nc12)-c1ccccc1
Nc1nc(Cc2cccc(O)c2)nc2cn(nc12)-c1ccccc1
Nc1nc(\C=C\c2ccccc2)nc2cn(nc12)-c1ccccc1
COc1ccc(CCc2nc(N)c3nn(cc3n2)-c2ccccc2)cc1
Nc1nc(CCc2ccc(O)cc2)nc2cn(nc12)-c1ccccc1
Nc1nc(CCCc2ccccc2)nc2cn(nc12)-c1ccccc1
COc1ccccc1CCCc1nc(N)c2nn(cc2n1)-c1ccccc1
COc1cccc(CCCc2nc(N)c3nn(cc3n2)-c2ccccc2)c1
COc1ccc(CCCc2nc(N)c3nn(cc3n2)-c2ccccc2)cc1
Nc1nc(CCCc2ccccc2O)nc2cn(nc12)-c1ccccc1
Nc1nc(CCCc2cccc(O)c2)nc2cn(nc12)-c1ccccc1
Nc1nc(CCCc2ccc(O)cc2)nc2cn(nc12)-c1ccccc1
CC(C)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
CC(C)(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
CCC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1
CC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
CCC(CC)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCC1
O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CC1
CCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
CCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCCC1
O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCC1
CCCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
Clc1cccc(c1)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)c1ccccc1
O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1
CCCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
CC(C)CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCCCC1
CCCCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)c1ccccc1
CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
CC(C)(C)CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CC1
CC(C)CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
CC(C)(C)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)C1(O)CCC1
Nc1nc(cn2nc(nc12)-c1ccco1)C#CCOc1ccccc1
Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)c1ccccc1
CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1ccc(cc1)[N+]1=CC=NC1 |c:32,t:30|
Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)C1(O)CCCCC1
CC(O)(Cc1ccncc1)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)C1(O)CCCC1
CC(OC(C)(C)C)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)c1csc2ccccc12
CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1ccc(O)cc1
CC(C)C(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)C(C)C
Nc1nc(cn2nc(nc12)-c1ccco1)C#CCOc1cccnc1
Nc1nc(cn2nc(nc12)-c1ccco1)C#CCO
CC(C)CCC(C)(O)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)(c1ccccc1)C(F)(F)F
Nc1nc(cn2nc(nc12)-c1ccco1)C#CCC1CCCCC1
Nc1nc(cn2nc(nc12)-c1ccco1)C#CC1(N)CCCCC1
CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1ccncc1
CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1csc2ccccc12
CCC(O)(CC)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(F)c2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2OC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2F)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(Cl)c2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2Cl)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(OC)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(OC)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(C)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(c2)C(F)(F)F)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(cc2)C#N)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C(F)(F)F)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(OC)c2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(c2)C(F)(F)F)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C#N)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(F)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2C)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(C)c2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(F)c2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(C)cc2)cc1
CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(OC)cc3)nc2-c2ccc(C)cc2)sc2CCCCc12
CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2-c2ccc(C)cc2)sc2CCCCc12
CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)sc2CCCCc12
CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2N(C)C)sc2CCCCc12
CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2-c2ccc(C)cc2)sc2CCCCc12
CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc2CCCCc12
CCOC(=O)c1c(NC(=O)c2sc(NOC(C)=O)nc2N(C)C)sc2CCCCc12
CN(C)c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Cc1ccc(cc1)-c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Cc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C(N)=O)-c2ccc(C)cc2)cc1
Cc1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(OC)cc2)nc1N(C)C)C(=O)OC
CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1C)C(=O)OC
CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1N(C)C)C(=O)OC
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3ccc(N)c(I)c3)nc(Cl)nc12
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OCC(N)=O)nc(Cl)nc12
OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccnc3)ncnc12
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OCc3ccccc3)nc(Cl)nc12
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3c3ccccc3)ncnc12
COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(I)ccc3Cl)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc12
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(I)ccc3OC)nc(Cl)nc12
CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CCCCC1
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)c(C)n3c2c1=O
CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)Cn3c2c1=O |t:18|
CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(Cn3c2c1=O)c1ccccc1 |c:18|
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CC1
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)(C)C
CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)C(C)n3c2c1=O |t:18|
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)cn3c2c1=O
CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18|
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccccc1
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(F)cc1
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)c(C)n3c2c1=O
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(cc1)-c1ccccc1
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(OC)cc1
CCOC(=O)c1nc(N)nc2nn(CC(C)(C)C)cc12
CCOC(=O)c1nc(N)nc2nn(cc12)C(C)C
CCOC(=O)c1nc(N)nc2nn(C)cc12
NC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12
CC(C)(C)Cn1cc2c(nc(N)nc2n1)C(N)=O
CC(C)n1cc2c(nc(N)nc2n1)C(N)=O
Cn1cc2c(nc(N)nc2n1)C(N)=O
CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CCc3ccccc3)cc12
CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CC(C)(C)C)cc12
CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(cc12)C(C)C
CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(C)cc12
CCOC(=O)c1nc(nc2nn(CCc3ccccc3)cc12)N(C(=O)c1ccccc1)C(=O)c1ccccc1
CCOC(=O)c1nc(nc2nn(cc12)C(C)C)N(C(=O)c1ccccc1)C(=O)c1ccccc1
CCOC(=O)c1nc(nc2nn(C)cc12)N(C(=O)c1ccc(F)c(F)c1)C(=O)c1ccc(F)c(F)c1
CCOC(=O)c1nc(nc2nn(C)cc12)N(C(=O)c1ccc(Br)cc1)C(=O)c1ccc(Br)cc1
CCOC(=O)c1nc(nc2nn(C)cc12)N(C(=O)c1ccccc1)C(=O)c1ccccc1
CCOC(=O)c1nc(NC(=O)c2ccc(Cl)c(Cl)c2)nc2nn(CCc3ccccc3)cc12
CCOC(=O)c1nc(NC(=O)c2ccc(Br)cc2)nc2nn(CCc3ccccc3)cc12
CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(CCc3ccccc3)cc12
CCOC(=O)c1nc(NC(=O)c2ccc(cc2)C(F)(F)F)nc2nn(CCc3ccccc3)cc12
CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(CCc3ccccc3)cc12
CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(CCc3ccccc3)cc12
CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(CC(C)(C)C)cc12
CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(cc12)C(C)C
CCOC(=O)c1nc(NC(=O)c2ccc(cc2)C(F)(F)F)nc2nn(cc12)C(C)C
CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(cc12)C(C)C
CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(cc12)C(C)C
CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(C)cc12
CCOC(=O)c1nc(NC(=O)c2ccc(cc2)C(F)(F)F)nc2nn(C)cc12
CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(C)cc12
CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(C)cc12
CCOC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12
Cn1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12
CCc1ccccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
C1CCCC(CCC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12
C1CCC(CC1)Nc1nc(Sc2ccccc2)nc2nc[nH]c12
C1CC2CC1CC2Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 |TLB:7:6:3:1.0|
CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12
C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
CC(C)N(C)c1nc2c(NC3CC4CC3CC4O)ncnc2n1C |THB:17:16:13:10.11|
C1CCCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12
Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc12
C1CCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12
C(Nc1nc2ccccc2c2nn(cc12)-c1ccccc1)c1ccccc1
CCc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O
c1n(nc2c1cnc1ccccc21)-c1ccccc1
O=c1[nH]c2ccccc2c2nn(cc12)-c1ccccc1
Fc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O
Clc1ccccc1-n1cc2c(n1)c1ccccc1[nH]c2=O
COc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O
COc1nc2ccccc2c2nn(cc12)-c1ccccc1
Clc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O
S=c1[nH]c2ccccc2c2nn(cc12)-c1ccccc1
Cc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O
Cc1ccc2c(S)c(Cc3ccccc3)cnc2n1
Cc1ccc2c(O)c(cnc2n1)C(=O)NCCc1ccccc1
CC(=O)N(C(C)=O)c1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1
CC1CCC(CC1)NC(=O)c1cnc2nc(C)ccc2c1O |(7.36,-8.29,;7.36,-6.75,;6.03,-5.98,;6.03,-4.43,;7.36,-3.66,;8.69,-4.43,;8.69,-5.98,;7.35,-2.12,;6.02,-1.36,;6,.18,;4.67,-2.15,;4.7,-3.69,;3.37,-4.46,;2.03,-3.69,;.68,-4.48,;-.65,-3.71,;-1.98,-4.48,;-.65,-2.17,;.68,-1.38,;2.03,-2.15,;3.34,-1.38,;3.34,.16,)|
Cc1ccc2c(NC3CCCCC3)c(Cc3ccccc3)cnc2n1
Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccco1
Cc1ccc2c(O)c(Cc3ccccc3Cl)cnc2n1
Cc1ccc2c(O)c(cnc2n1)C(=O)NN1CCOCC1
Cc1ccc2c(NN)c(Cc3ccccc3)cnc2n1
CN1CCN(CC1)NC(=O)c1cnc2nc(C)ccc2c1O
CC(C)CCNC(=O)c1cnc2nc(C)ccc2c1O
CC(NC(=O)c1cnc2nc(C)ccc2c1O)c1ccccc1
Oc1c(cnc2nc(NCc3ccccc3)ccc12)C(=O)NCc1ccccc1
Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1
Oc1c(cnc2nc(NCCc3ccccc3)ccc12)C(=O)NCc1ccccc1
Cc1ccc2c(O)c(CC(=O)NCc3ccccc3)cnc2n1
Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(NC(=O)c2ccccc2)cc1
Cc1ccc2c(O)c(Cc3ccccc3)cnc2n1
Cc1ccc2c(N=[N+]=[N-])c(Cc3ccccc3)cnc2n1
Cc1ccc2c(O)c(cnc2n1)C(=O)NC1CCCCC1
Cc1ccc2c(O)c(CC(=O)NC3CCCCC3)cnc2n1
Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(F)cc1
CN(C)c1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
Cc1ccc2c(Cl)c(Cc3ccccc3)cnc2n1
Oc1c(cnc2nc(Cl)ccc12)C(=O)NCc1ccccc1
Oc1c(cnc2nc(Br)ccc12)C(=O)NCc1ccccc1
Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1
Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(cc1)[N+]([O-])=O
CCOC(=O)c1cnc2nc(C)ccc2c1O
Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(N)cc1
Cc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1
CC(=O)Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
OCCN(CCO)c1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
Oc1c(cnc2[nH]c(=O)ccc12)C(=O)NCc1ccccc1
COc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1
Cc1ccc2c(O)c(cnc2n1)C(=O)OCc1ccccc1
Oc1c(cnc2nc(NC3CCCCC3)ccc12)C(=O)NCc1ccccc1
Oc1c(cnc2ncccc12)C(=O)NCc1ccccc1
Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCCc1ccc(O)cc1
Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C(=O)NCCCn1ccnc1
CCCCNC(=O)c1cn2nc(nc2c(N)n1)-c1ccco1
Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C(=O)N1CCOCC1
CCN(CC)C(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)NCCc1ccc(O)cc1
Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCN(CC1)c1ccncc1
Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1
CN(Cc1ccccc1)C(=O)c1cn2nc(nc2c(N)n1)-c1ccco1
Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCCCc1ccccc1
Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCN(Cc2ccccc2)CC1
Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCN(CC1)c1ccncc1
Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C(=O)NCCc1ccc(O)cc1
Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCOCC1
CC(C)NC(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
CN(C)C(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCc1ccccc1
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r|
[H][C@@]12CC[C@]([H])(C1)[C@H](C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c1nnn(CC)n1 |r|
[H][C@@]12CC[C@]([H])(C1)[C@H](C2)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c1nnn(CC)n1 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)ncnc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)nc(Cl)nc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)nc(Cl)nc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3I)nc(Cl)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(CC(O)=O)cc3Br)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)cc3F)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cccc(F)c3F)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cc(Cl)cc(Cl)c3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)c(Cl)c3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(F)c(Cl)c3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3OC)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3C(F)(F)F)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3Cl)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3F)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cccc(c3)C(O)=O)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cccc(Cl)c3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(CC(O)=O)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)C(O)=O)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(OCCOC)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(OC)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(C)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)C(F)(F)F)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(I)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Br)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(F)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccccc1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(F)cc1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OC)cc1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCCOC)cc1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccccc2)cc1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccc(Cl)cc2)cc1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccc(F)cc2)cc1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccncc2)cc1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCCCc2ccccc2)cc1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCC(=O)OCC)cc1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CCc4ccccc4)CC3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(Cc4ccccc4)CC3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCCN3CCN(CC3)c3ccccc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3)nc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2OC)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(c2)C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(OC)cc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(OC)c2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(OC)cc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(Cl)c2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(OC)c2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C#N)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(c2)C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2OC)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2Cl)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(OC)cc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(OC)c2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(cc2)C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2Cl)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)Nc2ccccc2Cl)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(Cl)c2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(Cl)c2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2Cl)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2OC)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(C)c2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(C)cc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(F)cc1
COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCOCC1
CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC1CC1
CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCCC
COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1
CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1
CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
CCCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1cccc(F)c1
CCCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1
COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
ClC(Cn1ncc2c(NCCc3ccccc3)c(cnc12)C(=O)OCC1CC1)c1ccccc1
CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCOCC1
COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1
CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1Cl
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1cccc(Cl)c1
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1F
CCC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1cccc(Cl)c1
CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC(C)C
CCCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCC
CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1Cl
CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC(C)CC
CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1
CCC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1
Cc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OCC2CC2)cc1
CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N(C)C
Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccco1
Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccsc1
O=C(NCc1ccccc1)c1nc2n(n1)c1ccccc1[nH]c2=O
O=C(OCc1ccccc1)c1nc2n(n1)c1ccccc1[nH]c2=O
COc1ccc(cc1)-c1nc2n(n1)c1cc(Cl)ccc1[nH]c2=O
O=c1[nH]c2ccccc2n2nc(nc12)-c1ccco1
Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccoc1
O=c1[nH]c2ccccc2n2nc(nc12)-c1cccs1
Cc1ccc2n(C)c(=O)c3nc(nn3c2c1)-c1ccccc1
COc1ccc(cc1)-c1nc2c(N)nc3ccc(Cl)cc3n2n1
Nc1nc2ccc(Cl)cc2n2nc(nc12)-c1ccccc1
Cc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccccc1
CCOC(=O)c1nc2c(N)nc3ccc(Cl)cc3n2n1
O=c1[nH]c2ccccc2n2nc(nc12)-c1ccccc1
COc1ccc(cc1)-c1nc2n(n1)c1cc(C)ccc1[nH]c2=O
Cn1c2ccccc2n2nc(nc2c1=O)-c1ccccc1
Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccccc1
CCOC(=O)c1nc2n(n1)c1cc(NC(C)=O)ccc1[nH]c2=O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CCC3CC4)ncnc12
[H][C@@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O |r|
[H][C@@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)NCCCCCC(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
[H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)NCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O |r|
[H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)NCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
[H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
[H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)NCCCCCC(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O |r|
[H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O |r|
[H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
[H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)NCCCCCC(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O |r|
[H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)NCCCCCC(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC1CC1
Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC1CC1
CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12
CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCC(C)C
Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12
O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12
CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NC3CC3)nc(Cl)nc12
CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12
O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCc1cccc(Cl)c1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Clc1ccc(cc1Cl)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1
Clc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1
c1ccc(cc1)-c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Cc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1
COc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1
C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Cc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1
Clc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1
COc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1
CCCc1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Cc1ccc(cc1)-c1nc(-c2ccc(C)cc2)c2[nH]cnc2n1
CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCOc1ccccn1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1
COc1ccc(CNS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)nc1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1
CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C#N)CC1
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccc(F)cc2)CC1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2F)CC1
COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)cn1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccn1
CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1
CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccc(OC)cn1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1
CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21
COc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1
Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1
Cc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1
Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1Cl
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(OC)c2)c1
CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2ccccc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(Cl)ccc2Cl)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2OC)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(cc2)C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cn[nH]c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCCc2ccccc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(Cl)cc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(c1)-c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)c(F)c2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(C)cc2)c1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2ccccc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(OC)cc2)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2ccccc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)cc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2Cl)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCc2ccccc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C(F)(F)F)c1
CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1cnn(Cc2ccccc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
[#6]-n1cc2c(n1)nc(\[#7]=[#6](\[#7]-c1ccccc1)-[#7]-c1ccccc1)n1nc(nc21)-c1ccco1
[#6]-c1ccc(-[#7]\[#6](-[#7]-c2ccc(-[#6])cc2)=[#7]/c2nc3nn(-[#6])cc3c3nc(nn23)-c2ccco2)cc1
[#6]-[#8]-c1ccc(-[#7]\[#6](-[#7]-c2ccc(-[#8]-[#6])cc2)=[#7]/c2nc3nn(-[#6])cc3c3nc(nn23)-c2ccco2)cc1
[#6]-n1cc2c(n1)nc(\[#7]=[#6](/[#7]-c1ccc(F)cc1)-[#7]-c1ccc(F)cc1)n1nc(nc21)-c1ccco1
[#6]-n1cc2c(n1)nc(\[#7]=[#6](/[#7]-c1ccc(Cl)cc1)-[#7]-c1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
[#6]-n1cc2c(n1)nc(\[#7]=[#6](/[#7]-c1ccc(Br)cc1)-[#7]-c1ccc(Br)cc1)n1nc(nc21)-c1ccco1
[#6]-n1cc2c(n1)nc(\[#7]=[#6](/[#7]-c1ccc(cc1)C#N)-[#7]-c1ccc(cc1)C#N)n1nc(nc21)-c1ccco1
[#6]-n1cc2c(n1)nc(\[#7]=[#6](/[#7]-c1ccc(cc1)-[#7+](-[#8-])=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O)n1nc(nc21)-c1ccco1
[#6]-[#8]-c1cccc(-[#7]\[#6](-[#7]-c2cccc(-[#8]-[#6])c2)=[#7]/c2nc3nn(-[#6])cc3c3nc(nn23)-c2ccco2)c1
[#6]-n1cc2c(n1)nc(\[#7]=[#6](/[#7]-c1cccc(Cl)c1)-[#7]-c1cccc(Cl)c1)n1nc(nc21)-c1ccco1
[#6]-n1cc2c(n1)nc(\[#7]=[#6](/[#7]-c1cccc(c1)C(F)(F)F)-[#7]-c1cccc(c1)C(F)(F)F)n1nc(nc21)-c1ccco1
[#6]-n1cc2c(n1)nc(\[#7]=[#6](/[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)n1nc(nc21)-c1ccco1
[#6]-[#6](-[#6])-[#7]\[#6](-[#7]-[#6](-[#6])-[#6])=[#7]/c1nc2nn(-[#6])cc2c2nc(nn12)-c1ccco1
CCN\C(NCCCN(C)C)=N/c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Nc1cccc2c1nc(N(C(=O)c1ccccc1)C(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3ccccc3n2c1=O
O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1
COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O
COc1ccc(cc1)-n1nc2c(nc3ccccc3n2c1=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1
COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3c(N)cccc3n2c1=O
CC(=O)Nc1nc2c(N)cccc2n2c1nn(-c1ccccc1)c2=O
COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O
COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(N)cccc3n2c1=O
O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
[O-][N+](=O)c1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
CC(=O)Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=O
Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ccccc3n2c1=O
Nc1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3ccccc3n2c1=O
O=C(Nc1cccnc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
OCCn1cc2c(n1)nc(NC(=O)Nc1cccnc1)n1nc(nc21)-c1ccco1
O=C(Nc1ccncc1)Nc1nc2nn(CCCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
O=C(Nc1ccncc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
OCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
OCCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O
CCCCNS(=O)(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
CC(C)NS(=O)(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
CCCN(CCC)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CCC)c(=O)c2[nH]1
COc1cccc(c1)-c1cc(nc(NCc2ccc(F)cc2)n1)C(F)(F)F
Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccccc2)cc1
Nc1nc(cc(-c2ccccc2Cl)c1C#N)-c1ccccc1
COc1ccc(cn1)-c1cccc(c1)-c1nc(N)nc(SC)n1
Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1Cl
Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1
Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2cccs2)cc1
CCOc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1
COc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1
Nc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1ccccc1
Nc1nc(cc(-c2ccc(F)cc2)c1C#N)C1CC1
CSc1nc(N)nc(n1)-c1cccc(c1)-c1ccc2[nH]ccc2c1
CCSc1nc(N)nc(n1)-c1ccccc1
Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1
Cc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1ccccc1
Nc1nc(cc(-c2ccc(Cl)c(Cl)c2)c1C#N)-c1cccnc1
CCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
OCCCNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1
C(c1ccccc1)n1nnc2c(NC3CCC3)nc(nc12)-c1ccccc1
Clc1ccccc1Cn1nnc2c(NC3CCC3)nc(nc12)-c1ccccc1
C(c1ccccc1)n1nnc2c(NC3CC3)nc(nc12)-c1ccccc1
CC(O)CNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
OCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Clc1ccccc1Cn1nnc2c(NC3CC3)nc(nc12)-c1ccccc1
Fc1ccccc1Cn1nnc2c(NC3CC3)nc(nc12)-c1ccccc1
CC(O)CNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
OCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Fc1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1
CCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
CNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Fc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1
OCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Clc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1
OCCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
CCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Clc1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1
CCCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
CC(O)CNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1
CCCCNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1
CCCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
C(c1ccccc1)n1nnc2c(NC3CCCCC3)cc(nc12)-c1ccccc1
CCCCCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
CNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
CCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
FC(F)(F)c1ccccc1Cn1nnc2c(NC3CC3)nc(nc12)-c1ccccc1
CCCCCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
CCCCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
CNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
CCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
C(c1ccccc1)n1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1
CCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
CNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1
CCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
OCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
OCCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1
CCNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
CCNC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(cc1)C(O)=O
CNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CNC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cccn1
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
CCOC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CCNC(=O)c1cnn(c1)-c1nc(Nc2ccc3ccccc3n2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cc(cn1)C(O)=O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cc(ccn3)C(O)=O)nc(nc12)-n1cc(CO)cn1
CCOC(=O)c1ccc(CNC(=O)c2cnn(c2)-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
CNC(=O)c1cnn(c1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CCNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccn3)nc(nc12)-n1cc(CO)cn1
CNC(=O)c1cnn(c1)-c1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccccc1
CCOC(=O)c1cnn(c1)-c1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CCOC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4ccccc4n3)nc(nc12)-n1cc(CO)cn1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(F)cc1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(O)=O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cc(cn1)C(O)=O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cccn1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)C(F)(F)F)nc(nc12)-n1cc(CO)cn1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ncc4ccccc4n3)nc(nc12)-n1cc(CO)cn1
CCCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
NC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Cc1ccc(Nc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CO)cn2)cc1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cnccn3)nc(nc12)-n1cc(CO)cn1
CCOC(=O)c1cnn(c1)-c1nc(NC23CCC(CC2)C3)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CCNC(=O)c1cnn(c1)-c1nc(Nc2ccncc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccncc3)nc(nc12)-n1cc(CO)cn1
CCNC(=O)c1cnn(c1)-c1nc(Nc2ccc(C)cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCC(O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC2C[C@@H]1[C@H]1O[C@@H]21 |THB:6:17:20:22.24,23:22:20:18.17,23:24:20:18.17|
CCCCNC(=O)[C@H]1CC[C@@H](CC1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O |wU:7.6,wD:10.13,(.75,-15.2,;-.58,-15.97,;-1.91,-15.2,;-3.25,-15.97,;-4.58,-15.2,;-5.92,-15.97,;-7.25,-15.2,;-5.91,-17.51,;-4.58,-18.29,;-4.58,-19.83,;-5.91,-20.59,;-7.24,-19.83,;-7.24,-18.29,;-5.91,-22.13,;-4.67,-23.03,;-5.14,-24.5,;-6.68,-24.5,;-7.16,-23.03,;-7.45,-25.83,;-8.99,-25.83,;-9.76,-24.49,;-11.3,-24.49,;-6.68,-27.16,;-7.45,-28.5,;-5.14,-27.16,;-4.37,-28.5,;-2.83,-28.5,;-2.06,-27.16,;-4.37,-25.83,;-2.83,-25.82,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)N1CCC(CC1)C(O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCCC(O)=O)(CC1)CC2
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](COCc2ccccc2)CC1 |wU:20.22,wD:17.18,(10.39,-5.66,;11.93,-5.66,;12.7,-6.99,;14.24,-6.99,;15.01,-5.66,;14.53,-4.2,;15.78,-3.29,;17.03,-4.2,;16.55,-5.66,;17.33,-6.99,;18.87,-6.98,;16.55,-8.33,;17.32,-9.66,;18.86,-9.66,;19.63,-8.32,;15.01,-8.33,;14.24,-9.66,;15.78,-1.75,;17.11,-.99,;17.11,.55,;15.78,1.33,;15.78,2.87,;17.11,3.64,;18.44,2.87,;19.78,3.64,;21.11,2.87,;22.44,3.64,;22.44,5.18,;21.1,5.95,;19.77,5.18,;14.45,.55,;14.45,-.99,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCCN(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CO)CC1 |wU:20.22,wD:17.18,(1.8,-5.44,;3.34,-5.44,;4.11,-6.77,;5.65,-6.77,;6.41,-5.44,;5.94,-3.98,;7.18,-3.07,;8.43,-3.98,;7.96,-5.44,;8.73,-6.77,;10.27,-6.77,;7.96,-8.11,;8.73,-9.44,;10.27,-9.44,;11.04,-8.11,;6.42,-8.11,;5.65,-9.44,;7.19,-1.53,;8.51,-.77,;8.51,.77,;7.19,1.55,;7.18,3.09,;8.52,3.86,;5.86,.77,;5.86,-.77,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCC(O)=O)(CC1)CC2
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCC(=O)OC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1 |wU:20.25,wD:17.18,(-9.79,-7.52,;-8.25,-7.52,;-7.48,-8.85,;-5.94,-8.85,;-5.18,-7.52,;-5.65,-6.05,;-4.4,-5.15,;-3.16,-6.05,;-3.63,-7.52,;-2.86,-8.85,;-1.32,-8.84,;-3.63,-10.18,;-2.86,-11.52,;-1.32,-11.52,;-.55,-10.18,;-5.17,-10.19,;-5.94,-11.52,;-4.4,-3.61,;-3.07,-2.85,;-3.07,-1.31,;-4.4,-.53,;-5.73,-1.31,;-5.73,-2.85,;-4.41,1.01,;-3.07,1.79,;-3.08,3.33,;-1.74,1.02,;-.41,1.79,;.93,1.03,;.92,-.52,;2.26,-1.28,;3.59,-.51,;3.58,1.04,;2.25,1.8,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)\C=C\C(O)=O
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@]12CC[C@](CO)(CC1)CC2
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)OC
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CC3CC(CC3C1)C2 |THB:22:21:18:23.24,22:23:18:20.21.25,24:17:20:22.23,24:23:20:18.25.17|
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)C(=O)NCCN(C)C |wU:20.25,wD:17.18,(-.46,-24.38,;1.08,-24.38,;1.85,-25.71,;3.39,-25.71,;4.16,-24.38,;3.68,-22.92,;4.93,-22.01,;6.18,-22.92,;5.7,-24.38,;6.48,-25.71,;8.02,-25.7,;5.7,-27.05,;6.47,-28.38,;8.01,-28.38,;8.78,-27.05,;4.16,-27.05,;3.39,-28.38,;4.93,-20.47,;6.26,-19.71,;6.26,-18.17,;4.93,-17.39,;3.6,-18.17,;3.6,-19.71,;4.93,-15.85,;3.59,-15.08,;6.26,-15.08,;7.59,-15.85,;8.93,-15.08,;10.26,-15.85,;11.6,-15.08,;10.26,-17.39,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CC(O)=O)(CC1)CC2
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCCC(=O)OC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)N(C)CC(=O)OC
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C=O
CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2
CCCn1c2nc(nc2c2N[C@H](C)CCn2c1=O)C12CCC(O)(CC1)CC2
CCCn1c2nc(nc2c2N[C@H](CC)CCn2c1=O)C12CCC(O)(CC1)CC2
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2
CCCn1c2nc(nc2c2N[C@H](C)Cn2c1=O)C12CCC(O)(CC1)CC2
CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)(C)C)C12CCC(O)(CC1)CC2
CCCn1c2nc(nc2c2N[C@@H](CC)Cn2c1=O)C12CCC(CC1)(CC2)C(O)=O
CCCn1c2nc(nc2c2N[C@@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CC1)(CC2)C(O)=O
CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
CCCn1c2nc(nc2c2NC[C@@H](C)n2c1=O)C12CCC(O)(CC1)CC2
CCCn1c2nc(nc2c2N[C@H](Cc3ccccc3)Cn2c1=O)C12CCC(O)(CC1)CC2
CCC[C@@H]1Cn2c(N1)c1nc(nc1n(CCC)c2=O)C12CCC(O)(CC1)CC2
CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2
CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2
CCCn1c2nc(nc2c2NCCn2c1=O)C12CCC(O)(CC1)CC2
CCCn1c2nc(nc2c2N[C@H](CC(C)C)Cn2c1=O)C12CCC(O)(CC1)CC2
CCCn1c2nc(nc2c2NC[C@H](C)n2c1=O)C12CCC(O)(CC1)CC2
CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)c1ccccc1)C12CCC(O)(CC1)CC2
COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(nn1)-c1ccccn1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(Cc2ccccc2)nn1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1ccnn1 |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(Cl)c2)nn1 |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2ccccc2)nn1 |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(Cc2ccccc2)nn1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccccn1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(N=[N+]=[N-])nc12 |r|
COc1ccc(Cl)c(CNc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CC3CCCC3)nn2)c1 |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCC2)nn1 |r|
CCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(CC2CCCC2)nn1 |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(OC)c2)nn1 |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CN(C)C)nn1 |r|
CNc1nc(N=[N+]=[N-])nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCCC2)nn1 |r|
CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1ccnn1 |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CCO)nn1 |r|
CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
O=c1[nH]c2nc(cc(-c3ccccc3)c2[nH]1)-c1ccccc1
C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
CCC(CC)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
CCc1nc2nc(C)cc(C)c2[nH]1
c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
CCCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
CCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
CC(C)(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c[nH]1
COc1ncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
COc1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
N(c1cncnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
N(c1cnccn1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
N#Cc1cncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
[O-][n+]1cccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1CC1CC1
Cn1cc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)ccc1=O
COc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3N(Cc4ccccc4)CCCn3c2c(=O)n(C)c1=O
CCCn1c2nc3N(Cc4ccc(C)cc4)CCCn3c2c(=O)n(CCC)c1=O
CCCn1c2nc3N(Cc4ccccc4Cl)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(Cc4ccccn4)CCCn3c2c(=O)n(C)c1=O
COc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
COc1cccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1
CCCn1c2nc3N(Cc4ccc(Cl)cc4)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C(c1ccccc1)c1ccccc1
CCCn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(CCC)c1=O
CCCn1c2nc3N(Cc4cccc(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(Cc4ccco4)CCCn3c2c(=O)n(C)c1=O
CCCn1c2nc3N(Cc4ccc(F)cc4)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(Cc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Cc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Cn1c2nc3N(Cc4ccccc4Cl)CCCn3c2c(=O)n(C)c1=O
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnn(c4)C(C)(C)C)nn3c(N)nc12 |r|
CCn1cc(cn1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4nsnc4Cl)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4sc(C)nc4C)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnc(C)s4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ncc(C)s4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnn(C)c4)nn3c(N)nc12 |r|
COc1ccc(cc1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r|
COc1cccc(c1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r|
COc1ccccc1N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ncccn4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccncc4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccnc4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccn4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccc4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cn4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cc4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccc4F)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccc(F)c4)nn3c(N)nc12 |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N1[C@@H](Cc2ccccc12)C(N)=O |c:37|
O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
CNc1nc(Cl)nc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O |r|
O[C@@H]1[C@H](O)[C@]2(CCNC2=O)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12
CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12
CNC(=O)[C@H]1O[C@H]([C@H](OC)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
Cc1nc2sc3CCCCc3c2c2n[nH]c(=S)n12
CCc1nc2sc3CCCCc3c2c2n[nH]c(=S)n12
CCc1nc2sc(C)c(C)c2c2n[nH]c(=S)n12
COc1ccc(cc1)-n1cc2c(n1)c(NC(C)=O)nc1ccccc21
Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)C(c1ccccc1)c1ccccc1)nc1ccccc21
Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21
COc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
COc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)C(c1ccccc1)c1ccccc1
COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1cccc(C)c1
COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21
[O-][N+](=O)c1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)NCc1ccccc1)nc1ccccc21
CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccc(C)cc1
Cc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
CC1(C)CC(CC(C)(C)N1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
CC1(C)NC(C)(C)c2cc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Cn1c2nc3N(CCOC(=O)Nc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
CC(=O)OC(CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21)c1ccccc1 |w:4.4|
Cn1c2nc3N(CCOC\C=C\c4ccccc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCOCc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
CC(C(OC(C)=O)c1ccccc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |w:2.2,1.0|
Cn1c2nc3N(CCOC(=O)Nc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CC(O)c4ccccc4)CCCn3c2c(=O)n(C)c1=O |w:7.7|
Cn1c2nc3N(CCNCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCOCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
CC(C(O)c1ccccc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |w:2.2,1.0|
Cn1c2nc3N(CCc4ccccn4)CCCn3c2c(=O)n(C)c1=O
CCCn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
CCCn1c2nc3N(CCc4ccc(OC)c(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
CCCn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(CCOCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCOc4ccc(Cl)cc4Cl)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCOC(=O)Nc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCNCc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
Cc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Cn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCOC(=O)Nc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
CC(=O)Nc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCC)cc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC3CC3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC3CCC3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Br)cn2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Cl)cn2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccccn2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(C)cc2)c1C#N
COc1ccc(cc1)-c1nc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3)c2C#N)cs1
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Cl)c(Cl)c2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccccc2Cl)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2cccc(Cl)c2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(I)cc2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Br)cc2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(F)cc2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)N2CCOCC2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccccc2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2cscn2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2nc(sc2Br)-c2ccc(Cl)cc2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2nc(sc2Cl)-c2ccc(Cl)cc2)c1C#N
Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(O)cc2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Cl)cc2)c1C#N
Nc1ccc(Nc2nc(nc3n(Cc4ccccc4)nnc23)-c2ccccc2)cc1
Nc1ccc(Nc2nc(nc3n(Cc4ccccc4)cnc23)-c2ccccc2)cc1
[O-][N+](=O)c1ccc(Nc2nc(nc3n(Cc4ccccc4)cnc23)-c2ccccc2)cc1
O=C(CN1CCOCC1)Nc1cc(nc(n1)-c1ccco1)-n1cccn1
CN(C)CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1
Nc1cc(nc(n1)-c1ccco1)-n1cccn1
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
O=c1[nH]c2nc([nH]c2c(=O)n1CC1CC1)-c1cnn(Cc2ccccc2)c1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
FC(F)(F)c1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1
CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
FC(F)(F)c1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1
Clc1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Fc1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1
Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN)c2)nc(n1)-c1ccc(C)o1
COc1cc(CN(C)C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
COc1cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)ccc1CN(C)C
Cc1cc(C)n(n1)-c1cc(NC(=O)COc2ccccc2CCN2CCOCC2)nc(n1)-c1ccc(C)o1
Cc1ccc(o1)-c1nc(NC(=O)COc2ccccc2F)cc(n1)-c1nccs1
Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(Cl)c2)cc(n1)-c1nccs1
Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(c2)C#N)cc(n1)-c1nccs1
Fc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccccn2)-c2nccs2)c1
Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(C)nc(C)c2)nc(n1)-c1ccc(C)o1
Cc1ccc(o1)-c1nc(NC(=O)COc2ccc(C)cc2)cc(n1)-c1nccs1
CN(C)Cc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1
Cc1ccc(o1)-c1nc(NC(=O)CCc2ccccc2F)cc(n1)-c1nccs1
CCN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(c2)C#N)nc(n1)-c1ccc(C)o1
CN(C)Cc1cc(C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
Cc1cc(C)n(n1)-c1cc(NC(=O)COc2nc(C)cc(C)n2)nc(n1)-c1ccc(C)o1
Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(F)c2)cc(n1)-c1nccs1
COc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c(CN(C)C)c1
COc1cccc(CN(C)C)c1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
O=C(COc1cccc(c1)C#N)Nc1cc(nc(n1)-c1ccccn1)-c1nccs1
CN(C)Cc1ccccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CCN3CCOCC3)c2)nc(n1)-c1ccc(C)o1
Cc1ccc(o1)-c1nc(NC(=O)COc2ccccc2)cc(n1)-c1nccs1
Cc1ccc(o1)-c1nc(NC(=O)COc2ccc(F)cc2)cc(n1)-c1nccs1
CN(C)CCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
CCNCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
CN(C)Cc1cc(F)cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1
Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(F)c2)nc(n1)-c1ccc(C)o1
Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCCC3)c2)nc(n1)-c1ccc(C)o1
Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1
Cn1c(CCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
CCn1c(CCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
CCn1c2nc(CCCc3ccccc3)n(C)c2c(=O)n(CC)c1=O
CCn1c(CCCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Cn1c(CCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
CCn1c(CCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
CCn1c2nc(CCc3ccccc3)n(C)c2c(=O)n(CC)c1=O
CCn1c(CCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Cn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
CCn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
CCn1c2nc(COc3ccccc3)n(C)c2c(=O)n(CC)c1=O
CCn1c(COc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
O=C(NCc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
COc1ccc(cc1)-n1nc2c(NS(=O)(=O)c3ccccc3)nc3ccccc3n2c1=O
COc1ccc(cc1)-n1nc2c(NC(=O)c3ccncc3)nc3ccccc3n2c1=O
O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccncc1
O=c1n(nc2c(OCc3ccccc3)nc3ccccc3n12)-c1ccccc1
Ic1cccc(NC(=O)Nc2nc3ccccc3n3c2nn(-c2ccccc2)c3=O)c1
O=C(NC(=O)c1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
COc1ccc(cc1)-n1nc2c(NC(=O)NCc3ccccc3)nc3ccccc3n2c1=O
CS(=O)(=O)N(c1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)S(C)(=O)=O
CS(=O)(=O)Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=O
CS(=O)(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
[O-][N+](=O)c1cccc2c1nc(NS(=O)(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
O=c1n(nc2c(NS(=O)(=O)c3ccccc3)nc3ccccc3n12)-c1ccccc1
Ic1cccc(c1)C(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
COC(=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
[O-][N+](=O)c1cccc2c1nc(NC(=O)NCc1ccccc1)c1nn(-c3ccccc3)c(=O)n21
CN1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1
Nc1scc(CN2CCN(CC2)c2ncccn2)c1C(=O)c1ccc(Cl)cc1
Nc1scc(CN2CCN(CC2)c2ccccn2)c1C(=O)c1ccc(Cl)cc1
Nc1scc(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1C(=O)c1ccc(Cl)cc1
Nc1scc(CN2CCN(CC2)c2ccc(cc2)C#N)c1C(=O)c1ccc(Cl)cc1
Nc1scc(CN2CCN(CC2)c2ccc3OCOc3c2)c1C(=O)c1ccc(Cl)cc1
Cc1ccc(cc1)N1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1
Nc1scc(CN2CCN(CC2)c2ccc(Cl)cc2)c1C(=O)c1ccc(Cl)cc1
Nc1scc(CN2CCN(CC2)c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1
Nc1scc(CN2CCN(Cc3ccccc3)CC2)c1C(=O)c1ccc(Cl)cc1
Nc1scc(CN2CCN(CC2)c2ccccc2)c1C(=O)c1ccc(Cl)cc1
Nc1scc(CN2CCN(CC2)C2CCCCC2)c1C(=O)c1ccc(Cl)cc1
COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
CONC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
CON(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 |r|
CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(SC)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc12 |r|
COc1ccc(OC)c(CNc2nc(Cl)nc3n(cnc23)[C@@H]2[C@H]3C[C@H]3[C@@H](O)[C@H]2O)c1 |r|
COc1ccc(O)c(CNc2nc(Cl)nc3n(cnc23)[C@@H]2[C@H]3C[C@H]3[C@@H](O)[C@H]2O)c1 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]3c3ccccc3)nc(Cl)nc12 |r|
Nc1scc2c(nn(-c3ccccc3)c(=O)c12)C(O)=O
CCOC(=O)c1nn(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)c(=O)c2c(N)scc12
CCOC(=O)c1nn(-c2ccc(OC(C)=O)cc2)c(=O)c2c(N)scc12
CCOC(=O)c1nn(-c2ccc(cc2)[N+]([O-])=O)c(=O)c2c(N)scc12
CCOC(=O)c1nn(-c2ccc(cc2)C(F)(F)F)c(=O)c2c(N)scc12
CCOC(=O)c1nn(-c2ccc(I)cc2)c(=O)c2c(N)scc12
CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)scc12
CCOC(=O)c1nn(-c2ccc(O)cc2)c(=O)c2c(N)scc12
CCOC(=O)c1nn(-c2cccc(c2)C(F)(F)F)c(=O)c2c(N)scc12
CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c(N)scc12
CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)scc12
CCOC(=O)c1nn(-c2ccc(cc2)C(C)(C)C)c(=O)c2c(N)scc12
Cc1c(sc(N)c1C(N)=O)C(=O)Nc1ccccc1
Cc1sc(N)c(C(=O)c2cccs2)c1C
COc1ccc(cc1)-n1nc(C(O)=O)c2csc(N)c2c1=O
O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 |r|
CNc1ncnc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O |r|
CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
CCCn1c(=O)n(C)c2c(O)c([nH]c2c1=O)-c1ccc(cc1)S(C)(=O)=O
CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(C)(=O)=O
CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
CCCn1c2cc(-c3ccccc3)n(O)c2c(=O)n(CCC)c1=O
CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Cc1ccc(o1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
CC(=O)Cn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
Cc1cn2c(nc3n(Cc4ccccc4)c(=O)[nH]c(=O)c23)[nH]1
Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CCO)c(=O)c23)[nH]1
Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CCCO)c(=O)c23)[nH]1
Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CC=C)c(=O)c23)[nH]1
Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CC#C)c(=O)c23)[nH]1
CCOC(=O)Cn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
CN(C)CCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
CC(CO)n1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21
CCn1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21
CCCn1c(=O)n(Cc2ccccc2)c2nc3n(CC)c(C)cn3c2c1=O
CCCn1c2nc3[nH]c(cn3c2c(=O)n(CCC)c1=O)-c1ccccc1
CC(C)Cn1c2nc3[nH]c(cn3c2c(=O)n(CC(C)C)c1=O)-c1ccccc1
Cn1c2nc3[nH]c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)[nH]1
CCCn1c(=O)n(Cc2ccncc2)c2nc3[nH]c(C)cn3c2c1=O
CCCn1c(=O)n(Cc2cccnc2)c2nc3[nH]c(C)cn3c2c1=O
CCCn1c(=O)n(Cc2ccccn2)c2nc3[nH]c(C)cn3c2c1=O
CCN(CC)CCOc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1ccc(cc1OCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1cc(ccc1OCCN1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1cc(ccc1OCCN1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1cc(ccc1OCCN1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CCN(CC)CCOc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1cc(ccc1OCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1ccc(cc1OCCN1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1ccc(cc1OCCN1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CN(C)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CCN(CC)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCCCC2)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCOCC2)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCCC2)c1
O=C(c1sc(NCc2cccs2)nc1-c1ccco1)c1ccccc1
CN(Cc1ccco1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
O=C(c1sc(NCCc2ccc3OCOc3c2)nc1-c1ccco1)c1ccccc1
CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
Fc1ccccc1CN1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
COC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
O=C(c1sc(NCCCc2ccccc2)nc1-c1ccco1)c1ccccc1
COCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
CN(Cc1ccccc1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
CN(C)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
O=C(c1sc(nc1-c1ccco1)N(Cc1ccco1)Cc1ccccc1)c1ccccc1
CN(CCc1cccs1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
O=C(c1sc(nc1-c1ccco1)N(CCc1cccs1)Cc1ccccc1)c1ccccc1
O=C(c1sc(NCCc2cccs2)nc1-c1ccco1)c1ccccc1
Fc1ccc(CNc2nc(-c3ccco3)c(s2)C(=O)c2ccccc2)cc1F
CC(=O)N1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
CC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
O=C(c1sc(NCc2ccco2)nc1-c1ccco1)c1ccccc1
CC(=O)NCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
Nc1nc(-c2ccco2)c2nnn(Cc3ccc4nn[nH]c4c3)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ncc4c3)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1
CC(=O)Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1
CNc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1
Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(O)c3)c2n1
CC(C)c1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N
CCc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N
Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(F)c3)c2n1
Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c(F)c1
NCc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1
Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1
Nc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3N)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3ccsc3)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3cccs3)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3ccco3)c2n1
Nc1nc(-c2cncs2)c2nnn(Cc3ccccc3F)c2n1
Nc1nc(-c2c[nH]nn2)c2nnn(Cc3ccccc3F)c2n1
Nc1nc(-c2cccs2)c2nnn(Cc3ccccc3F)c2n1
Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1
Cc1cnc(s1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12
Cc1csc(n1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12
Nc1nc(-c2nccs2)c2nnn(Cc3ccccc3F)c2n1
Nc1nc(-c2cc[nH]n2)c2nnn(Cc3ccccc3F)c2n1
Cc1ccc(o1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12
Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3F)c2n1
Nc1nc(-c2ccco2)c2[nH]nnc2n1
Nc1nc(-c2ccco2)c2cc[nH]c2n1
Nc1nc(-c2ccco2)c2[nH]cnc2n1
Nc1nc(-c2ccco2)c2c[nH]nc2n1
Nc1nc(-c2ccco2)c2nnn(Cc3cnccn3)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3cccnc3)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3ccccn3)c2n1
CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
CC(C)NC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
NC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C(O)=O)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3cccc(O)c3)c2n1
COC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
Nc1nc(-c2ccco2)c2nnn(Cc3ccc(cc3)[N+]([O-])=O)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)[N+]([O-])=O)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3[N+]([O-])=O)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3ccc(cc3)C#N)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C#N)c2n1
COc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
COc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1
Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C(F)(F)F)c2n1
Cc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
Cc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1
Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3c(F)cccc3F)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3cc(F)ccc3F)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)cc3F)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3cccc(F)c3F)c2n1
Nc1nc(-c2ccco2)c2nnn(CC3CCCCC3)c2n1
Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1
COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccc(C)o1 |r|
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@@H]1COc1ccccn1 |r|
CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@@H]1COC |r|
COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccccn1 |r|
COC[C@H]1CCCN1c1cc(NC(=O)CC(C)C)nc(n1)-n1nc(C)cc1C |r|
COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccccn1 |r|
COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1nccs1 |r|
COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1cccs1 |r|
COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccc(C)o1 |r|
CCCC1CCN(C1)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
COCC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCc2ccccc2C1
COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1cccs1 |r|
COC[C@H]1C[C@@H](CN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C)OC |r|
COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1nccs1 |r|
COC[C@H]1C[C@H](CN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C)OC |r|
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCC1=O
COC[C@H]1CCCN1c1cc(NC(=O)OC)nc(n1)-n1nc(C)cc1C |r|
CC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
COC[C@H]1CCCN1c1cc(NC(=O)NC(C)C)nc(n1)-n1nc(C)cc1C |r|
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@H]1CO |r|
COC[C@@H]1CCC(C)N1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
COC[C@H]1CCCN1c1cc(N)nc(n1)-n1nc(C)cc1C |r|
COC(=O)[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCCC1
CCOCC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
CCN(CC)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
COCC[C@@H]1CCCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCC1
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCOCC1
CN1CCN(CC1)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@H]1COc1ccccn1 |r|
COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O
COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2ccccc2)c1=O
COc1cc(OC)cc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O
COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(F)c2)c1=O
COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(C)c2)c1=O
COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(OC(F)(F)F)c2)c1=O
COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(c2)C#N)c1=O
COc1cccc(Cn2c3nc(NC4CC4)ncc3n(Cc3ccccc3OC)c2=O)c1
COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2)c1=O
COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2F)c1=O
COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2Cl)c1=O
COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2F)c1=O
COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2OC)c1=O
COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(-c2ccccc2OC)c1=O |(5.47,-48.53,;4.7,-47.2,;3.16,-47.19,;2.39,-48.52,;.86,-48.51,;.1,-47.18,;.88,-45.86,;2.4,-45.87,;.12,-44.53,;-1.35,-44.06,;-2.68,-44.82,;-4.01,-44.05,;-5.34,-44.83,;-6.67,-44.06,;-7.45,-42.72,;-8.22,-44.05,;-4.01,-42.51,;-2.68,-41.74,;-1.35,-42.51,;.12,-42.04,;.84,-40.68,;.03,-39.38,;.74,-38.02,;2.29,-37.96,;3.11,-39.27,;2.38,-40.63,;3.2,-41.94,;4.73,-41.89,;1.03,-43.28,;2.57,-43.28,)|
CNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1
CCNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1
COc1cccc(c1)-n1c2nc(NC(C)C)ncc2n(Cc2c(F)cccc2F)c1=O
COc1cccc(c1)-n1c2nc(NCc3ccccc3)ncc2n(Cc2c(F)cccc2F)c1=O
COCCNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1
COc1cccc(c1)-n1c2nc(NC3CCCC3)ncc2n(Cc2c(F)cccc2F)c1=O
COc1cccc(c1)-n1c2nc(NCC3CC3)ncc2n(Cc2c(F)cccc2F)c1=O
COc1cccc(c1)-n1c2nc(NCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O
COc1cccc(c1)-n1c2nc(NCc3ccncc3)ncc2n(Cc2c(F)cccc2F)c1=O
COc1cccc(c1)-n1c2nc(NCc3cccnc3)ncc2n(Cc2c(F)cccc2F)c1=O
COc1cccc(c1)-n1c2nc(NCCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O
COc1cccc(c1)-n1c2nc(Nc3cccnc3)ncc2n(Cc2c(F)cccc2F)c1=O
COc1cccc(c1)-n1c2nc(NCCN3CCOCC3)ncc2n(Cc2c(F)cccc2F)c1=O
COc1cccc(c1)-n1c2nc(NCCN(C)C)ncc2n(Cc2c(F)cccc2F)c1=O
COc1cccc(c1)-n1c2nc(NCCc3cccs3)ncc2n(Cc2c(F)cccc2F)c1=O
Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CC1
O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CCC1
O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CCCC1
O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CCCCC1
O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1cccs1
O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccco1
O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccoc1
O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccccc1
Fc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Fc1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Clc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Clc1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Clc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Ic1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
COc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
COc1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Cc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
FC(F)(F)c1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
FC(F)(F)c1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
FC(F)(F)c1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
CCOc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
COc1ccc(Cl)cc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
[O-][N+](=O)c1cc(Cl)ccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
[O-][N+](=O)c1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Nc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Nc1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Nc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
CC(C)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1
CNc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1
Fc1ccc(CNc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)c1ccccc1
C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
O=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1
O=C(Cc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1
CC(C)Nc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
CNc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
O=C(Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1)c1ccccc1
O=C(Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1)c1ccccc1
CC(C)Nc1nc(NC(=O)c2ccccc2)n2nc(nc2n1)-c1ccco1
CNc1nc(NC(=O)c2ccccc2)n2nc(nc2n1)-c1ccco1
O=C(Nc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1
O=C(Nc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1
CC(C)Nc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
CNc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1
Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1
CC(C)Nc1nc(N)n2nc(nc2n1)-c1ccco1
CNc1nc(N)n2nc(nc2n1)-c1ccco1
Fc1ccc(CNc2nc(NCc3ccc(F)cc3)n3nc(nc3n2)-c2ccco2)cc1
Fc1ccc(CNc2nc(NCc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
Fc1ccc(CNc2nc(NC3CCCCC3)nc3nc(nn23)-c2ccco2)cc1
CNc1nc(NCc2ccc(F)cc2)n2nc(nc2n1)-c1ccco1
C(Nc1nc(NCc2ccccc2)n2nc(nc2n1)-c1ccco1)c1ccccc1
CC(C)Nc1nc(NCc2ccccc2)n2nc(nc2n1)-c1ccco1
CNc1nc(NCc2ccccc2)n2nc(nc2n1)-c1ccco1
C(Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1)c1ccccc1
C1CCC(CC1)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1
O=C(N(C(=O)c1ccco1)c1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccco1
O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1cccnc1
O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1cccs1
O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccco1
Cc1nc(N)c2nn(nc2n1)-c1ccccc1
Nc1nc(Cc2cccs2)nc2cn(nc12)-c1ccccc1
Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Nc1nc(nc2cn(Cc3ccccc3)nc12)-c1ccccc1
COc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O
O=c1n(nc2n1c1cccnc1[nH]c2=O)-c1ccccc1
Fc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O
Oc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O
Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O
COc1ccc(cc1)-n1nc2c(N)nc3ncccc3n2c1=O
Nc1nc2ncccc2n2c1nn(-c1ccc(F)cc1)c2=O
Nc1nc2ncccc2n2c1nn(-c1ccc(O)cc1)c2=O
O=c1n(nc2c(NC3CCCCC3)nc3ncccc3n12)-c1ccccc1
O=c1n(nc2c(NC3CCCC3)nc3ncccc3n12)-c1ccccc1
CC(=O)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O
O=C(Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
O=C(Cc1ccccc1)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O
COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ncccc3n2c1=O
O=C(N(C(=O)c1ccccc1)c1nc2ncccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
Nc1cc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1
Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1
Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(F)c2n1
Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1
Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)ccc2n1
Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Cl)c2n1
Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Br)c2n1
Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(I)c2n1
Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(c2n1)C(F)(F)F
CSc1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12
CS(=O)(=O)c1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12
Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(C#N)c2n1
COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12
Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(OC(F)(F)F)c2n1
Cn1nccc1-c1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12
Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(-c3cncnc3)c2n1
Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(Cl)cc(Cl)c2n1
Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)c(F)cc2n1
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21|
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:14:15:19.18:21|
C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 |r|
C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:15:16:20.19:22|
C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:15:16:20.19:22|
O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 |r|
C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:22:23:27.26:29|
C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:22:23:27.26:29|
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:15:16:20.19:22|
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:15:16:20.19:22|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:14:15:19.18:21|
Nc1nc(C(=O)NCc2ccccc2)c2cccc(F)c2n1
Nc1nc(C(=O)NCC2CCCCC2)c2cccc(F)c2n1
Cc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)c1
Cc1ccccc1CNC(=O)c1nc(N)nc2c(F)cccc12
Nc1nc(C(=O)NCCc2ccccn2)c2cccc(F)c2n1
Nc1nc(C(=O)NCCc2ccccc2)c2cccc(F)c2n1
C[C@@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12 |r|
C[C@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12 |r|
Nc1nc(C(=O)NCc2cccc3ccccc23)c2cccc(F)c2n1
Nc1nc(C(=O)NCc2cccc3CCCNc23)c2cccc(F)c2n1
Nc1nc(C(=O)NCc2cccc3OCCOc23)c2cccc(F)c2n1
Nc1nc(C(=O)NCc2cccc3NCCOc23)c2cccc(F)c2n1
Nc1nc(C(=O)NCc2cccc3[nH]cnc23)c2cccc(F)c2n1
CCn1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12
Nc1nc(C(=O)NCc2cccc3cc[nH]c23)c2cccc(F)c2n1
Nc1nc(C(=O)NCc2cccc3CNC(=O)c23)c2cccc(F)c2n1
Nc1nc(C(=O)NCc2ccnc3ccccc23)c2cccc(F)c2n1
Nc1nc(C(=O)NCc2cncc3ccccc23)c2cccc(F)c2n1
Nc1nc(C(=O)NCc2nccc3ccccc23)c2cccc(F)c2n1
Nc1nc(C(=O)NCc2ccc3ccccc3n2)c2cccc(F)c2n1
COc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12
CCOc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12
CCCCOc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12
Nc1nc(C(=O)NCc2cccc3c(ccnc23)C(=O)N2CCN(CC2)c2ccccc2)c2cccc(F)c2n1
CN(CCCc1ccccn1)C(=O)c1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc2c1
Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)NCCCCCc2ccccc2)c2cccc(F)c2n1
Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)N2CCCc3ccccc23)c2cccc(F)c2n1
COCCOc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc2c1
Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)N2CCN(CC2)c2ccccn2)c2cccc(F)c2n1
CN(C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1)c1ccccc1
CC(C)N(C(C)C)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
CCN(CC)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
CN(C)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCCC2)c1)-c1ccccc1
Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1
CN1CCN(CC1)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCCCC2)c1)-c1ccccc1
Nc1nc(cc(n1)-c1cccc(OC(=O)N(c2ccccc2)c2ccccc2)c1)-c1ccccc1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccsc2)cc1
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)S(=O)(=O)c3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Oc3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(O)C3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCN(CC3)c3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Sc3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)ncnc12
COC[C@@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CC1CCCC(C)N1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3c3ccccc3)nc(Cl)nc12
CCCOc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CN1CCN(CC1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CSc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
COC[C@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)nc(I)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(=CC3)c3ccccc3)nc(Cl)nc12 |c:19|
Nc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCCC3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)c3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Oc3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Br)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(F)nc12
Nc1nc2n(CCc3ccccc3)nnc2c2nc(nn12)-c1ccco1
Nc1nc2n(Cc3ccccc3)nnc2c2nc(nn12)-c1ccco1
Nc1nc2n(Cc3ccc(F)cc3)nnc2c2nc(nn12)-c1ccco1
Nc1nc2n(Cc3ccccc3F)nnc2c2nc(nn12)-c1ccco1
Nc1nc2n(Cc3cccc(F)c3)nnc2c2nc(nn12)-c1ccco1
Nc1nc2nn(Cc3ccc(F)cc3)nc2c2nc(nn12)-c1ccco1
CC(C)CCn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
CCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
O[C@@H]1CCC[C@H]1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSc2ccccc2F)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)ncnc12 |r,TLB:22:17:24:21.23.20,22:21:24:18.17.16,THB:16:15:18.17.22:20,16:17:15.24.23:20,14:15:18.17.22:20|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)ncnc12 |r,TLB:25:20:27:24.26.23,25:24:27:21.20.19,THB:19:18:21.20.25:23,19:20:18.27.26:23,17:18:21.20.25:23|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CC5CC(CC(O)(C5)C3)C4)ncnc12 |r,TLB:25:24:21:18.28.19,17:18:21.20.26:23,THB:27:18:21:26.24.23,27:24:21:18.28.19,19:18:21.20.26:23,19:20:18.28.27:23,17:18:21:26.24.23|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CC5CC(C4)CC3C5)ncnc12 |r,wU:7.12,5.4,wD:8.8,10.11,TLB:24:23:19.20.18:27,17:18:22.23.25:27,THB:18:19:22:25.26.27,18:26:22:19.20.24,24:19:22.23.25:27,(15.69,-2.49,;14.45,-2.59,;13.56,-1.31,;12.01,-1.44,;11.48,-2.57,;11.12,-.17,;9.56,-.13,;9.14,1.36,;10.39,2.25,;10.41,3.49,;11.63,1.31,;12.82,1.66,;7.63,1.76,;7.09,3.19,;5.53,3.12,;5.13,1.62,;3.73,.92,;2.42,1.78,;1.02,1.07,;1.12,-.36,;-.4,-.89,;-1.87,-.71,;-2.28,-2.13,;-1.05,-1.34,;.37,-1.61,;-1.05,.45,;-.29,1.71,;-2.05,.73,;3.65,-.65,;4.96,-1.49,;6.37,-.78,;6.43,.78,)|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3O)ncnc12 |r|
Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C
Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
CCNC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1
CCNC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1
NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1
NC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1
C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(cc3)/C=C/C(=O)O)O
CCCSc1nc(SC(CC)C(N)=O)nc2n(ncc12)-c1ccccc1
CCCn1c2nc(\C=C\c3ccc(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(\C=C\c3ccc(OC)c(C)c3C)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(\C=C\c3cc(C)c(OC)cc3C)n(C)c2c(=O)n(CCC)c1=O
CCn1c2nc(\C=C\c3ccc(OC)c(C)c3OC)n(C)c2c(=O)n(CC)c1=O
CCn1c2nc(\C=C\c3ccc(OC)cc3OC)n(C)c2c(=O)n(CC)c1=O
Cn1cnc2c1n(C)c(=O)n(C)c2=O
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(OC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(C)nc(nc12)C#Cc1ccc(F)c(F)c1)C(=O)NC |r|
COc1ccccc1Cn1cc2nc(nc(N)c2n1)-c1ccco1
Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3)cc2n1
COc1ccccc1Cn1cc2nc(nc(N)c2n1)-c1ccc(C)o1
COc1cccc(Cn2cc3nc(nc(N)c3n2)-c2ccc(C)o2)c1
Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3F)cc2n1
Cc1ccc(o1)-c1nc(N)c2nn(Cc3cccc(F)c3)cc2n1
Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3Cl)cc2n1
Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3O)cc2n1
Cc1ccc(o1)-c1nc(N)c2nn(Cc3cccc(O)c3)cc2n1
Nc1nc(nc2cn(Cc3ccccc3O)nc12)-c1ccco1
Nc1nc(nc2cn(nc12)-c1ccccc1O)-c1cccs1
Cc1ccc(o1)-c1nc(N)c2nn(cc2n1)-c1ccccc1
Nc1nc(nc2cn(nc12)-c1ccccc1O)-c1ccco1
Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccco1
Nc1nc(Cc2ccccc2)nc2cn(nc12)-c1ccccc1O
COc1ccccc1-n1cc2nc(Cc3ccccc3)nc(N)c2n1
Nc1nc(CCCc2ccccc2)nc2cn(nc12)-c1ccccc1O
COc1ccccc1-n1cc2nc(CCCc3ccccc3)nc(N)c2n1
Cc1nc(N)c2nn(cc2n1)-c1ccccc1F
CC1(C)N([O])C(C)(C)c2cc(ccc12)C(=O)NCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |^1:4|
CC1(C)N([O])C(C)(C)c2cc(ccc12)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |^1:4|
CC1(C)CC(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(C)(C)N1[O] |w:4.4,^1:29|
CC1(C)N([O])C(C)(C)c2cc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 |^1:4|
CC1(C)CC(CC(C)(C)N1[O])Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |^1:10|
COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Nc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1O
Nc1nc(NC(=O)c2ccccc2)c(c(n1)-c1ccco1)[N+]([O-])=O
Nc1nc(NC(=O)c2ccncc2)c(c(n1)-c1ccco1)[N+]([O-])=O
Nc1nc(NC(=O)c2ccccc2F)c(c(n1)-c1ccco1)[N+]([O-])=O
COc1ccccc1C(=O)Nc1nc(N)nc(-c2ccco2)c1[N+]([O-])=O
Nc1nc(NC(=O)c2ccccc2OC(F)(F)F)c(c(n1)-c1ccco1)[N+]([O-])=O
Nc1nc(NC(=O)c2cccnc2)c(c(n1)-c1ccco1)[N+]([O-])=O
COc1ccccc1CC(=O)Nc1nc(N)nc(-c2ccco2)c1[N+]([O-])=O
Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1
Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1F
Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(F)c1
Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccc(F)cc1
Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl
Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(Cl)c1
Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccc(Cl)cc1
Cc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1
Cc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1
Cc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1
COc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1
COc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1
COc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1
Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccnc1
Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccncc1
Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccco1
Nc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1
Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(CO)n1
O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 |r|
O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1
CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(C)C)cc1
CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1
CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCC2)cc1
CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
CCN(CC)CCOc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
CCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CC)c1=O
CCCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCCC)c1=O
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1ccc(O)cc1
CCN(CC)CCOc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1
Cn1c2nc3CN(CCc4ccc(OCCN5CCCCC5)cc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccc(OCCN5CCOCC5)cc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccc(O)cc4)CCn3c2c(=O)n(C)c1=O
CN(C)CCOc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1
CCCCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CCCC)c1=O
CCCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CCC)c1=O
CCCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCCC)c1=O
CCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCC)c1=O
CCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCC)c1=O
CCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CC)c1=O
Cn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCc4ccc(OCCN5CCCC5)cc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCc4ccc(OCCN5CCCCC5)cc4)CCCn3c2c(=O)n(C)c1=O
CN(C)CCOc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCOCC2)cc1
CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCOCC2)cc1
CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(O)cc1
CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN(C)C)cc1
CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN(CC)CC)cc1
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1ccc(OCCN(C)C)cc1
CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(O)cc1
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1ccc(OCCN2CCCCC2)cc1
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1ccc(OCCN2CCOCC2)cc1
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1ccc(OCCN2CCCC2)cc1
CN(C)CCOc1ccc(cc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
CCN(CC)CCOc1ccc(cc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
C1CCN(C1)c1ncnc2sc(Nc3ccccc3)nc12
OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccccc3)nc12 |r|
Clc1ccc(Nc2nc3c(ncnc3s2)N2CCCC2)cc1
OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccc(Cl)cc3)nc12 |r|
COc1ccc(Nc2nc3c(ncnc3s2)N2CCC[C@H]2CO)cc1 |r|
Cc1ccc(Nc2nc3c(ncnc3s2)N2CCCC2)cc1
Cc1ccc(Nc2nc3c(ncnc3s2)N2CCC[C@H]2CO)cc1 |r|
[O-][N+](=O)c1ccc(Nc2nc3c(ncnc3s2)N2CCCC2)cc1
Fc1cccc(F)c1Nc1nc2c(ncnc2s1)N1CCCC1
Fc1cccc(F)c1Nc1nc2c(Cl)ncnc2s1
Clc1ncnc2sc(Nc3cccc(Br)c3)nc12
COc1cc(Nc2nc3c(Cl)ncnc3s2)cc(OC)c1OC
Cc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
[O-][N+](=O)c1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Clc1ncnc2sc(nc12)N(Cc1ccccc1)C(=S)NCc1ccccc1
Clc1ncnc2sc(NCCN3CCOCC3)nc12
CCCOc1cnc2c(c1)[nH]c1c2n(CCC)c(=O)n(CCC)c1=O
CCCOc1cncc2[nH]c3c(n(CCC)c(=O)n(CCC)c3=O)c12
CCCn1c2c3ncccc3[nH]c2c(=O)n(CCC)c1=O
CCCn1c2c3ccncc3[nH]c2c(=O)n(CCC)c1=O
Cn1c2c3ncccc3[nH]c2c(=O)n(C)c1=O
Cn1c2c3ccncc3[nH]c2c(=O)n(C)c1=O
Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2cccc(O)c2)c1C#N
COc1cc(Nc2nc3c(ncnc3s2)N2CCCC2)cc(OC)c1OC
CN(C)c1ncnc2sc(Nc3ccccc3)nc12
OC[C@@H]1CCCN1c1ncnc2sc(Nc3c(F)cccc3F)nc12 |r|
Brc1cccc(Nc2nc3c(ncnc3s2)N2CCCC2)c1
OC[C@@H]1CCCN1c1ncnc2sc(Nc3cccc(Br)c3)nc12 |r|
COc1cc(Nc2nc3c(ncnc3s2)N2CCC[C@H]2CO)cc(OC)c1OC |r|
CN1CCN(CC1)c1ncnc2sc(Nc3ccccc3)nc12
C1CN(CCN1)c1ncnc2sc(Nc3ccccc3)nc12
CCN(CC)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12
CN(C)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12
CCN1CCN(CC1)c1ncnc2sc(Nc3ccccc3)nc12
C1CCN(CC1)C1CCN(CC1)c1ncnc2sc(Nc3ccccc3)nc12
Clc1ccc(Nc2nc3c(ncnc3s2)N2CCOCC2)cc1
Clc1ccc(Nc2nc3c(ncnc3s2)N2CCCCC2)cc1
CN1CCN(CC1)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12
Clc1ncnc2sc(NC(=O)c3ccccc3)nc12
C1CN(CCO1)c1ncnc2sc(Nc3ccccc3)nc12
C1CCN(CC1)c1ncnc2sc(Nc3ccccc3)nc12
CCN(CC)c1ncnc2sc(Nc3ccccc3)nc12
Clc1ncnc2sc(Nc3ccccc3)nc12
COc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Clc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](CC)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@@H](C(C)C)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C3CC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCCC |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(Cl)nc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)ncnc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)NCCNC(C)=O |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@@H](C3CC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(CC)CC)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@@H](CC)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCC |r|
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCN1CCNCC1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CC1)C(=O)NCC[C@H]1CCCN1C |r|
c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F
CCOc1cc(cc(c1)-c1cccc(c1)-c1cc(NC(=O)Nc2c(Cl)cncc2Cl)c(=O)n(CC)n1)C(=O)NC1CC1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCN(C)C
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(CC(=O)NCCCCCCCN(C)CCO)c1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1ccc(CC(=O)NCCN2CCCCC2)cc1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(CC(O)=O)c1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)C(O)=O
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cncc(O)c1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NCCN1CCCCC1)C(=O)NCCO
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CC1)C(=O)NCCN1CCCCC1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)OC)C(=O)NCCCN(C)C
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CC1)C(=O)NC1CC1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCCCCCCN(C)CCO
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CC1)C#N
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NC1CC1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1ccc(CC(O)=O)cc1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCN1CCOCC1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)NC1CC1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1ccc(CC(=O)NCCCCCCCN(C)CCO)cc1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCC1CCCN1C
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(O)c1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CC1)C(=O)NCCN1CCOCC1
CCNC(=O)c1cc(cc(c1)-c1cccc(c1)-c1cc(NC(=O)Nc2c(Cl)cncc2Cl)c(=O)n(CC)n1)C(=O)NCCCN(C)C
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(OCC2CC2)cc(c1)C(=O)NCCN1CCCCC1
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCN1CCCCC1
Cn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
CC(C)CCn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Cc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Cc1ccsc1)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Cc1ccsc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1
CCCCn1cc2c(n1)nc(NC(=O)Cc1ccsc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)COc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
Clc1cccc(CC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc(F)cc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Cc1ccc(F)cc1)n1nc(nc21)-c1ccco1
CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1c(Cl)cccc1Cl)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Cc1c(Cl)cccc1Cl)n1nc(nc21)-c1ccco1
Fc1ccc(CC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
O=C(Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1
O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Clc1cccc(CC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
Clc1ccc(CC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Clc1ccc(OCC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Clc1cccc(Cl)c1CC(=O)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
CCCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Cc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
COc1ccc(CC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1
O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
O=C(Cc1cccs1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
O=C(Cc1ccsc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1
CCn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1
CCn1c2nc(COc3ccc(Br)cc3)n(C)c2c(=O)n(CC)c1=O
CCn1c2nc(COc3ccc(OC)cc3)n(C)c2c(=O)n(CC)c1=O
Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cc1ccc(OCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
CCn1c2nc(COc3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
CCn1c2ncn(C)c2c(=O)n(CC)c1=O
Cn1c(COc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
COc1ccc(OCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
CCn1c2nc(COc3ccc(F)cc3)n(C)c2c(=O)n(CC)c1=O
CCn1c2nc(COc3ccc(C)cc3)n(C)c2c(=O)n(CC)c1=O
Cn1c(COc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccc(cc1)C(C)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc2ncnc(NC3CCCC3)c2[nH]1 |r|
C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(OC)cc1 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(OC)cc1 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r|
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(=O)OC |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCC(=O)NCCN |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(F)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(=O)NCCN |r|
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Nc1nc(SC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(SCC=C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(SCC#C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(SC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(SCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(SCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(SCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(SCCC2OCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(SCCC2COCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(SCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CN1CCc2c(C1)sc(N)c2C(=O)NCc1cccc(Cl)c1
CCOC(=O)c1c(N)sc2CN(CCc12)C(=O)OC(C)(C)C
Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)NCc1ccccc1
CC(C)(C)OC(=O)N1CCc2c(C1)sc(N)c2C(O)=O
CN1CCc2c(C1)sc(N)c2C(=O)NCc1ccccc1
CCOC(=O)c1c(N)sc2CNCCc12
CN1CCc2c(C1)sc(N)c2C(O)=O
CN1CCc2c(C1)sc(N)c2C(=O)NNc1ccccc1
CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12
CCOC(=O)c1c(N)sc2CN(CCc12)C(=O)[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)OC(C)(C)C |r|
NC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12
CN1CCc2c(C1)sc(N)c2C(N)=O
CN1CCc2c(C1)sc(N)c2C#N
CC(C)(C)OC(=O)N1CCc2c(C1)sc(N)c2C#N
NNC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12
Nc1sc2CN(Cc3ccccc3)CCc2c1C(O)=O
CCOC(=O)c1c(N)sc2CN(CCc12)C(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C |r|
Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)NNc1ccccc1
CCOC(=O)c1c(N)sc2CN(CCc12)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
CN1CCc2c(C1)sc(N)c2C(=O)NN
Nc1sc2CN(Cc3ccccc3)CCc2c1C#N
Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)NCc1cccc(c1)C(F)(F)F
CCOC(=O)c1c(N)sc2CN(C)CCc12
Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)NCc1cccc(Cl)c1
CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 |r|
CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCC1 |r|
CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 |r|
O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC1CC1 |r|
O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CCC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 |r|
CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCCC1 |r|
O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Cc1cccc(CNC(=O)[C@H]2S[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NCc4cccc(I)c4)ncnc23)c1 |r|
OCCNc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
Nc1ncc(-c2ccc(O)c(O)c2)c(n1)-c1ccccc1
Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1
Nc1ncc(-c2ccc(F)cc2)c(n1)-c1ccccc1
OCCCNc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
Nc1ncc(-c2cccc(c2)C(F)(F)F)c(n1)-c1ccccc1
O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.81,-7.65,;24.48,-8.43,;23.14,-7.67,;21.81,-8.45,;21.83,-9.99,;23.17,-10.75,;24.49,-9.97,;20.5,-10.77,;20.51,-12.31,;21.85,-13.07,;21.86,-14.61,;20.53,-15.39,;20.54,-16.93,;21.88,-17.69,;21.9,-19.23,;20.57,-20.01,;20.58,-21.55,;19.24,-19.25,;17.9,-20.04,;19.22,-17.71,;19.2,-14.63,;19.19,-13.09,;17.87,-15.42,;16.52,-14.65,;15.2,-15.43,;15.21,-16.97,;16.55,-17.73,;17.88,-16.96,)|
O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(45,-31.97,;43.68,-32.75,;42.34,-31.99,;41.01,-32.77,;41.02,-34.31,;42.36,-35.07,;43.69,-34.29,;39.69,-35.09,;39.7,-36.63,;41.05,-37.39,;41.05,-38.93,;39.72,-39.71,;39.73,-41.25,;41.07,-42.01,;41.08,-43.55,;39.76,-44.33,;38.41,-43.57,;37.08,-44.35,;38.4,-42.03,;38.38,-38.95,;38.37,-37.41,;37.05,-39.73,;35.71,-38.97,;34.39,-39.75,;34.4,-41.29,;35.74,-42.05,;37.07,-41.27,)|
Clc1cccc(c1)-c1cnc(NC2CCCC2)nc1-c1ccccc1
Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1
Nc1ncc(-c2ccc(O)cc2)c(n1)-c1ccccc1
Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1
Nc1ncc(-c2ccncc2)c(n1)-c1ccccc1
Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
Cc1cccc(c1)-c1cnc(N)nc1-c1ccccc1
O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.3,-7.48,;23.97,-8.25,;22.62,-7.49,;21.3,-8.28,;21.31,-9.82,;22.65,-10.57,;23.98,-9.79,;19.99,-10.6,;20,-12.14,;21.34,-12.9,;21.35,-14.44,;20.02,-15.22,;20.03,-16.76,;18.7,-17.54,;18.72,-19.08,;20.06,-19.83,;20.07,-21.37,;21.4,-22.13,;22.73,-21.35,;22.72,-19.82,;21.39,-19.06,;21.37,-17.52,;18.68,-14.46,;18.67,-12.92,;17.35,-15.24,;16.01,-14.48,;14.68,-15.26,;14.69,-16.8,;16.04,-17.56,;17.36,-16.78,)|
Nc1ncc(-c2cccc(O)c2)c(n1)-c1ccccc1
COc1ccc(cc1OC)-c1cnc(N)nc1-c1ccccc1
OCCCCNc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
CCCC(=O)Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
COc1ccc(cc1Cl)-c1cnc(N)nc1-c1ccccc1
Nc1ncc(-c2ccc(Cl)c(Cl)c2)c(n1)-c1ccccc1
O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(24.41,-7.47,;23.08,-8.25,;21.74,-7.49,;20.41,-8.27,;20.43,-9.81,;21.77,-10.57,;23.09,-9.79,;19.1,-10.59,;19.11,-12.13,;20.45,-12.9,;20.46,-14.44,;19.13,-15.21,;19.14,-16.75,;17.82,-17.53,;17.84,-19.07,;19.17,-19.83,;20.5,-19.06,;20.48,-17.52,;21.84,-19.81,;22.62,-21.13,;23.38,-19.79,;17.8,-14.45,;17.79,-12.91,;16.47,-15.24,;15.12,-14.48,;13.8,-15.25,;13.81,-16.79,;15.15,-17.56,;16.48,-16.78,)|
COc1cccc(c1)-c1cnc(N)nc1-c1ccccc1
Nc1nc(NCCc2ccc(O)cc2)nc2sc(nc12)-c1ccco1
Nc1nc(NCCc2ccc(O)c(O)c2)nc2sc(nc12)-c1ccco1
COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)c1
Nc1nc(NCc2cccc(F)c2)nc2sc(nc12)-c1ccco1
COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
COc1cccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)c1
COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1OC
Nc1nc(NCCCc2ccccc2)nc2sc(nc12)-c1ccco1
COc1ccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
CCCNc1nc(N)c2nc(sc2n1)-c1ccco1
CCCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Nc1nc(Nc2ccccc2)nc2sc(nc12)-c1ccco1
Nc1nc(NCCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Nc1nc(NCc2ccccc2)nc2sc(nc12)-c1ccco1
Nc1nc(NCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccco1
Nc1nc(NCCc2ccccc2)nc2sc(nc12)-c1ccco1
Cn1c2ncn(CCOCCOCCOCCOCCCCCCCCCC=C)c2c(=O)n(C)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1OCC(N)=O
Cc1cnn(c1)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 |r|
CCc1cnn(c1)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 |r|
CCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cnc[nH]3)nc12 |r|
CCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(C)cn3)nc12 |r|
CCC(CC)Nc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@H](NC(=O)CC)[C@@H](O)[C@H]1O |r|
CCC(CC)Nc1nc(NCCc2cn(cn2)C(C)C)nc2n(cnc12)[C@@H]1C[C@H](NC(=O)CC)[C@@H](O)[C@H]1O |r|
CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CC5)[C@@H](O)[C@H]4O)c3n2)c1 |r|
CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(CC)cn1 |r|
CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(CO)cn1 |r|
CCCCC#Cc1nc(N)c2ncn([C@@H]3C[C@H](NC(=O)CC)[C@@H](O)[C@H]3O)c2n1 |r|
CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CCC5)[C@@H](O)[C@H]4O)c3n2)c1 |r|
CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1ccco1
O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccco1)C1CC1
O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1
Brc1ccc(NC(=O)C2CC2)nc1-c1ccco1
O=C(Nc1ccc(C#N)c(n1)-c1ccco1)C1CC1
Clc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1
Fc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1
Cc1ccc(o1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
O=C(Nc1ccc(-c2ccncc2)c(n1)-c1nccs1)C1CC1
O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1
O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ncco1)C1CC1
O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cnco1)C1CC1
Fc1ccccc1-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1cccc(F)c1
Fc1ccc(cc1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1
O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1
O=c1[nH]c2nc(-c3ccco3)c(cc2c(=O)[nH]1)-c1ccncn1
c1coc(c1)-c1nc2[nH]ccc2cc1-c1ccncn1
O=c1[nH][nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1
c1coc(c1)-c1nc2nc[nH]c2cc1-c1ccncn1
c1coc(c1)-c1nc2[nH]ncc2cc1-c1ccncn1
Nc1n[nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1
Cn1c2cc(-c3ccncn3)c(nc2[nH]c1=O)-c1ccco1
O=c1[nH]c2cc(-c3ccncn3)c(nc2[nH]1)-c1ccco1
Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
CSc1nc(N)n2nc(nc2n1)-c1ccco1
CN(C)c1nc(N)n2nc(nc2n1)-c1ccco1
CSc1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
CSc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
COc1ccc(CC(=O)Nc2nc(SC)nc3nc(nn23)-c2ccco2)cc1
CCCCCC(=O)Nc1nc(SC)nc2nc(nn12)-c1ccco1
CSc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
CSc1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
CCCCCC(=O)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
CN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
COc1ccc(CC(=O)Nc2nc(nc3nc(nn23)-c2ccco2)N(C)C)cc1
CCCCCC(=O)Nc1nc(nc2nc(nn12)-c1ccco1)N(C)C
CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
CN(C)c1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
O=C(Cc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccccc1
Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(F)cc1
Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Cl)cc1
Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Br)cc1
COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N)n2n1
Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O
CCn1ncc2c1nc(N)n1nc(nc21)-c1ccc(Cl)cc1
CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Cl)cc1
Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1
Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(F)cc1
Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccc(Cl)cc1
Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Cl)cc1
Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Br)cc1
COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(N)n2n1
Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccccc1
Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(F)cc1
Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Br)cc1
COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)c3ccccc3)n2n1
Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O
COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n2n1
Cn1cc2c(n1)nc(N(C(=O)c1ccccc1)C(=O)c1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1)c1ccccc1
Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1
Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccccc1
Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(F)cc1
Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1
COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)Cc3ccccc3)n2n1
Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O
Nc1sc2CN(CCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Nc1sc2CN(CCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Nc1sc2CN(CCCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Nc1sc2CN(CCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Nc1sc2CN(CCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Nc1sc2CN(CCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Nc1sc2CN(CCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Nc1sc2CN(CCCCCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1
Nc1sc2CN(CCCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1
Nc1sc2CN(CCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1
Fc1ccc(Cc2nc3sc4CCCCc4c3c(=O)n2CC#C)cc1
Cc1sc2nc(C)n(CC#C)c(=O)c2c1C
Cc1sc2nc(Cc3ccc(F)cc3)n(CC#C)c(=O)c2c1C
Cc1nc2sc3CCCc3c2c(=O)n1CC#C
O=c1n(CC#C)c(nc2sc3CCCc3c12)-c1ccccc1
CN(C)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
CCN(CC)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
CCN(CC)CCNC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)NCCN1CCOCC1
CN(C1CCN(C)CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
CC(C)N1CCC(CC1)NC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)N1CCNCC1
CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
CCN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
CCN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
CC(C)N1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
CC(C)N(CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1)C(C)C
Nc1nc2-c3cc(OCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
Nc1nc2-c3cc(OCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(OCCN4C5CCC4CC5)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
CN(C)CCN(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Nc1nc2-c3cc(NCCc4ccncc4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(NCCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(NCCN4CCS(=O)(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1
CCN1CCC(CC1)Nc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
CCN1CCC(CC1)N(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)N1CCOCC1
CN1CCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
CCN1CCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)N1CCN(CC2CC2)CC1
CN1CCCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
CC(C)N(CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1)C(C)C
Nc1nc2-c3cc(OCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccc(F)cc1
CC1CCC(C)N1Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
Nc1nc2-c3cc(CNCc4ccco4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(CNCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(CNN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(CNN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
CN1CCN(CC1)NCc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
CN1CCN(CC1)NCc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
Nc1nc2-c3cc(CNN4CCCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(CNN4CCC(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(CNN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(CNN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(CNN4CCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
CN(C)CCN(C)Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(Cl)o1
CN(C)CCN(C)c1ccc(o1)-c1nc(N)nc2-c3ccccc3C(=O)c12
Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1cccs1
Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1nccs1
Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccncc1
Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(Cl)cc1
COc1cccc(c1)-c1nc(N)nc2-c3ccccc3C(=O)c12
COc1ccccc1-c1nc(N)nc2-c3ccccc3C(=O)c12
CN(C)CCN(C)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
CCN(CC)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
Nc1nc2-c3c(cccc3CN3CCCCC3)C(=O)c2c(n1)-c1ccccc1
CN1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1
CC(=O)N1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1
Nc1nc2-c3c(cccc3CN3CCCCCC3)C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccc(F)cc1
Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1cccc(c1)C#N
CC1(C)N(O)C(C)(C)c2cc(NC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 |r,c:14|
CC1(C)NC(C)(C)c2cc(NC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 |r,c:13|
CC1(C)N(O)C(C)(C)c2cc(CNC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 |r,c:15|
CC1(C)CC(CC(C)(C)N1O)NC1NC=Nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,c:15|
CC1(C)CC(CC(C)(C)N1)NC1NC=Nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,c:14|
CC(C)(C)c1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(c1O)C(C)(C)C |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4c(c3)C(C)(C)N(O)C4(C)C)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4c(c3)C(C)(C)NC4(C)C)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc4c(c3)C(C)(C)N(O)C4(C)C)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC(C)(C)N(O)C(C)(C)C3)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC(C)(C)NC(C)(C)C3)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC(C)(C)N(O)C3(C)C)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4ccc5c(c4)C(C)(C)N(O)C5(C)C)cc3)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(CNC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(CNC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(CNC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(NC(=O)CCC(=O)NCCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 |r|
CCCCn1c2ncn([C@@H]3[C@H]4C[C@@]4(CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O
CCCCn1c2ncn([C@@H]3[C@H]4C[C@]4([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCC)c1=O
CCn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cn[nH]c1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1cccnc1
Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1
CC(C)Cn1c(Br)nc2c(N)ncnc12
Nc1ncnc2n(CCO)c(Br)nc12
[#6]-[#6]-[#8]-c1cccc2c(-[#6])nc(\[#7]=[#6](/[#7])-[#7])nc12
COc1ccc2c(C)nc(Nc3nc(O)c[nH]3)nc2c1
CC(=O)NCCNc1nc(nc2[nH]c(cc12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1
CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
CCOCc1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Cc1nc(no1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Cc1nc(no1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1
CC(C)CC(=O)Nc1nc(c(s1)-c1noc(C)n1)-c1ccccc1
Cc1nc(no1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1
O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)c1ccco1
O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)C1CC1
CC(C)CC(=O)Nc1nc(c(s1)-c1ncon1)-c1ccccc1
O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)c1ccccc1
O=C(Cc1ccccc1)Nc1nc(c(s1)-c1ncon1)-c1ccccc1
Cc1noc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1
Cc1noc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1
CC(C)CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1
Cc1noc(n1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Cc1noc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1
CCn1nnc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
CCn1nnc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1
CCn1nnc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1
CCn1nnc(n1)-c1sc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1-c1ccccc1
CCCC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(cc2)C(C)=O)c(c1)C(O)=O
COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(C)cc2)c(c1)C(O)=O
COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(C)c(C)c2)c(c1)C(O)=O
COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(F)cc2)c(c1)C(O)=O
COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(F)c(F)c2)c(c1)C(O)=O
COc1ccc(cc1)-c1c(C)nn(c1Nc1ccc(OC)cc1C(O)=O)-c1ccccc1C
COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(OC)c(OC)c2)c(c1)C(O)=O
COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3OCOc3c2)c(c1)C(O)=O
COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3OCCOc3c2)c(c1)C(O)=O
COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3nccnc3c2)c(c1)C(O)=O
Cc1nn(c(Nc2ccc(Cl)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C
Cc1nn(c(Nc2ccc(C)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C
Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C
COc1ccc(Nc2c(c(C)nn2-c2ccccc2)-c2ccc3nccnc3c2)c(c1)C(O)=O
COc1ccc(Nc2c(c(C)nn2C2CCCCC2)-c2ccc3nccnc3c2)c(c1)C(O)=O
COc1ccc(Nc2c(c(C)nn2-c2ccccc2Cl)-c2ccc3nccnc3c2)c(c1)C(O)=O
CCc1ccccc1-n1nc(C)c(c1Nc1ccc(OC)cc1C(O)=O)-c1ccc2nccnc2c1
Cc1ccccc1-n1nc(c(c1Nc1ccccc1C(O)=O)-c1ccc2nccnc2c1)C(F)(F)F
CCc1nn(c(Nc2ccccc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C
Cc1ccccc1-n1ncc(c1Nc1ccccc1C(O)=O)-c1ccc2nccnc2c1
Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1cc(F)c2nccnc2c1)-c1ccccc1C
O=c1n(Cc2ccccc2)nc(-c2ccccc2)c2c3cc(nn3cnc12)-c1ccccc1
Cc1nc2c(c(Cl)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
CCc1nc2c(c(C)nn(C(C)c3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
CC(c1ccccc1)n1nc(C)c2c3cc(nn3c(C)nc2c1=O)-c1ccccc1
Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
CC(c1ccccc1)n1nc(C)c2c3cc(nn3cnc2c1=O)-c1ccccc1
Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1
Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1
O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1
Cc1nc2c(c(nn(Cc3ccccc3)c2=S)-c2ccncc2)c2cc(nn12)-c1ccccc1
CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccnc2)c2cc(nn12)-c1ccccc1
Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccnc2)c2cc(nn12)-c1ccccc1
CC(C)c1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
O=c1n(Cc2ccccc2)nc(-c2ccncc2)c2c3cc(nn3cnc12)-c1ccccc1
Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccc(F)c2)c2cc(nn12)-c1ccccc1
CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccccc2)c2cc(nn12)-c1ccccc1
CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccccc2)c2cc(nn12)-c1ccccc1
Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccccc2)c2cc(nn12)-c1ccccc1
Fc1cccc(c1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1
Fc1cccc(c1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1
Fc1ccc(cc1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1
Fc1ccc(cc1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 |r|
CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O
COCCCNC(=O)COc1ccc2n(C)c(=O)c(c(CCc3ccccc3)c2c1)-c1ccc(F)cc1F |(10.42,.74,;11.75,-.03,;13.09,.74,;14.42,-.03,;15.75,.74,;17.09,-.03,;18.42,.74,;18.42,2.28,;19.75,-.03,;21.09,.74,;22.42,-.03,;22.42,-1.58,;23.75,-2.35,;25.08,-1.58,;26.42,-2.35,;26.42,-3.89,;27.77,-1.58,;29.1,-2.36,;27.77,-.03,;26.43,.76,;26.43,2.3,;25.09,3.07,;25.09,4.61,;26.42,5.37,;26.43,6.91,;25.09,7.69,;23.75,6.9,;23.76,5.36,;25.08,-.02,;23.75,.74,;29.1,.73,;30.44,-.04,;31.77,.72,;31.78,2.26,;33.11,3.03,;30.43,3.04,;29.11,2.27,;27.77,3.04,)|
COCCCNC(=O)COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)-c1ccc(F)cc1F |(-11.59,-10.43,;-10.25,-11.2,;-8.92,-10.43,;-7.58,-11.2,;-6.25,-10.43,;-4.92,-11.2,;-3.58,-10.43,;-3.58,-8.89,;-2.25,-11.2,;-.92,-10.43,;.42,-11.2,;.42,-12.74,;1.75,-13.52,;3.08,-12.75,;4.42,-13.52,;5.77,-12.75,;7.1,-13.53,;5.77,-11.2,;4.42,-10.41,;4.42,-8.87,;3.09,-8.1,;3.09,-6.56,;4.42,-5.8,;4.42,-4.26,;3.09,-3.49,;1.75,-4.27,;1.76,-5.8,;3.08,-11.19,;1.75,-10.43,;7.1,-10.44,;8.43,-11.21,;9.77,-10.45,;9.77,-8.9,;11.11,-8.14,;8.43,-8.13,;7.1,-8.9,;5.77,-8.13,)|
Cn1c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc2c(CCc2ccccc2)c(c1=O)S(C)(=O)=O
COCCCNC(=O)COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)S(C)(=O)=O
Cn1c2ccc(OCC(=O)NCc3ccccc3)cc2c(CCc2ccccc2)c(c1=O)S(C)(=O)=O
Cn1c2ccc(OCC(=O)NCc3ccccc3)cc2c(CCc2ccccc2)c(-c2ccc(F)cc2F)c1=O |(4.58,-37.42,;4.58,-35.88,;3.24,-35.1,;1.91,-35.87,;.58,-35.1,;.58,-33.55,;-.75,-32.78,;-2.09,-33.55,;-3.42,-32.78,;-3.42,-31.24,;-4.75,-33.55,;-6.09,-32.78,;-7.42,-33.56,;-8.75,-32.78,;-10.09,-33.55,;-10.09,-35.09,;-8.74,-35.86,;-7.42,-35.09,;1.91,-32.78,;3.24,-33.55,;4.59,-32.77,;4.59,-31.23,;3.25,-30.46,;3.25,-28.92,;4.58,-28.15,;4.59,-26.62,;3.25,-25.84,;1.91,-26.62,;1.92,-28.16,;5.93,-33.55,;7.26,-32.79,;8.6,-33.56,;9.93,-32.8,;9.94,-31.26,;11.27,-30.49,;8.59,-30.48,;7.27,-31.25,;5.93,-30.49,;5.93,-35.11,;7.26,-35.88,)|
COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)S(C)(=O)=O
CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)Nc3ccccc3)ccc2[nH]c1=O
CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCC3CC3)ccc2[nH]c1=O
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)S(C)(=O)=O
Clc1ccc(CNC(=O)COc2ccc3[nH]c(=O)c(C#N)c(CCc4ccccc4)c3c2)cc1Cl
O=C(COc1ccc2[nH]c(=O)c(-c3ccco3)c(CCc3ccccc3)c2c1)NCc1ccccc1
O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1
O=C(CCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1
O=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1
CC(C)(NC(=O)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1
C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r|
CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1
O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(CC1)c1ccccc1
CC(C)(C)NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1
CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r|
OC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r|
CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccccn3)c(CCc3ccccc3)c2c1)c1ccccc1
CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3cccnc3)c(CCc3ccccc3)c2c1)c1ccccc1
CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccncc3)c(CCc3ccccc3)c2c1)c1ccccc1
Cc1cc(on1)-c1c(CCc2ccccc2)c2cc(OCC(=O)NC(C)(C)c3ccccc3)ccc2[nH]c1=O
Cc1c(c(=O)[nH]c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc12)S(C)(=O)=O
CS(=O)(=O)c1c(-c2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O
CC(C)CCc1c(-c2nccs2)c(=O)[nH]c2ccc(OCC(=O)NC(C)(C)c3ccccc3)cc12
CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCC(F)(F)F)c2c1)c1ccccc1
CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1
CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4-c4ccccc34)ncnc12 |r|
CCCC(=O)Nc1nc(cc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1
CCC(=O)Nc1nc(cc(n1)-c1ccc(SC)cc1)-c1ccc(SC)cc1
CCC(=O)Nc1nc(cc(n1)-c1ccccc1F)-c1ccccc1F
CCCC(=O)Nc1nc(cc(n1)-c1ccccc1F)-c1ccccc1F
CCC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
CCCC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
CCCC(=O)Nc1nc(cc(n1)-c1cccs1)-c1cccs1
CCC(=O)Nc1nc(cc(n1)-c1ccsc1)-c1ccsc1
CCCC(=O)Nc1nc(cc(n1)-c1ccsc1)-c1ccsc1
CCC(=O)Nc1cc(nc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1
CCC(=O)Nc1cc(nc(n1)-c1ccc(F)cc1)-c1ccc(F)cc1
CCCC(=O)Nc1cc(nc(n1)-c1ccc(F)cc1)-c1ccc(F)cc1
CCC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F
CCCC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F
CCC(=O)Nc1cc(nc(n1)-c1ccccc1OC)-c1ccccc1OC
CC(C)(C)CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
CCCC(=O)Nc1cc(nc(n1)-c1ccccc1OC)-c1ccccc1OC
CC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
CCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
CCCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
CCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
CCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1
CCCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1
CCC(=O)Nc1cc(nc(n1)-c1ccoc1)-c1ccoc1
CCCC(=O)Nc1cc(nc(n1)-c1ccoc1)-c1ccoc1
CCC(=O)Nc1cc(nc(n1)-c1ccsc1)-c1ccsc1
CCCC(=O)Nc1cc(nc(n1)-c1ccsc1)-c1ccsc1
CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1
CC(Cc1ccccc1)Nc1cc(Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CC1
CC(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1
CCC(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1
CC(C)C(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1
O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCC1
O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCCC1
Fc1ccc(cc1)C(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1
O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1
Cc1ccc(o1)-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1
O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1
Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1
O=C(Nc1cnc(-c2ccncn2)c(n1)-c1ccco1)C1CC1
Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1F
Cc1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)-c2ncco2)cn1
Cc1coc(n1)-c1cc2n(Cc3ccc(C)nc3)c(=O)[nH]c2c(N)n1
Cc1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)-n2nccn2)cn1
Cc1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)-n2cccn2)cn1
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(CC3)C(=O)c3cccc(c3)C(F)(F)F)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(CC3)c3cccc(c3)C(F)(F)F)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(c4)C(F)(F)F)c3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,wD:21.24,(10.57,-46.93,;10.57,-45.39,;11.9,-44.62,;13.23,-45.39,;14.57,-44.62,;13.24,-46.93,;11.9,-43.08,;10.57,-42.31,;10.57,-40.76,;11.9,-39.99,;11.89,-38.45,;13.22,-37.68,;13.23,-40.76,;14.71,-40.28,;15.62,-41.53,;17.16,-41.53,;17.93,-40.2,;17.16,-38.86,;19.46,-40.19,;20.23,-38.85,;21.77,-38.86,;22.54,-40.2,;21.76,-41.53,;20.23,-41.52,;24.08,-40.2,;24.85,-41.54,;23.5,-42.3,;24.83,-43.07,;26.38,-41.53,;27.14,-42.85,;28.67,-42.85,;29.43,-41.52,;28.65,-40.19,;27.12,-40.21,;29.41,-38.86,;30.95,-38.84,;28.63,-37.53,;30.17,-37.51,;14.71,-42.78,;13.23,-42.31,)|
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,wD:21.24,(-11.53,-48.22,;-11.53,-46.68,;-10.19,-45.91,;-8.85,-46.68,;-7.52,-45.91,;-8.85,-48.22,;-10.19,-44.37,;-11.53,-43.6,;-11.53,-42.05,;-10.19,-41.28,;-10.2,-39.74,;-8.87,-38.97,;-8.86,-42.05,;-7.38,-41.57,;-6.47,-42.82,;-4.93,-42.82,;-4.16,-41.49,;-4.93,-40.15,;-2.63,-41.48,;-1.86,-40.14,;-.32,-40.15,;.45,-41.49,;-.32,-42.82,;-1.86,-42.82,;1.99,-41.49,;2.76,-42.83,;1.99,-44.16,;4.29,-42.82,;5.05,-44.15,;6.58,-44.14,;7.34,-42.81,;6.56,-41.49,;5.03,-41.5,;7.32,-40.15,;8.86,-40.14,;6.54,-38.82,;8.08,-38.8,;-7.38,-44.08,;-8.86,-43.6,)|
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(Cc4cccc(c4)C(F)(F)F)CC3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(CC3)c3cccc(c3)C(F)(F)F)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,21.24,(-10.24,-4.6,;-10.24,-3.06,;-8.91,-2.29,;-7.57,-3.06,;-6.24,-2.29,;-7.57,-4.6,;-8.91,-.75,;-10.24,.02,;-10.24,1.56,;-8.91,2.33,;-8.91,3.87,;-7.58,4.65,;-7.57,1.57,;-6.1,2.05,;-5.19,.8,;-3.65,.8,;-2.88,2.13,;-3.65,3.46,;-1.34,2.14,;-.57,.8,;.96,.8,;1.74,2.13,;.97,3.47,;-.58,3.47,;3.28,2.12,;4.04,.79,;3.27,-.55,;5.57,.79,;6.33,-.53,;7.86,-.52,;8.62,.81,;7.84,2.13,;6.32,2.12,;8.61,3.47,;10.15,3.48,;7.83,4.8,;9.37,4.81,;-6.1,-.46,;-7.57,.02,)|
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 |r|
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,21.24,(11.5,-4.73,;11.5,-3.19,;12.83,-2.42,;14.17,-3.19,;15.5,-2.41,;14.17,-4.73,;12.83,-.88,;11.5,-.11,;11.5,1.44,;12.83,2.21,;12.82,3.75,;14.16,4.52,;14.16,1.45,;15.64,1.93,;16.55,.67,;18.09,.67,;18.86,2.01,;18.09,3.34,;20.4,2.02,;21.17,.68,;22.7,.67,;23.48,2.01,;22.71,3.34,;21.16,3.35,;25.02,2,;25.78,.66,;24.44,-.09,;26.17,-.82,;27.31,.67,;28.07,-.65,;29.6,-.65,;30.36,.68,;29.58,2.01,;28.06,2,;30.34,3.35,;31.88,3.36,;29.56,4.67,;31.1,4.69,;15.64,-.58,;14.17,-.1,)|
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 |r|
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,wD:21.24,(30.23,-47.93,;30.23,-46.39,;31.56,-45.62,;32.9,-46.39,;34.23,-45.62,;32.9,-47.93,;31.56,-44.08,;30.23,-43.31,;30.23,-41.77,;31.56,-41,;31.55,-39.46,;32.89,-38.68,;32.89,-41.76,;34.37,-41.28,;35.28,-42.53,;36.82,-42.53,;37.59,-41.2,;36.82,-39.87,;39.13,-41.19,;39.89,-39.86,;41.44,-39.86,;42.2,-41.2,;41.43,-42.53,;39.89,-42.53,;43.74,-41.21,;44.51,-42.54,;46.04,-42.54,;46.8,-43.86,;48.33,-43.85,;49.09,-42.52,;48.31,-41.2,;46.79,-41.21,;49.07,-39.86,;50.61,-39.85,;48.29,-38.53,;49.83,-38.52,;34.37,-43.79,;32.89,-43.31,)|
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(CC3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C3)C(=O)c3cccc(c3)C(F)(F)F)sc12 |r|
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CCN(C3)C(=O)c3cccc(c3)C(F)(F)F)sc12 |r|
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](C3)NCc3cccc(c3)C(F)(F)F)sc12 |r|
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12 |r|
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(CC3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Nc1nc2n(CCCc3ccc(OCCCF)cc3)ncc2c2nc(nn12)-c1ccco1
COC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Nc1nc2n(CCCc3ccc(OCC(O)=O)cc3)ncc2c2nc(nn12)-c1ccco1
NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Nc1nc2n(CCCc3ccc(OCC(=O)NCCNC(=O)CCCCC#C)cc3)ncc2c2nc(nn12)-c1ccco1
Nc1nc2n(CCCc3ccc(OCC(=O)NCCNC(=O)CCCCc4cn(CCCCCCC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)nn4)cc3)ncc2c2nc(nn12)-c1ccco1 |r|
CC(=O)NCCn1cc(CCCCC(=O)NCCNC(=O)COc2ccc(CCCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)cc2)nn1
Nc1nc2c(OCc3ccccc3)cccc2c2cn(nc12)-c1ccccc1
Nc1nc2c(O)cccc2c2cn(nc12)-c1ccccc1
Nc1nc2c(Br)cccc2c2cn(nc12)-c1ccccc1
Nc1nc2c(NCc3ccccc3)cccc2c2cn(nc12)-c1ccccc1
Cn1cc2c(n1)c(N)nc1c(OCc3ccccc3)cccc21
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCCc4ccccc34)ncnc12 |r|
CC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C
C[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C |r|
C[C@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C |r|
CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C
CC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C |c:4|
CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C |c:5|
CC[C@@H]1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C |r,c:5|
CC[C@H]1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C |r,c:5|
COc1cc(-c2nc3c4NC(C)Cn4c(=O)n(CC=C)c3n2)n(C)n1
CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C
CC[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C |r|
CC[C@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C |r|
COc1cc(-c2nc3N(Cc4ccccc4)C(=O)N4CC(C)N=C4c3[nH]2)n(C)n1 |c:23|
COc1cc(-c2nc3N(Cc4ccccc4)C(=O)N4C[C@@H](C)N=C4c3[nH]2)n(C)n1 |r,c:23|
COc1cc(-c2nc3N(Cc4ccccc4)C(=O)N4C[C@H](C)N=C4c3[nH]2)n(C)n1 |r,c:23|
CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OC)nn1C |c:5|
CC1CN2C(=N1)c1[nH]c(nc1N(CC=C)C2=O)-c1cc(OCc2ccccc2)nn1C |c:4|
CCC1CN2C(=N1)c1[nH]c(nc1N(CC=C)C2=O)-c1cc(OCc2ccccc2)nn1C |c:5|
CC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OCc2ccccc2)nn1C |c:4|
CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OCc2ccccc2)nn1C |c:5|
CC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1
CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1
C[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1 |r|
C[C@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1 |r|
CC1Cn2c(N1)c1nc(nc1n(Cc1ccccc1)c2=O)-c1cc(C)n(C)n1
CCC1Cn2c(N1)c1nc(nc1n(Cc1ccccc1)c2=O)-c1cc(C)n(C)n1
COc1cc(on1)-c1nc2c3NC(C)Cn3c(=O)n(CC=C)c2n1
CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)no1
COc1cc(on1)-c1nc2N(Cc3ccccc3)C(=O)N3CC(C)N=C3c2[nH]1 |c:26|
CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OC)no1 |c:5|
CCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCCC)c2n1 |r|
Nc1nc(N\N=C\C2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)C(F)(F)F
Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)-c1ccccc1
Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1
Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F
Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Cl)cc1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Br)cc1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1
COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Cl)cc2)cc1
COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Br)cc2)cc1
COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)C(F)(F)F)cc1
COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)-c2ccccc2)cc1
Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1
Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1
COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1
O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1
Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
CCCn1c(Oc2cccc(c2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Oc2cncc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Oc2cccnc2C)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(OC2CCCC2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(OC2CCOCC2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(OC2CCC(O)C2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(OC)c1
CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(O)c1
CCCn1c(Oc2ccc(F)c(F)c2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Oc2cccc(OC)c2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(NCc2ccc(cc2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(NCc2cccc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Nc2ccccc2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Nc2ccc(F)cc2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Nc2cccc(F)c2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Oc2ccc(cc2)C(N)=O)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Oc2ccc(C)nc2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Oc2ccc3[nH]ccc3c2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Oc2ccc(cc2)S(N)(=O)=O)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Oc2cccc(CC(O)=O)c2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Oc2cccc3cc[nH]c23)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Oc2cccc3[nH]ccc23)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Oc2cccnc2Cl)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Oc2cccc(O)c2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(OC2CCOC2)nc2nc([nH]c2c1=O)C1CCCC1
[H][C@@]1(CCOC1)Oc1nc2nc([nH]c2c(=O)n1CCC)C1CCCC1 |r|
[H][C@]1(CCOC1)Oc1nc2nc([nH]c2c(=O)n1CCC)C1CCCC1 |r|
CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(c1)C(N)=O
CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(c1)C(F)(F)F
CCCn1c(Oc2cc(C)ccn2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(OC2CCN(C)C2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(NCc2ccc(C)cc2)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c(Nc2cccc(c2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(F)cc2)c1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CCN(C2=O)c2ccc(OC(F)(F)F)cc2)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)nc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)no1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(OC)cc2)c1
CCCOCCn1c2cc(nnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1 |(22.74,-11.54,;21.41,-12.31,;20.07,-11.54,;18.74,-12.31,;18.74,-13.85,;17.41,-14.62,;17.41,-16.16,;18.74,-16.94,;20.06,-16.18,;21.39,-16.94,;21.39,-18.48,;20.06,-19.25,;18.73,-18.48,;17.41,-19.24,;17.41,-20.78,;16.08,-21.56,;14.75,-20.78,;13.42,-21.54,;13.41,-23.08,;12.08,-23.85,;14.75,-23.86,;16.09,-23.09,;16.08,-18.48,;16.08,-16.94,;14.74,-16.18,;22.71,-16.16,;22.71,-14.63,;24.03,-13.85,;25.38,-14.61,;26.71,-13.84,;28.04,-14.6,;25.38,-16.16,;24.05,-16.93,)|
Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)OC)F)C
CC(C)(C)OC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCCC1
CC(C)(C)OC(=O)NCCNc1nc(N)n2nc(nc2n1)-c1ccco1
CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(nc3n2)-c2ccco2)CC1 |(24.73,-16.21,;24.74,-14.67,;23.41,-13.89,;23.4,-15.43,;26.07,-13.91,;26.09,-12.37,;24.76,-11.59,;27.42,-11.61,;28.75,-12.39,;30.09,-11.63,;30.1,-10.09,;31.44,-9.33,;32.76,-10.11,;34.09,-9.34,;34.1,-7.8,;35.44,-7.04,;35.44,-5.49,;36.77,-4.72,;36.76,-3.18,;38.1,-5.48,;39.58,-5,;40.49,-6.26,;39.58,-7.51,;38.11,-7.04,;36.77,-7.81,;42.03,-6.26,;42.93,-5.01,;44.4,-5.49,;44.4,-7.03,;42.93,-7.5,;32.77,-11.64,;31.42,-12.41,)|
CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(nc2n1)-c1ccco1
CC(C)(C)OC(=O)NCCCCCNc1nc(N)n2nc(nc2n1)-c1ccco1
CC(C)(C)OC(=O)NCCOCCOCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(F)cc2)CC1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Br)cc2)CC1
Nc1nc(NCCOCCOCC[NH3+])nc2nc(nn12)-c1ccco1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Br)cc1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccccc1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Cl)cc1
Nc1nc(NCC2CCC(C[NH3+])CC2)nc2nc(nn12)-c1ccco1 |(33.51,-20.77,;33.51,-22.31,;32.18,-23.08,;32.18,-24.63,;30.84,-25.4,;29.51,-24.62,;28.17,-25.39,;26.84,-24.61,;25.51,-25.37,;25.5,-26.91,;24.16,-27.67,;22.83,-26.89,;26.83,-27.69,;28.17,-26.92,;33.51,-25.4,;34.85,-24.63,;36.32,-25.11,;37.23,-23.85,;36.32,-22.6,;34.85,-23.08,;38.77,-23.85,;39.68,-22.61,;41.14,-23.08,;41.14,-24.62,;39.68,-25.1,)|
Nc1nc(NCCCCC[NH3+])nc2nc(nn12)-c1ccco1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1
Nc1nc(=O)[nH]c2nc(nn12)-c1ccco1
Nc1nc(N)n2nc(nc2n1)-c1ccco1
Nc1nc(NC(=O)c2ccccc2)n2nc(nc2n1)-c1ccco1
Cn1ncc2nc(NC3CCCCC3)n3nc(nc3c12)-c1ccco1
Cn1ncc2nc(N3CCOCC3)n3nc(nc3c12)-c1ccco1
CN1CCN(CC1)c1nc2cnn(C)c2c2nc(nn12)-c1ccco1
Cn1ncc2nc(N3CCN(CC3)c3ccccc3)n3nc(nc3c12)-c1ccco1
Cn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
Nc1nc2cn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Nc1nc2cn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(nn23)-c2ccco2)cc1
CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2c1)-c1ccco1
COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Cn1cc2nc(NC(=O)Nc3ccncc3)n3nc(nc3c2c1)-c1ccco1
Cn1ncc2nc(N)n3nc(nc3c12)-c1ccco1
CCCn1ncc2nc(N)n3nc(nc3c12)-c1ccco1
Nc1nc2cnn(CCc3ccccc3)c2c2nc(nn12)-c1ccco1
Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1
COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(nn23)-c2ccco2)cc1
CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c12)-c1ccco1
COc1ccc(NC(=O)Nc2nc3cnn(CCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1
COc1ccc(NC(=O)Nc2nc3cnn(CCCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1
Cn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1
CCCn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1
Nc1nc2cn(CCc3ccccc3)nc2c2nc(nn12)-c1ccco1
Nc1nc2cn(CCCc3ccccc3)nc2c2nc(nn12)-c1ccco1
COc1ccc(NC(=O)Nc2nc3cn(C)nc3c3nc(nn23)-c2ccco2)cc1
CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2n1)-c1ccco1
COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1
COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1
CCCCC#Cc1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O |r|
CCCC\C=C\c1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4ccccc4)C(=O)OC)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4ccccc4)C(=O)OC)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)OC)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](CC(O)=O)C(O)=O)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](CC(O)=O)C(O)=O)cc3)nc12 |r|
[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])nc(-[#7]-[#6]-[#6]-c3ccc(-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)cc3)nc12 |r|
[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])nc(-[#7]-[#6]-[#6]-c3ccc(-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4ccccc4)C(O)=O)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4ccccc4)C(O)=O)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(O)=O)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(O)=O)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4cnc[nH]4)C(O)=O)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4cnc[nH]4)C(O)=O)cc3)nc12 |r|
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(F)cc3[nH]2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Cl)cc3[nH]2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(OC)cc3[nH]2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc4ccccc4cc3[nH]2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)[N+]([O-])=O)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(=O)OCC)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(O)=O)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3c(C)cccc3[nH]2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(Cl)c3[nH]2)C(F)(F)F)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(c3[nH]2)C(F)(F)F)C(F)(F)F)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(C)c(C)cc3[nH]2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3c(=O)[nH]2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ncncc3[nH]2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2noc(n2)-c2cccc(OC)c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)no1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Cl)cc3[nH]2)no1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Br)cc3[nH]2)no1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(F)(F)F)no1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(OC)cc3[nH]2)no1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)no1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(Cl)c3[nH]2)C(F)(F)F)no1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(c3[nH]2)C(F)(F)F)C(F)(F)F)no1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)nn1C
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Br)cc3[nH]2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(F)(F)F)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(C)cc3[nH]2)nn1C
COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12
COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)c(F)c3)nc12
COc1cnc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12
COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(O)CC3)nc12 |(8.17,-13.78,;9.51,-14.53,;9.54,-16.06,;8.22,-16.86,;8.24,-18.4,;9.59,-19.15,;9.61,-20.69,;10.95,-21.44,;10.98,-22.98,;9.66,-23.77,;8.31,-23.02,;8.29,-21.48,;10.91,-18.36,;12.39,-18.81,;13.27,-17.55,;14.81,-17.53,;15.6,-18.85,;14.85,-20.2,;17.13,-19.03,;16.68,-20.51,;17.04,-17.5,;18.33,-16.65,;19.7,-17.35,;20.99,-16.5,;19.79,-18.88,;18.51,-19.72,;12.34,-16.32,;10.89,-16.81,)|
CCN(CC)C1CCC(C)(CC1)C(=O)Nc1nc2c(OC)ccc(N3CCOCC3)c2s1
COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(C)(O)CC3)nc12 |(8.17,-13.78,;9.51,-14.53,;9.54,-16.06,;8.22,-16.86,;8.24,-18.4,;9.59,-19.15,;9.61,-20.69,;10.95,-21.44,;10.98,-22.98,;9.66,-23.77,;8.31,-23.02,;8.29,-21.48,;10.91,-18.36,;12.39,-18.81,;13.27,-17.55,;14.81,-17.53,;15.6,-18.85,;14.85,-20.2,;17.13,-19.03,;16.68,-20.51,;17.04,-17.5,;18.33,-16.65,;19.7,-17.35,;19.69,-15.82,;20.99,-16.5,;19.79,-18.88,;18.51,-19.72,;12.34,-16.32,;10.89,-16.81,)|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)[nH]c(=O)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(I)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)[nH]c(=O)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC4CCCCC4C3)[nH]c(=O)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)[nH]c(=O)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)[nH]c(=O)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)[nH]c(=O)nc12 |r|
CC(C)C[C@@H](CO)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC(Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[C@@H](O)c1ccccc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(I)nc12 |r|
OC[C@@H](Cc1ccccc1)Nc1nc(I)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H](Cc1ccccc1)Nc1nc(I)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)ncnc12 |r|
OC[C@@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC(C)C[C@H](CO)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(I)nc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@H](CN3C=Nc12)c1ccccc1 |r,c:20,t:14|
OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](CN3C=Nc12)c1ccccc1 |r,c:20,t:14|
CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
CC(C)(OC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c3N[C@H](Cn3c(=N)nc12)c1ccccc1 |r|
OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c3N[C@@H](Cn3c(=N)nc12)c1ccccc1 |r|
OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@H](Cc4ccccc4)CN3C=Nc12 |r,c:28,t:14|
C[C@H]1N=C2N(C=Nc3c2ncn3C2O[C@@H](CO)[C@H](O)[C@@H]2O)[C@@H]1c1ccccc1 |r,c:2,5|
OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](Cc4ccccc4)CN3C=Nc12 |r,c:28,t:14|
C[C@@H]1N=C2N(C=Nc3c2ncn3C2O[C@@H](CO)[C@H](O)[C@@H]2O)[C@H]1c1ccccc1 |r,c:2,5|
OC[C@H]1O[C@@H](Cn2cnc3c(NC4CC5CCC4O5)ncnc23)[C@H](O)[C@@H]1O |r,THB:11:12:18:16.15|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4OC3C=C4)ncnc12 |r,c:22,THB:14:15:18:20.21|
OC[C@H]1O[C@@H](Cn2cnc3c(NC4CC5CC4C(=O)C5)ncnc23)[C@H](O)[C@@H]1O |r,TLB:18:17:15:12.13,THB:11:12:15:17.19|
OC[C@H]1O[C@@H](Cn2cnc3c(NC4CC5CC4CC5O)ncnc23)[C@H](O)[C@@H]1O |r,TLB:19:18:15:12.13,11:12:15:17.18|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CC(O)C3C4)ncnc12 |r,TLB:20:19:22:15.16,14:15:22:19.18|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nccc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(NC3CCCCC3)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)ncnc12
Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cnc2c(NC3CCCC3)ncnc12
OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
CNc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
CCNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)ncnc12
OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
CNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)C#Cc1ccccc1 |r|
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(\C=C\C(=O)c3ccccc3)nc12 |r|
CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCn1c(nc2c(N)ncnc12)C#Cc1ccccc1
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12
CNc1nc(Cl)nc2n(cnc12)C1OC(CO)C(F)C1O
OCC1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]3c3ccccc3)ncnc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3Cl)ncnc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3OC)ncnc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc4ccccc4c3)ncnc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12 |r|
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
CCN(C)C1CCCc2ccncc12
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Cc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
COc1ccc(cc1)-n1nc2n(cc([nH]c2=O)-c2ccccc2)c1=O
Nc1ccc(cc1)-n1nc2n(cc([nH]c2=O)-c2ccccc2)c1=O
Oc1cccc(c1)-c1cn2c(nn(-c3ccccc3)c2=O)c(=O)[nH]1
COc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(=O)[nH]1
Nc1nc(cn2c1nn(-c1ccccc1O)c2=O)-c1ccccc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCC2CC2)cc1
Nc1ccc(cc1)-n1nc2c(N)nc(cn2c1=O)-c1ccccc1
O=c1n(nc2n1cc([nH]c2=O)-c1ccccc1)-c1ccccc1
COc1cccc(c1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
COc1ccc(cc1)-n1nc2c(N)nc(cn2c1=O)-c1ccccc1
Nc1nc(cn2c1nn(-c1ccc(cc1)[N+]([O-])=O)c2=O)-c1ccccc1
COc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccccc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1cccc(OCC#C)c1
COc1cccc(c1)-c1cn2c(nn(-c3ccccc3)c2=O)c(=O)[nH]1
COc1ccccc1-n1nc2n(cc([nH]c2=O)-c2ccccc2)c1=O
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCC2CCC2)cc1
Cc1cn2c(nn(-c3ccccc3)c2=O)c(=O)[nH]1
Nc1nc(cn2c1nn(-c1ccc(O)cc1)c2=O)-c1ccccc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1cccc(OCc2ccccc2)c1
Cc1cn2c(nn(-c3ccc(O)cc3)c2=O)c(N)n1
COc1ccccc1-n1nc2c(N)nc(cn2c1=O)-c1ccccc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCC#C)cc1
Cc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(=O)[nH]1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1cccc(O)c1
Cc1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Oc1ccccc1-n1nc2n(cc([nH]c2=O)-c2ccccc2)c1=O
COc1ccc(cc1)-n1nc2c(N)nc(C)cn2c1=O
CCCOc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
COc1ccc(cc1)-n1nc2n(cc(C)[nH]c2=O)c1=O
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCc2ccccc2)cc1
Oc1ccc(cc1)-n1nc2n(cc([nH]c2=O)-c2ccccc2)c1=O
CCOc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
CC(C)Oc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Cc1cn2c(nn(-c3ccc(O)cc3)c2=O)c(=O)[nH]1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(=O)[nH]1
Cn1c(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc1=O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCCCCCC3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCCCC3)ncnc12 |r|
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1O
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(O)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1C(O)=O
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(c1)C(O)=O
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cccc(c1)S(O)(=O)=O
OS(=O)(=O)c1ccc(cc1)-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
CCc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Nc1cc(Cl)ccc1-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCN(C)C
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(Cl)cc1N
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(O)(=O)=O
Cc1cc(O)cc(C)c1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CN(C)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1N
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(C)O
Cc1ccc(-c2nc3n(C)c(=O)n(CC=C)c(=O)c3[nH]2)c(N)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCC(=O)OCC
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Br)cc1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cccc(c1)S(=O)(=O)NCCN(C)C
CN(C)CCCNS(=O)(=O)c1ccc(cc1)-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(Br)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(N)cc1N
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCN(C)C
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCSCC1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1[N+]([O-])=O
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc2ccccc12
CC(C)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(I)cc1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)N(C)C
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)-c1ccccc1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(N)(=O)=O
Cn1c2nc([nH]c2c(=O)n(CC=C)c1=O)-c1ccc(Cl)cc1N
CN(C)c1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCCN(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCN(C)C
Cc1ccc(-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c(N)c1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc2ccccc2c1
CCCCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1N)[N+]([O-])=O
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(Br)cc1
CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CSc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
NNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1 |r|
COC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1 |r|
COC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NC(=O)C(F)(F)F |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(O)=O)cc3)ncnc12 |r|
CC(=O)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)CCCCC5SCC6NC(=O)NC56)cc4)cc3)ncnc12 |r|
CNC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
CCOC(=O)CNC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Cc1ccccc1NC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
CNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)C(F)(F)F)cc3)ncnc12 |r|
CNC(=O)CNC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NC(=O)OC(C)(C)C |r|
Cc1cccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c1 |r|
Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)CCc5ccc(O)cc5)cc4)cc3)ncnc12 |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(CC(O)C(O)C(O)CO)cnc12
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCCO1
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC[C@](O)(CO)[C@H]1O |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](CCl)[C@@H](O)[C@H]1O |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C(CO)OC(O)CO
CSC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12 |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1OCC(O)C(O)C1O
C[C@H](Cc1ccccc1)Nc1ncnc2n(C[C@@H](O)CO)cnc12
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCC(O)C1O
C[C@H](Cc1ccccc1)Nc1ncnc2n(C[C@H](O)CO)cnc12
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCO1
C[C@H](Cc1ccccc1)Nc1ncnc2n(COCCO)cnc12
C[C@H](Cc1ccccc1)Nc1ncnc2nc[nH]c12
CN(C)c1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cc(OC)c(OC)c(OC)c3)ncnc12 |r|
CCC(CC)NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12 |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)N(C)C |r|
CCCCN(C)C(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12 |r|
CNc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC=C |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)N(CC)CC |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC(C)C |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C)C |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12 |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCc1ccccc1 |r|
O[C@H]1[C@@H](O)C(O[C@@H]1C(O)=O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
COc1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc(OC)c1OC |r|
COc1ccc(Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OC)cc3)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCC(c3ccccc3)c3ccccc3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)(c3ccccc3)c3ccccc3)ncnc12 |r|
CC(C)(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCC(c3ccccc3)c3ccccc3)ncnc12 |r|
CC(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)(c1ccccc1)c1ccccc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCC(c3ccccc3)c3ccccc3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(c3ccccc3)c3ccccc3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(I)cc3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(F)c3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(O)c3)ncnc12 |r|
CCc1cccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
CCc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(F)cc3)ncnc12 |r|
Nc1cccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(c3)B(O)O)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(I)c3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3c4ccccc4cc4ccccc34)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCC3c4ccccc4-c4ccccc34)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3c4ccccc4-c4ccccc34)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cccc4ccccc34)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4Oc4ccccc34)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4CCc4ccccc34)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
Nc1ccc(CCn2c3[nH]c(nc3c(=O)n(CCc3ccc(N)cc3)c2=O)-c2ccc(OCC(O)=O)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c(=O)n(CCc2ccc(N)c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N=[N+]=[N-])c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N)c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c(=O)n(Cc2ccc(N=[N+]=[N-])c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3c(Cl)cccc3Cl)ncnc12 |r|
CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cc(OC)cc(OC)c3)c3ccccc3C)ncnc12 |r|
COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1)c1ccccc1C |r|
COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cc(OC)cc(OC)c3)c3ccccc3C)ncnc12 |r|
Cc1cccc(C)c1C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
Cc1cccc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccc(C)c1 |r|
COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1c(C)cccc1C |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cccc(Cl)c3)c3cccc(Cl)c3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3cc(Cl)cc(Cl)c3)ncnc12 |r|
[H][C@@]12CC[C@@]([H])(C1)[C@@]([H])(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
[H][C@]12CCC(C1)C(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,THB:8:6:5:3.2|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC[N-]C(=[SH+])Nc2ccc(cc2)[N+]([O-])=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc(N)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNC(=S)Nc2ccc(cc2)N=C=S)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)N=C=S)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC=O)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)S([O-])(=O)=O)cc4)cc3)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCN2C(=O)C=CC2=O)cc1 |c:39|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(Br)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(OC)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(C)cc2)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)ON5C(=O)CCC5=O)cc4)cc3)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc(NC(=S)Nc3ccc(cc3)N=C=S)cc2)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCN=C=S)cc4)cc3)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CBr)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2c(F)c(F)c(F)c(F)c2F)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNC(=O)CCCN2C(=O)C=CC2=O)cc1 |c:43|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)S([O-])(=O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCSSc2ccccn2)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(Br)cc5)cc4)cc3)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC(C)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(F)cc2)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccccc5F)cc4)cc3)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2cccc(c2)N=C=S)cc1
Cc1ccc(NC(=S)NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5n(cnc45)C4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)cc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)ON4C(=O)CCC4=O)cc3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)C#N)cc4)cc3)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)CBr)cc4)cc3)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNCCSSC(=O)CCC(=O)ON2C(=O)CCC2=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNS(=O)(=O)c2cccc(c2)S(Cl)(=O)=O)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(F)cc5)cc4)cc3)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)C#N)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5c(F)c(F)c(F)c(F)c5F)cc4)cc3)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCC(=O)ON2C(=O)CCC2=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)c2ccc(CBr)cc2)cc1
OCC1OC(C(O)C1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCC[N-]C(=[SH+])Nc5ccc(cc5)[N+]([O-])=O)cc4)cc3)ncnc12
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5cccc(c5)N=C=S)cc4)cc3)ncnc12 |r|
COc1ccc(NC(=S)NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5n(cnc45)C4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)cc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)N=C=S)cc4)cc3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4-c4ccccc34)nc(Nc3ccccc3)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Sc3ccccc3)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(nc12)S(=O)(=O)c1ccccc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Nc3ccccc3)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)nc(nc12)S(=O)(=O)c1ccccc1 |r|
COc1cc(OC)cc(c1)C(CNc1nc(Nc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
Nc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)nc(Sc3ccccc3)nc12 |r|
CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
CC(Cc1ccccc1)Nc1nc(N)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12 |r|
Nc1nc(Sc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)S(=O)(=O)c1ccccc1 |r|
Nc1nc(NCC2c3ccccc3-c3ccccc23)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccccc3)nc(NCCc3ccccc3)nc12 |r|
CC(O)CNc1nc(Nc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Sc3ccccc3)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4-c4ccccc34)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Nc3ccccc3)nc12 |r,TLB:14:15:21:19.18|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)c1ccccc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(NCc3ccccc3)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Nc3ccccc3)nc12 |r|
CC(Cc1ccccc1)Nc1nc(Nc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(NC2CCCC2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(NC2CCCCC2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(F)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)nc(Nc3ccccc3)nc12 |r|
CC(Cc1ccccc1)Nc1nc(Sc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Nc3ccccc3)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Nc3ccccc3)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)nc(Nc3ccccc3)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Sc3ccccc3)nc12 |r|
CC(O)CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
COc1cc(OC)cc(c1)C(CNc1nc(Nc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1C |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)[C@@H](Cc2cccs2)NC(=O)OC(C)(C)C)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccco1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)N(C)CCN(C)C)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc(I)s2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1
Cn1c2nc([nH]c2c(=S)n(C)c1=S)C1CCCC1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccoc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCN)cc1
CCn1c2nc([nH]c2c(=S)n(CC)c1=O)-c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)NCc2cccs2)cc1
CCCn1c2nc([nH]c2c(=S)n(CCC)c1=O)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCN(C)C)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=S)-c1ccccc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccco1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)CCN(C)C)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=S)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc([Hg]OC(C)=O)s2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(C)C)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=S)-c1cccs1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1cccs1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)OCC)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccsc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCN)cc1
CCCn1c2nc([nH]c2c(=S)n(CCC)c1=S)C1CCCC1
Cn1c2nc([nH]c2c(=O)n(C)c1=S)-c1ccco1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCN)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2cccs2)cc1
Cn1c2nc([nH]c2c(=S)n(C)c1=O)C1CCCC1
Cn1c2nc([nH]c2c(=S)n(C)c1=O)-c1ccccc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(F)cc3)nc12
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(Cl)cc3)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N(C)CCc1ccccc1
Nc1nc(NCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCc3ccccc3)nc12
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(OCC(O)=O)cc3)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CC(O)=O)cc3)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)OC)cc3)nc12
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|
Nc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
CCc1nnc2c(nc3ccccc3n12)N1CCCCC1
C1CCN(CC1)c1nc2ccccc2n2cnnc12
CCc1nnc2c(NC(C)C)nc3ccc(Cl)cc3n12
CCc1nnc2c(N)nc3cc(F)ccc3n12
Cc1nnc2c(N)nc3ccc(Cl)cc3n12
Nc1nc2cc(F)ccc2n2cnnc12
CCN(CC)c1nc2ccc(Cl)cc2n2c(CC)nnc12
CC(=O)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1
CCN(CC)c1nc2ccc(F)cc2n2cnnc12
COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3
CCc1nnc2c(NC)nc3ccccc3n12
CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
CCN(CC)c1nc2ccccc2n2c(nnc12)C(C)C
CCc1nnc2c(NC(C)C)nc3c(Cl)cccc3n12
CCc1nnc2c(N)nc3ccc(Cl)cc3n12
CCN(CC)c1nc2cc(Cl)c(Cl)cc2n2c(CC)nnc12
CCc1nnc2c(N)nc3cc(Cl)c(Cl)cc3n12
CC(C)Nc1nc2cc(F)ccc2n2cnnc12
Nc1nc2cc(Cl)ccc2n2cnnc12
CCc1nnc2c(N)nc3cc(OC)ccc3n12
CCNc1nc2ccc(F)cc2n2cnnc12
Nc1nc2ccccc2n2cnnc12
CCNc1nc2ccccc2n2c(nnc12)C(C)C
CN(C)c1nc2ccccc2n2cnnc12
CN1CCN(CC1)c1nc2ccccc2n2cnnc12
CCc1nnc2c(Nc3ccccc3)nc3ccc(Cl)cc3n12
CCc1nnc2c(NCCO)nc3ccccc3n12
CCc1nnc2c(N[C@@H](C)Cc3ccccc3)nc3ccc(Cl)cc3n12
CCc1nnc2c(NC(C)C)nc3cc(F)c(F)cc3n12
CCN(CC)c1nc2cc(F)c(F)cc2n2cnnc12
Fc1ccc2nc(NC3CCCCC3)c3nnc(n3c2c1)C(F)(F)F
CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)C(F)(F)F
CC(C)(C)Nc1nc2ccccc2n2cnnc12
CCc1nnc2c(NC3CCCC3)nc3ccc(Cl)cc3n12
CCc1nnc2c(N)nc3ccccc3n12
COc1nnc2c(NC(C)C)nc3ccc(F)cc3n12
Nc1nc2ccc(F)cc2n2c1n[nH]c2=O
CC(C)Nc1nc2ccccc2n2c(nnc12)C(F)(F)F
CCNc1nc2ccccc2n2c(CC)nnc12
CC(C)Nc1nc2ccc(Cl)cc2n2c(C)nnc12
CCc1nnc2c(nc3ccccc3n12)N1CCOCC1
CCN(CC)c1nc2ccccc2n2c(C)nnc12
CCc1nnc2c(NC(C)=O)nc3ccc(Cl)cc3n12
CCc1nnc2c(NC3CCCCC3)nc3ccc(Cl)cc3n12
CCN(CC)c1nc2ccc(Cl)cc2n2c(C)nnc12
CCc1nnc2c(N)nc3cc(Cl)ccc3n12
Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
CCc1nnc2c(N[C@@H](C)Cc3ccccc3)nc3c(Cl)cccc3n12
O=C1CCCN1c1nc2ccccc2n2cnnc12
C1CN(CCN1)c1nc2ccccc2n2cnnc12
Nc1nc2ccc(Cl)cc2n2cnnc12
CCc1nnc2c(NC(C)C)nc3cc(F)ccc3n12
CCc1nnc2c(nc3ccccc3n12)N(C(C)=O)C(C)=O
CC(C)Nc1nc2ccc(F)cc2n2cnnc12
CCNc1nc2ccccc2n2cnnc12
CC(C)Nc1nc2cc(Cl)c(Cl)cc2n2cnnc12
COc1ccc2c(c1)nc(N)c1nncn21
CCN(CC)c1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
CCNc1nc2ccc(OC)cc2n2c(CC)nnc12
CC(=O)Nc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
CCNc1nc2cc(F)c(F)cc2n2cnnc12
CC(C)Nc1nc2ccc(Cl)cc2n2cnnc12
FC(F)(F)c1nnc2c(NC3CCCCC3)nc3ccc(Cl)cc3n12
Oc1cccc(c1)C1=CSC2=Nc3ccccc3CN12 |t:8,11|
Cc1nnc2c(nc3ccccc3n12)N1CCCC1
CC(C)Nc1nc2cc(F)c(F)cc2n2cnnc12
CCc1nnc2c(NC(C)C)nc3ccc(F)cc3n12
CC(C)Nc1nc2ccc(F)cc2n2c1n[nH]c2=O
CC(C)Nc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
CNc1nc2ccccc2n2cnnc12
CCNc1nc2cc(F)ccc2n2cnnc12
CCc1nnc2c(NC(C)C)nc3cc(Cl)c(Cl)cc3n12
CCNc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
CCNc1nc2ccc(F)cc2n2c(CC)nnc12
C1CCN(C1)c1nc2ccccc2n2cnnc12
Nc1nc2ccc(F)cc2n2cnnc12
CCN(CC)c1nc2ccccc2n2c(CC)nnc12
CCc1nnc2c(NC(C)=O)nc3cc(Cl)c(Cl)cc3n12
CCc1nnc2c(nc3ccccc3n12)N1CCCC1
CC(C)Nc1nc2ccccc2n2c(C)nnc12
Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccc(Cl)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)nc(Cl)nc12 |r|
C[C@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc(ccc34)[N+]([O-])=O)ncnc12 |r|
COc1cc2CC(Cc2cc1OC)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CSc4ccccc4C3)ncnc12 |r|
CCCOc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCOc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc5OCOc5cc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCCCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc(Cl)ccc34)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3=CCCCc4ccccc34)ncnc12 |r,t:17|
CC(C)Oc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3COc4ccccc4C3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3=CCc4ccccc34)ncnc12 |r,t:17|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccc(OCc5ccccc5)cc34)ncnc12 |r|
COc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCCCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4c(OCc5ccccc5)cccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccccc4C3)ncnc12 |r|
COc1cc2CCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2cc1OC |r|
COc1ccc2C(CCCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
c1ccc2c(c1)CC[C@H]2Nc3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCSc4ccccc34)ncnc12 |r|
CCCOc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccc(O)cc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4c(O)cccc34)ncnc12 |r|
CC(C)Oc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r|
CCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc4C3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCc4ccccc34)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccccc34)ncnc12 |r|
CCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
COc1cc2CCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(OC)c1OC |r|
CCOc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3Cc4ccccc4C3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc(O)ccc34)ncnc12 |r|
CC(C)COc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3=CCCc4ccccc34)ncnc12 |r,t:17|
N(c1ccccc1)c1nc2ccccc2c2nc([nH]c12)-c1ccccc1
C[C@@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r|
Nc1nc2ccccc2c2nc[nH]c12
Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
N(c1ccccc1)c1nc2ccccc2c2nc[nH]c12
C1CCC(C1)Nc1nc2ccccc2c2nc[nH]c12
C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
C[C@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r|
Nc1nc(OCCC2CCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
CCC(CC)COc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
CC(C)CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
CC(C)COc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Nc1nc(OC2CCCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
CCCCCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
CC#CCCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Nc1nc(OCC2CCCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
CCCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Nc1nc(OCCC(=O)[C@H]2CC3CCC2C3)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r,THB:7:9:15:13.12|
CCCCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Nc1nc(OCCCCC2CCCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCO)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
CCCCCCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
CCC(C)Oc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
CC(C)Oc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
CCC(CC)CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
CC1(C)C2CC1C(CC2)C(=O)CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Nc1nc(OCCCC2CCCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
CC(C)CCCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Nc1nc(OCCC2CCCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(NCCC23CC4CC(CC(C4)C2)C3)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |TLB:14:9:16:13.15.12,14:13:16:9.8.10,THB:12:11:8:13.15.14,12:13:8:11.16.10|
CCOC(=O)Cc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Nc1nc(NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
CN(CCc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CCOC(=O)CCc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Nc1nc(NCCc2ccccn2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCc2ccc(CCC3CCCCC3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
[H][C@]1(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)CC2CCC1C2 |TLB:2:1:29:27.26|
Nc1nc(NCCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CN(CCC1CCCCC1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Nc1nc(NCCc2ccc(CCC(O)=O)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |t:7|
Nc1nc(NCCN2CCOCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCC2CCOCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCc2cc(Br)cs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
[H][C@@]12C[C@@]([H])(C=C(CCNc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)C1)C2(C)C |t:5,TLB:7:6:30:2|
Nc1nc(NC[C@H](O)c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCc2ccc3CCCCc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CC(C)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
COc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Nc1nc(NCCc2c[nH]c3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CCC(CC)CCNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Nc1nc(NC2Cc3ccccc3C2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NC[C@@H](O)c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
C[C@H](CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Nc1nc(NCC(c2ccccc2)c2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
CC(C)(C)OC(=O)c1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Nc1nc(NCCc2ccc3ccccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCc2ccc(CCc3ccccc3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCOc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
N(c1ccccc1)c1ncnc2n(cnc12)-c1ccccc1
Cn1cnc2c(NC3CCCCC3)ncnc12
CCn1cnc2c(NC3CCCC3)ncnc12
CCn1cnc2c1ncnc2N
CC[C@H](Nc1nc(Cl)nc2n(C)cnc12)c1ccccc1
C1CCC(C1)Nc1ncnc2n(cnc12)C1CCCO1
Cn1cnc2c(NC3CCCC3)nc(Cl)nc12
CC[C@@H](Nc1nc(Cl)nc2n(C)cnc12)c1ccccc1
Nc1ncnc2n(CCO)cnc12
OCCn1cnc2c(NC3CCCC3)ncnc12
CC[C@@H](Nc1ncnc2n(cnc12)-c1ccccc1)c1ccccc1
Nc1ncnc2n(cnc12)-c1ccccc1
c1nc(c2c(n1)n(cn2)C3CCCC3)N
C1CCC(C1)Nc1ncnc2n(cnc12)-c1ccccc1
CC[C@H](Nc1ncnc2n(cnc12)-c1ccccc1)c1ccccc1
Cn1cnc2c(Nc3ccccc3)nc(Cl)nc12
Nc1ncnc2n(cnc12)C1CCCO1
CC[C@H](Nc1ncnc2n(C)cnc12)c1ccccc1 |r|
Cn1cnc2c(N)nc(Cl)nc12
CCn1cnc2c(NC3CCCCC3)ncnc12
Cn1cnc2c(Nc3ccccc3)ncnc12
C1CCC(C1)Nc1ncnc2n(cnc12)C1CCCC1
CC[C@@H](Nc1ncnc2n(C)cnc12)c1ccccc1 |r|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCC1 |r|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCC1CCCCC1 |r|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCC1CCCCC1 |r|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCC1CCCC1 |r|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCCC1CCCCC1 |r|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1CCCCC1 |r|
CCCCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(C)=O)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=O)NC)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC=O)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=S)NC)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2n1 |r|
CCCCCC\C=C/c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCC#Cc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#C |r|
CCCCCCC#Cc1nc2c(N)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCCCCC#Cc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC(=O)c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCCCCCC#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCC#Cc1nc(N)c2[nH]cnc2n1
CCCOCCC#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCS([O-])(=O)=O)ncnc12 |r|
CC(=O)N(c1ccc(CC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1)c1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
C[C@H](N)Cc1ccc(I)cc1 |r|
Nc1nc(N=NCc2ccc(F)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
CC(C)(C)OC(=O)CCc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:14.13|
Nc1nc(N=NCc2ccccc2Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Nc1nc(N=NCCCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
CC(N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccc(F)cc1 |r,w:2.1|
Nc1nc(N=NCc2cc(Br)cs2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
COc1ccccc1CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:9.9|
Nc1nc(N=NCc2ccc(Cl)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Nc1nc(N=NCCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Cc1cccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 |r,w:7.6|
NNc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(N=NCc2ccc(CCC(O)=O)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Nc1nc(N=NCc2cccnc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Nc1nc(N=NCc2cccc(Cl)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
CC(N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1 |r,w:2.1|
Nc1nc(N=NCc2cccc(F)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Nc1nc(N=NCc2ccccc2F)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
COc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:7.6|
Nc1nc(N=NCc2ccc3ccccc3c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Nc1nc(N=NCc2cccs2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
COc1cccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 |r,w:8.7|
Nc1nc(N=NCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Nc1nc(N=NCc2ccccn2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Nc1nc(N=NCc2ccsc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Cc1ccccc1CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:8.8|
CC(C)(C)OC(=O)CCc1ccc(CCNc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r|
CC(N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1cccs1 |r,w:2.1|
Nc1nc(N=NCc2ccncc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Nc1nc(N=NCc2cccc3ccccc23)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1 |r|
CCCn1c(=O)n(CCc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)C1CCCC1
C[C@H](Cc1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc6c(c5)C(=O)CC65c6ccc(O)cc6Oc6cc(O)ccc56)cc4)cc3)ncnc12 |r|
Cn1cnc2c(NC3CC4CCC3C4)ncnc12
Nc1ccc(CCNc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I |r|
Nc1nc(nc2n(ncc12)-c1ccccc1)-c1ccccc1
OCCCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCc2ccc(N)c(I)c2)cc1
Nc1nc(NCCC2CCCC=C2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,c:11|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCNC(=S)Nc4ccc(cc4)N=C=S)cc3)nc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CNC(C)=O)CC1 |wU:17.18,wD:20.22,(11.75,-19.34,;11.75,-17.81,;13.08,-17.03,;13.08,-15.5,;14.43,-14.72,;15.9,-15.18,;16.79,-13.93,;15.87,-12.69,;14.41,-13.17,;13.08,-12.41,;13.08,-10.86,;11.75,-13.19,;10.42,-12.41,;10.42,-10.88,;9.09,-10.1,;11.75,-14.72,;10.42,-15.5,;18.34,-13.93,;19.09,-12.58,;20.62,-12.58,;21.41,-13.91,;22.95,-13.91,;23.72,-15.24,;25.26,-15.24,;26.03,-16.57,;26.03,-13.91,;20.64,-15.26,;19.1,-15.26,)|
CCCn1c(=O)n(CCc2ccc(NC(=O)C(C)C)cc2)c2nc([nH]c2c1=O)C1CCCC1
CCCn1c2nc(\C=C/c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
CCCCn1c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCC)c1=O
CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O |r|
CCCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCCC)c1=O |r|
CCCCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCCCC)c1=O |r|
CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)N(C)C)c2c(=O)n(CCCC)c1=O |r|
CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=S |r|
CCCCn1c2ncn(C3O[C@H](OC(C)=O)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O |r|
CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2c(=O)n(CCCC)c1=O |r|
CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2c(=O)n(CCCC)c1=O |r|
CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C(=O)c2ccccc2)c1=O |r|
Cn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C)c1=O |r|
CCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCC)c1=O |r|
CCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCC)c1=O |r|
CCCCn1c(=O)n(Cc2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1=O |r|
CCCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCCC)c1=O |r|
O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4ccccc4)c4ccccc34)ncnc12 |r|
CC(Cc1cn(Cc2cc(C)ccc2C)c2ccccc12)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4ccccc4)c4ccccc34)ncnc12 |r|
O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(CC4CC4)c4ccccc34)ncnc12 |r|
O[C@@H]1[C@H](O)[C@H](OC1N1CNc2c1ncnc2NCCc1cn(Cc2ccccn2)c2ccccc12)C(=O)NC1CC1 |r|
O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4ccc(Cl)cc4)c4ccccc34)ncnc12 |r|
O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(CCN4CCCCC4)c4ccccc34)ncnc12 |r|
Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3ccccc23)c1 |r|
O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(CC=C)c4ccccc34)ncnc12 |r|
COc1ccccc1Cn1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r|
Cc1ccc(Cn2cc(CCNc3ncnc4n(cnc34)C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3ccccc23)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4cc(C)ccc4C)c4ccccc34)ncnc12 |r|
O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)ncnc12 |r|
CN(C)c1ccccc1Cn1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r|
Cc1ccc(Cn2cc(CCNc3ncnc4n(cnc34)C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3ccccc23)cc1C |r|
Cn1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r|
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)nc(Cl)nc23)n1 |r|
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CC5CCC4C5)nc(Cl)nc23)n1 |r,TLB:19:20:26:23.24|
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(Nc4ccc(Cl)cc4F)nc(Cl)nc23)n1 |r|
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r|
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(Nc4ccc(Cl)cc4F)nc(nc23)-c2cc(C)cc(C)c2)n1 |r|
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N[C@@H]4CCOC4)nc(nc23)-c2cc(C)cc(C)c2)n1 |r|
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)nc(nc23)-c2cc(C)cc(C)c2)n1 |r|
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(Nc4ccc(Cl)cc4F)ncnc23)n1 |r|
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N[C@@H]4CCOC4)ncnc23)n1 |r|
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)ncnc23)n1 |r|
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)nc(Cl)nc12 |r|
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 |r|
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CC5CCC4C5)nc(nc23)-c2cc(C)cc(C)c2)n1 |r,TLB:19:20:26:23.24|
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)n1 |r|
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CC5CCC4C5)ncnc23)n1 |r,TLB:19:20:26:23.24|
CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)[N+]([O-])=O)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)cc3)ncnc12
CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12 |r|
CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(Cl)cc3)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)[n+]([O-])cnc12 |r|
CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)S(O)(=O)=O)ncnc12 |r|
CCNC(=O)C1OC(C(O)C1O)n1cnc2c1ncn(Cc1ccccc1[N+]([O-])=O)c2=[NH2+]
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
CCNC(=O)C1OC(C(O)C1O)n1cnc2c1ncn(Cc1ccc(cc1)[N+]([O-])=O)c2=[NH2+]
CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(Br)cc3)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](C)c3ccccc3)ncnc12 |r|
O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCc3ccccc3)ncnc12 |r|
CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(NC(C)=O)c3)ncnc12 |r|
CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(N)c3)ncnc12 |r|
CC(O)[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
Clc1nc(NC(=O)c2cccc(I)c2)c2ncn(C3CCCO3)c2n1
CCCCCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12 |r|
c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N
Nc1cc(Cl)nc2n(cnc12)C1CC(O)C(CO)O1
Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
CNC(=O)C1CC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Nc1cc(Cl)nc2n(cnc12)C1CCC(CO)O1
Nc1nc(NCCc2ccccc2)nc2n(cnc12)C1CC(O)C(O)C1O
Nc1nc(Cl)nc2n(cnc12)C1CC(O)C(CO)S1
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(F)(F)F |r|
COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc2OCOc2c1)C(=O)OC |c:5,t:8|
CCCC1C(C(=O)OC)C(C)=NC(C)=C1C(=O)OCC |c:10,13|
CCOC(=O)C1=C(C)N=C(C)C(C1CC)C(=O)OC |c:5,t:8|
COc1ccc(cc1)C1CC=NC=C1 |c:11,13|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8|
CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc(O)c(OC)c1)C(=O)OC |c:5,t:8|
COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
COCCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:7,t:10|
COC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(C)N=C1C |c:21,t:18|
[#6]-[#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#6])-[#7]=[#6](-[#6])-[#6](-[#6]-1-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6] |c:5,t:8|
CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:3.3,c:15,t:12|
CCOC(=O)C1=C(C)N=C(C)C(C1CCc1ccccc1)C(=O)OC |c:5,t:8|
CCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:5,t:8|
CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc(OC)cc1)C(=O)OC |c:5,t:8|
CCOC(=O)C1C(C)C(C(=O)OCCSc2ccccc2)=C(C)N=C1C |c:24,t:21|
CCCCC1=C(C(C)C(C(=O)OCC)C(C)=N1)C(=O)OCC |c:15,t:4|
CCO\C([O-])=C1\C(\C=C\c2ccccc2)C(C(=[OH+])OCC)=C(C)N=C1c1ccc(cc1)[N+]([O-])=O |c:24,t:21|
CCOC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:19,21|
CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccsc1 |c:21,23|
CCOC(=O)C1C(CC)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:14,16|
CCOC(=O)C1C(\C=C\c2ccc(N)cc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:22,24|
CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccoc1 |c:21,23|
CCOC(=O)C1C(\C=C\c2ccccc2OC)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:23,25|
COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccccc1[N+]([O-])=O)=C([O-])OCCN(C)Cc1ccccc1 |w:21.23,c:4,t:7|
CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1
CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(C)cc1 |c:21,23|
CCO\C([O-])=C1\C(\C=C\c2ccccc2[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24|
CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:24,t:21|
CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1
CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(OC)cc1 |c:21,23|
CCO\C([O-])=C1\C(\C=C\c2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24|
CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C
[#6]-[#6]-[#8]-[#6](=O)-[#6]-1-[#6](\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6](-[#6](=O)-[#8]-[#6]-[#6])=[#6](-[#7]=[#6]-1-[#6])-c1ccccc1 |c:28,30|
CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(Cl)cc1 |c:21,23|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)C(F)(F)F)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(c3)C(F)(F)F)ncnc12 |r|
CNc1ncnc2n(Cc3ccccc3F)cnc12
Nc1ncnc2n(cnc12)C1O[C@H]([C@@H](O)C#C)[C@@H](O)[C@H]1O |r|
CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3Cl)ncnc12 |r|
CCCOc1ccc(NC(=O)Nc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(NS(=O)(=O)c4cc(C)on4)cc3)ncnc12 |r|
CCOC(=O)c1c(C)nc(C2CCCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1
CCCOC(=O)C1C(C)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:14,16|
CC(C)NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO)N
CCOC(=O)N1CCN(CC1)c1cc(nc2nc(C)ccc12)-c1ccccc1
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12 |r|
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ccnc12 |r|
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12 |r|
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CC3)ncnc12
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ccnc12 |r|
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ncnc12
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C(O)C#C)[C@@H](O)[C@H]1O |r|
Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O
Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
[#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6@@H](-[#6]-[#8])-[#8]-[#6@H](-[#6@@H]1-[#8])-n1cnc2c(-[#7])ncnc12
N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12
N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N
N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
COc1ccc(cc1)-c1nnc2n(C)c3ccccc3n2c1=O
O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Oc1ccc(cc1O)-c1nnc2[nH]c3ccccc3n2c1=O
O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccccc1
Cn1c2ccccc2n2c1nnc(-c1ccc(O)cc1)c2=O
O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccco1
O=c1c(n[nH]c2nc3ccccc3n12)-c1cccs1
O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccco1
Cn1c2ccccc2n2c1nnc(-c1ccco1)c2=O
O=c1c(nnc2[nH]c3ccccc3n12)-c1ccsc1
O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccsc1
COc1ccc(cc1OC)-c1nnc2[nH]c3ccccc3n2c1=O
Cn1c2ccccc2n2c1nnc(-c1ccsc1)c2=O
Oc1ccc(cc1)-c1nnc2[nH]c3ccccc3n2c1=O
Cn1c2ccccc2n2c1nnc(-c1ccccc1)c2=O
Cc1nnc2[nH]c3ccccc3n2c1=O
Oc1ccc(cc1)-c1nnc2n(Cc3ccccc3)c3ccccc3n2c1=O
Cn1c2ccccc2n2c1nnc(-c1ccc(O)c(O)c1)c2=O
Cn1c2ccccc2n2c1nnc(-c1cccs1)c2=O
O=c1c(n[nH]c2nc3ccccc3n12)-c1ccco1
CCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(OCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
COc1ccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CN(C)CCc1ccccc1 |r|
CCCOCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(CO)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Cc1ccccc1CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CNCc1ccccc1 |r|
CCOCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(OCCc2ccccc2Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
COCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(CC3CCC(CC3)C(O)=O)nc12 |r,wU:5.4,wD:8.8,10.11,(-4.53,-5.43,;-3.37,-4.42,;-1.92,-4.92,;-.76,-3.92,;-1.05,-2.41,;.7,-4.42,;2.66,-3.45,;4.64,-4.42,;3.89,-5.94,;4.73,-7.31,;1.43,-5.94,;.57,-7.29,;4.66,-2.89,;3.76,-1.64,;4.66,-.4,;6.11,-.87,;7.43,-.1,;7.43,1.44,;8.78,-.87,;8.78,-2.41,;10.11,-3.17,;10.11,-4.71,;11.44,-5.47,;11.44,-7.01,;10.1,-7.78,;8.78,-7.01,;8.78,-5.48,;10.1,-9.32,;11.43,-10.09,;8.76,-10.08,;7.43,-3.17,;6.11,-2.41,)|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(CC3CCC(CO)CC3)nc12 |r,wU:5.4,wD:8.8,10.11,(-4.53,-5.43,;-3.37,-4.42,;-1.92,-4.92,;-.76,-3.92,;-1.05,-2.41,;.7,-4.42,;2.66,-3.45,;4.64,-4.42,;3.89,-5.94,;4.73,-7.31,;1.43,-5.94,;.57,-7.31,;4.66,-2.89,;3.76,-1.64,;4.66,-.4,;6.11,-.87,;7.43,-.1,;7.43,1.44,;8.78,-.87,;8.78,-2.41,;10.11,-3.17,;10.11,-4.71,;11.44,-5.47,;11.44,-7.01,;10.1,-7.78,;10.1,-9.32,;11.43,-10.09,;8.78,-7.01,;8.78,-5.48,;7.43,-3.17,;6.11,-2.41,)|
CC(C)COc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCC(CC)CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CC(C)CCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CC(=O)OC(C)(C)C)cc1 |r|
C[C@@H](CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1)c1ccccc1
CCC(CC)COc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
COc1cc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc(OC)c1OC |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CNCCc1ccc(CC(=O)OC)cc1 |r|
Nc1nc(OCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CC(C)Oc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(CCO)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Cc1cccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 |r|
CCCOCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
COc1cccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 |r|
Nc1nc(OCCC2CCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(OCCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(OCCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(OCCCCCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(CC3CCC(COC(C)=O)CC3)nc12 |r,wU:5.4,wD:8.8,10.11,(-4.53,-5.43,;-3.37,-4.42,;-1.92,-4.92,;-.76,-3.92,;-1.05,-2.41,;.7,-4.42,;2.66,-3.45,;4.64,-4.42,;3.89,-5.95,;4.73,-7.3,;1.43,-5.95,;.57,-7.3,;4.66,-2.89,;3.76,-1.64,;4.66,-.4,;6.11,-.87,;7.44,-.1,;7.44,1.44,;8.78,-.87,;8.78,-2.41,;10.11,-3.17,;10.11,-4.71,;11.44,-5.47,;11.44,-7.02,;10.1,-7.78,;10.1,-9.32,;11.43,-10.09,;12.77,-9.32,;12.77,-7.78,;14.09,-10.09,;8.78,-7.01,;8.78,-5.48,;7.44,-3.17,;6.11,-2.41,)|
Nc1nc(OCCO)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC[C@H](COc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(CC3CCC(CC3)C(=O)OC)nc12 |r,wU:5.4,wD:8.8,10.11,(-4.53,-5.43,;-3.37,-4.42,;-1.92,-4.92,;-.76,-3.92,;-1.05,-2.41,;.7,-4.42,;2.66,-3.45,;4.64,-4.42,;3.89,-5.94,;4.73,-7.31,;1.43,-5.94,;.57,-7.29,;4.66,-2.89,;3.76,-1.64,;4.66,-.4,;6.11,-.87,;7.43,-.1,;7.43,1.44,;8.78,-.87,;8.78,-2.41,;10.11,-3.17,;10.11,-4.71,;11.44,-5.47,;11.44,-7.01,;10.1,-7.78,;8.78,-7.01,;8.78,-5.48,;10.1,-9.32,;8.76,-10.08,;11.43,-10.09,;11.43,-11.62,;7.43,-3.17,;6.11,-2.41,)|
Nc1nc(OCCc2cccc(Cl)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CNCCc1ccc(F)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CNCCc1ccccc1 |r|
CCCCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
COc1ccccc1CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(OCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(Oc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCCCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CNCCc1ccc(CC(O)=O)cc1 |r|
Nc1nc(OCCc2ccc(F)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
COc1ccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1OC |r|
Cc1ccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r|
O=C(Nc1nc(ns1)-c1ccccc1)Nc1ccccc1
O=C(Nc1nc(cs1)-c1ccccn1)Nc1ccccc1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
Ic1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
OC1CCC(CC1)C(=O)Nc1nc(ns1)-c1ccccc1 |(9.15,-12.04,;10.26,-10.94,;9.83,-9.87,;8.52,-9.13,;9.01,-7.88,;9.36,-8.89,;10.73,-9.69,;9.01,-6.57,;10.16,-5.91,;7.86,-5.91,;7.86,-4.57,;9.08,-4,;9.08,-2.45,;6.66,-2.45,;6.66,-3.86,;10.19,-1.35,;11.69,-1.75,;12.77,-.64,;12.37,.86,;10.84,1.25,;9.76,.13,)|
Cc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
O=C(Nc1nc(cc2ccccc12)-c1ccccc1)c1ccccc1
O=C(Nc1nc(ns1)-c1ccccc1)c1ccccc1
Clc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
O=C(Nc1nc(cs1)-c1ccccn1)c1ccccc1
CC(C)Oc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
Clc1cccc(c1)C(=O)Nc1nc(cs1)-c1ccccn1
O=C(Nc1nc(cs1)-c1ccccn1)C1CCCC1
COC1CCC(CC1)C(=O)Nc1nc(ns1)-c1ccccc1 |(11.74,-12.58,;11.74,-11.03,;10.26,-10.63,;9.83,-9.57,;8.52,-8.82,;9.01,-7.58,;9.36,-8.59,;10.73,-9.39,;9.01,-6.26,;10.16,-5.6,;7.86,-5.6,;7.86,-4.26,;9.08,-3.7,;9.08,-2.15,;6.66,-2.15,;6.66,-3.56,;10.19,-1.04,;9.76,.44,;10.84,1.54,;12.37,1.17,;12.77,-.34,;11.69,-1.44,)|
OC(=O)COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1cc(ncn1)-c1ccccc1
COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1cccnc1
Clc1ccc(cc1Cl)C(=O)Nc1nc(cs1)-c1ccccn1
COc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Oc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
Cc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
Nc1nc2ccc(F)cc2c2nc(nn12)-c1ccco1
Clc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
O=C(Nc1nc(ns1)-c1ccccc1)C1CCCCC1
CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
CCC1CN2C(=N1)c1c(nc(-c3ccccc3)n1C)N(C)C2=O |c:5|
Cn1c(nc2NC(=O)N3CCN=C3c12)-c1ccccc1 |c:11|
Cn1cnc2NC(=O)N3CCN=C3c12 |c:11|
CC[C@@H]1Cn2c(N1)c1nc(C=Cc3ccccc3)nc1n(C)c2=O |r,w:11.12|
C[C@@H]1CN=C2N1C(=O)N(C)c1ncn(C)c21 |r,c:3|
CN1c2ncn(C)c2C2=NCCCCN2C1=O |t:9|
CN1c2nc(-c3ccccc3)n(C)c2C2=NCCN2C1=O |t:16|
CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
CN1c2ncn(C)c2C2=NCCCN2C1=O |t:9|
CN1c2ncn(C)c2\C2=N\CCCCCN2C1=O |t:9|
CC1CN=C2N1C(=O)N(C)c1ncn(C)c21 |c:3|
CN1c2ncn(C)c2C2=NCCN2C1=O |t:9|
CCC1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
CN1c2nc(Cl)n(C)c2C2=NCCCN2C1=O |t:10|
CC[C@H]1Cn2c(N1)c1nc(C=Cc3ccccc3)nc1n(C)c2=O |r,w:11.12|
CC[C@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1 |r|
CC[C@@H]1CN2C(=N1)c1c(nc(-c3ccccc3)n1C)N(C)C2=O |r,c:5|
Nc1ncnc2n(cnc12)C1O[C@H](CC(=O)NCc2cccc(I)c2Cl)[C@@H](O)[C@H]1O |r|
OCC[C@@H]1CCCCN1C(=O)C=CC1=CC=CN2N=C(CC12)c1ccccc1 |w:11.11,c:16,19,t:14|
CCOC(=O)c1cnc2n(CC(Cl)COc3ccccc3)ncc2c1NC1CC1
CCOC(=O)c1cnc2n(CC(Cl)COc3ccccc3)ncc2c1NCCc1ccccc1
COc1ccc(cc1)-c1nc(N)c2c(C)c(C)n(C(C)c3ccccc3)c2n1
CCOC(=O)c1cnc2n(C)ncc2c1NCCc1ccccc1
Nc1nc2ccc(Cl)cc2n2nc(nc12)-c1ccccc1F
CCCCNc1c(cnc2n(CC(Cl)COc3ccccc3)ncc12)C(=O)OCC
CCOCCNc1c(cnc2n(CC(Cl)COc3ccccc3)ncc12)C(=O)OCC
Cc1cnc2c(NC3CCCC3)nc3ccccc3n12
CCCSc1nc(SC(CC)C(N)=O)nc2n(cnc12)-c1ccccc1
CN1CNc2c1ncnc2NC1CCCC1
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CCCCC1
CCOC(=O)c1cnc2n(CC(Cl)COc3ccccc3)ncc2c1NC1CCCCC1
C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1(C)O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC1(O[C@H](CO)[C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r,w:1.10|
CC1(O[C@H](CO)[C@@H](O)[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1(C)O[C@H](CO)[C@@H](O)[C@H]1O |r|
CSc1n(C)nc2nc(NC(=O)Cc3ccc(CC(C)C)cc3)n3nc(nc3c12)-c1ccco1
CCNc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
CCNc1n(C)nc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c12)-c1ccco1
CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccc(CN2CCN(C)CC2)o1
Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1
CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccc(CN2CCOCC2)o1
CCCSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
COc1ccc(NC(=O)Nc2nc3nn(C)c(N4CCN(C)CC4)c3c3nc(nn23)-c2ccco2)cc1
CCNc1n(C)nc2nc(NC(=O)Cc3ccc4OCOc4c3)n3nc(nc3c12)-c1ccco1
CSc1n(C)nc2nc(NC(=O)Cc3ccc4OCOc4c3)n3nc(nc3c12)-c1ccco1
CCOC(=O)COc1ccc(cc1)-c1nc2c3cnn(CCc4ccccc4)c3nc(N)n2n1
Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccc(OCC(O)=O)cc1
Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccc(O)cc1
COc1ccc(Nc2n(C)nc3nc(N)n4nc(nc4c23)-c2ccco2)cc1
CSc1n(CCCc2ccccc2)nc2nc(N)n3nc(nc3c12)-c1ccco1
Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccccc1
COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1
CCOc1ccccc1-c1nc2c3cnn(CCc4ccccc4)c3nc(N)n2n1
COc1ccc(CC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1
Cn1nc2nc(N)n3nc(nc3c2c1Nc1ccc(O)cc1)-c1ccco1
CN1CCN(Cc2ccc(o2)-c2nc3c4cnn(CCc5ccccc5)c4nc(N)n3n2)CC1
CN1CCN(CC1)c1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Nc1nc(N=NNC(=O)Nc2cccc(Cl)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
CCCc1c(O)c2[nH]c(CCCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:14|
Cc1c(O)c2[nH]c(CCCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:12|
CCCc1c(O)c2[nH]c(CN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:11|
Cc1c(O)c2[nH]c(CCN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:10|
Cc1c(O)c2[nH]c(CCCN3N=CCCC3=O)nc2n(C)c1=O |c:11|
Cc1c(O)c2[nH]c(CCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:11|
Cc1c(O)c2[nH]c(CCN3N=CCCC3=O)nc2n(C)c1=O |c:10|
CCCc1c(O)c2[nH]c(CCCN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:13|
CCCc1c(O)c2[nH]c(CCN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:12|
CCCc1c(O)c2[nH]c(CN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:11|
Cc1c(O)c2[nH]c(CCN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:10|
CCCc1c(O)c2[nH]c(CCN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:12|
Cc1c(O)c2[nH]c(CCCCN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:12|
Cc1c(O)c2[nH]c(CCCN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:11|
CCCc1c(O)c2[nH]c(CCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:13|
Cc1c(O)c2[nH]c(CN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:9|
Cc1c(O)c2[nH]c(CN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:9|
CCCc1c(O)c2[nH]c(CCCCN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:14|
CC(=O)Nc1cc(cc(n1)-c1ccccc1)-c1ccccc1
COc1cccc(c1)-c1cc(NC(C)=O)nc(c1)-c1cccc(OC)c1
CC(=O)Nc1cc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
CC(=O)Oc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Oc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
CCOc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
Nc1nc2c(cccc2n2c1nn(-c1ccc(cc1)[N+]([O-])=O)c2=O)[N+]([O-])=O
Nc1nc2c(cccc2n2c1nn(-c1ccc(O)cc1)c2=O)[N+]([O-])=O
Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=O
CCOc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
[O-][N+](=O)c1ccc(cc1)-n1nc2n(c3cccc([N+]([O-])=O)c3[nH]c2=O)c1=O
COc1ccc(cc1)-n1nc2c(N)nc3c(N)cccc3n2c1=O
Nc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
CN(C)c1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Nc1nc2ccccc2n2c1nn(-c1ccc(O)cc1)c2=O
Nc1cccc2c1[nH]c(=O)c1nn(-c3ccc(O)cc3)c(=O)n21
Nc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Nc1nc2c(N)cccc2n2c1nn(-c1ccc(O)cc1)c2=O
Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(O)cc2)c1C#N
COc1cccc(c1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccccc2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(N)n(C)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3C(F)(F)F)cc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(O)=O)nn1C
CCCn1c2nc(-c3ccc(N)cc3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccc(F)cc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cn2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(O)c(OC)c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)[C@@H](C)c2ccccc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)CCC(O)=O)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(F)c(F)c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(Cl)cc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Nc2ccc(OC)cc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)CCCN)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Nc2ccc(cc2)N(C)C)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)no1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)no1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccccc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)nn1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Nc2cccc(OC)c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(Cc3ccccc3)CC2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cccc(Cl)c2)nn1C
CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)n(C)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(C)CC)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccncc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)[C@H](C)c2ccccc2)nn1C
CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C(O)=O)n(C)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(CC(C)C)cc2)nn1C
CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)n(C)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)nc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)cc2)no1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)n(C)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cccc(F)c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(cc2)N(C)C)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(C)=O)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(N)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(O)cc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)N2CCOCC2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cccc(OC)c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(cc2)C(F)(F)F)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(F)cc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(C)CC2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(cc2)[N+]([O-])=O)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Nc2cccc(Cl)c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)cc2)nn1C
Cn1nc(NC(=O)Cc2ccccc2)cc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1nc(cc1N)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(=O)OCC)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc3OCOc3c2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(=O)Cc2ccccc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3cccc(c3)C(F)(F)F)cc2)nn1C
CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)nn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(=O)Nc2cccc(OC)c2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)no1
COC(=Cc1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)C=Cc2cnc[nH]2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc12 |w:20.21,3.3|
Nc1nc(Br)cn2cc(nc12)-c1ccccc1
Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
COc1ccc(cc1)-c1cn2cc(nc(N)c2n1)-c1ccccc1
Nc1nc(cn2cc(nc12)-c1ccco1)-c1ccccc1
Nc1nc(Br)cn2cc(nc12)-c1ccco1
Nc1nc(cn2cc(nc12)-c1ccco1)-c1ccco1
Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(CSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(NCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(CSc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(Cl)cc3Cl)ncnc12 |r|
CCNC(O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3cc(C)on3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccccn3)ncnc12
CCNC(=O)[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ncccn3)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CCCc1ccccc1 |r|
N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1
[O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N
N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1
N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1
N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1
Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N
Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Cl)cc3)nc12
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12
CNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
CCCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1ccccn1
CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1cccnc1
CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1nc2ccccc2o1
CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc2ccccc2n1
CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccncc1
CCCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1nccc2ccccc12
CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1
COc1ccc(cc1)-c1cnn(c1)-c1nc(NCc2cccc(I)c2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
CCCNS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NC3CCCCC3)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NCC)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccc(OC)cc3)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CCCC3)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)ncnc12 |r,TLB:38:37:40:33.32.34,38:33:40:37.39.36,THB:36:35:32:37.39.38,36:37:32:35.40.34|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NC(C)(C)C)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NC3CCCC3)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CC=CC3)ncnc12 |r,c:34|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(C)C(C)C)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(CCCl)CCCl)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(CC)CC)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(CC=C)CC=C)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(C)C)ncnc12 |r|
CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(C)CC=C)ncnc12 |r|
CCCCCNS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NCc3ccccc3)ncnc12 |r|
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc3OCOc3c2)s1
COc1cc(cc(OC)c1OC)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(c2)-c2cccs2)s1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2-c2cc3ccccc3o2)s1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(F)c2)s1
COc1ccc(-c2ccc-3c(Cc4sc([NH3+])nc-34)c2)c(OC)c1OC
COc1cccc(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(c2)C(F)(F)F)s1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(c2)[N+]([O-])=O)s1
Cc1cc(Cl)cc(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2F)s1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(O)c2)s1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc3ccccc23)s1
COc1ccc(cc1OC)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(F)cc2)s1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2)s1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2[N+]([O-])=O)s1
COc1ccccc1-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
C[N+](C)(C)c1nc-2c(Cc3cc(ccc-23)-c2ccc(Oc3ccccc3)cc2)s1
Cc1ccc(cc1C)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2-c2cccs2)s1
CN(C)c1ccc(cc1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(cc2)C(F)(F)F)s1
Cc1ccc(C)c(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Cc1ccccc1-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Cc1cccc(c1)-c1ccc-2c(Cc3sc(nc-23)[N+](C)(C)C)c1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc3ccccc3c2)s1
COc1ccc(c(OC)c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
COc1ccc(cc1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(Cl)c2)s1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2C(F)(F)F)s1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(O)cc2)s1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2Cl)s1
COc1cc2ccccc2cc1-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Cc1cc(C)cc(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
[NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(Cl)c(Cl)c2)s1
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
C[C@@]1(O)[C@@H](CO)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
Nc1nc(NC[C@H]2CCCN2Cc2cc(Cl)cc(Cl)c2)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2ccc(F)cc2F)nc2nc(nn12)-c1ccco1
Cn1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1
Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)cc2Cl)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2c(F)cc(F)cc2F)nc2nc(nn12)-c1ccco1
Cc1cccc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)c1
Nc1nc(NC[C@H]2CCCN2Cc2cc(F)c(F)cc2F)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2cc(ccc2F)C(F)(F)F)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2ccco2)nc2nc(nn12)-c1ccco1
Cc1noc(C)c1CN1CCC[C@@H]1CNc1nc(N)n2nc(nc2n1)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)cc2)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2ccc(cc2F)C(F)(F)F)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2c(F)cccc2F)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2cccnc2)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2cc3ccccc3o2)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2cc(F)cc(F)c2)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2cccc(F)c2)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2F)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2F)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2c(F)c(Cl)ccc2C(F)(F)F)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2ccc3ccccc3n2)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)o2)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2Cl)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2cc(F)ccc2F)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2ccccn2)nc2nc(nn12)-c1ccco1
Nc1nc(NC[C@H]2CCCN2Cc2cccc(F)c2F)nc2nc(nn12)-c1ccco1
COc1cccc(c1)-c1c(C#N)c(N)nc(SCCO)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2cccc(O)c2)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2ccc(OC(F)F)cc2)c1C#N
Cc1ccc(cc1)-c1c(C#N)c(N)nc(SCCO)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2cccc(F)c2)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2cccc(OC(F)F)c2)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2ccc(cc2)C(F)(F)F)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2ccccc2)c1C#N
CN(C)c1ccc(cc1)-c1c(C#N)c(N)nc(SCCO)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2cccc(OC(F)(F)F)c2)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2ccc(O)cc2)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2ccc(F)cc2)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2cccc(c2)C(F)(F)F)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2ccc(OC(F)(F)F)cc2)c1C#N
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCCO)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
Cc1cccc(c1)-c1c(C#N)c(N)nc(SCCO)c1C#N
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1CC(C)(C)N([O])C(C)(C)C1 |^1:23|
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1=CC(C)(C)N([O])C1(C)C |t:19,^1:23|
CCCn1c(=O)n(CC2=CC(C)(C)N([O])C2(C)C)c2[nH]c(nc2c1=O)C1CCCC1 |t:8,^1:14|
CCCn1c(=O)n(Cc2ccccc2)c2nc([nH]c2c1=O)C1CCCC1
CCCc1c(O)c2[nH]c(nc2[nH]c1=O)-c1ccc(OCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1 |^1:29|
Cc1cc2n(C)c(nc2c(N)n1)-n1nccn1
CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Cn1c(nc2c(N)nc(CCc3ccccc3)nc12)-n1nccn1
Cn1c(nc2c(N)ncnc12)-n1nccn1
CC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
Cc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Cn1c(nc2c(N)nccc12)-n1nccn1
CCc1nc2c3[nH]c(C)nc3c3nc(C)[nH]c3c2[nH]1
c1ccc2nc(cnc2c1)-c1nc2ccncc2[nH]1
COc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
Oc1c2nnnc2nc2sccn12
CCc1nc2c3nc(C)[nH]c3c3nc(CC)[nH]c3c2[nH]1
Clc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
[O-][N+](=O)c1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
c1ccc2nc(cnc2c1)-c1nc2ncccc2[nH]1
c1ccc2nc(cnc2c1)-c1nc2ncncc2[nH]1
Clc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Clc1cc(Cl)c2[nH]c(nc2c1)-c1cnc2ccccc2n1
Cc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
O=c1n2CCSc2nc2nn[nH]c12
O=c1n2CCCSc2nc2nn[nH]c12
Cc1cc2nc([nH]c2cc1C)-c1cnc2ccccc2n1
CSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
CCc1nc2c([nH]1)c1nc(CC)[nH]c1c1nc(CC)[nH]c21
Cc1cc(Cl)cc2[nH]c(nc12)-c1cnc2ccccc2n1
Cn1cc2c(n1)nc(NC(=O)Nc1ccccn1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc[n+](C)c1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1cc[n+]([O-])cc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccco1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc3ccccc3n1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)[NH+]=c1ccn(C)cc1)n1nc(nc21)-c1ccco1 |(-10.58,-30.28,;-9.82,-28.94,;-8.3,-28.76,;-7.99,-27.26,;-9.33,-26.5,;-10.46,-27.54,;-9.32,-24.95,;-7.99,-24.17,;-7.99,-22.62,;-6.66,-21.85,;-6.66,-20.31,;-5.32,-22.62,;-3.98,-21.85,;-3.98,-20.32,;-2.65,-19.55,;-1.31,-20.32,;.02,-19.54,;-1.3,-21.86,;-2.64,-22.63,;-6.66,-24.95,;-5.19,-24.47,;-4.29,-25.71,;-5.19,-26.96,;-6.66,-26.49,;-2.74,-25.71,;-1.84,-24.46,;-.38,-24.91,;-.37,-26.48,;-1.83,-26.96,)|
Cn1cc2c(n1)nc(NC(=O)[NH+]=c1ccccn1C)n1nc(nc21)-c1ccco1 |w:11.11|
Cn1cc2c(n1)nc(NC(=O)Nc1cccnc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1cccc[n+]1[O-])n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1cc3ccccc3o1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)Nc1ccoc1)n1nc(nc21)-c1ccco1
Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)s1
Cn1cc2c(n1)nc(NC(=O)Nc1ccc[n+]([O-])c1)n1nc(nc21)-c1ccco1
Cc1sccc1NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1cccc(c1)[N+]([O-])=O
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(O)CCCCC1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCC(C)O
CCCCCCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(N)CCCCC1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(I)nc12
CCCCC[C@@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCCCCO
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCc1ccccc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(O)CCCC1
CCCCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)C1CCCC1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccc(OC)cc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1=CCCCC1 |t:29|
CCCCC[C@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1cccc(OC)c1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1cccc(c1)C(O)=O
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#C[C@@H](C)O
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1cccc(c1)C(=O)OC
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#Cc1ccc(OC)cc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1OC
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)C1CCCCC1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1[N+]([O-])=O
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#C[C@H](C)O
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCCO
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCCCc1ccccc1
CCN(CC)CCSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N |(30.4,-.59,;29.07,-1.36,;29.07,-2.9,;30.41,-3.67,;31.74,-2.89,;27.74,-3.68,;26.41,-2.92,;26.41,-1.38,;25.07,-.61,;23.74,-1.38,;22.4,-.61,;21.07,-1.38,;22.41,.93,;21.07,1.7,;19.74,2.48,;23.73,1.7,;23.73,3.24,;22.39,4,;22.38,5.54,;23.72,6.32,;25.05,5.55,;25.06,4.01,;26.39,3.24,;25.07,.94,;26.4,1.72,;27.73,2.49,)|
CCc1nn(C2CCCC2)c-2c1CCn1c(nnc-21)-c1cccs1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3nc(cn3C)[N+]([O-])=O)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(Cl)cc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)s3)nc(Cl)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccs3)nc(Cl)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc[nH]3)nc(Cl)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccnc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)o3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3sccc3C)nc(Cl)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cc(on3)-c3ccccc3)nc(Cl)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)Cc3cccs3)nc(Cl)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccsc3)nc(Cl)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccccc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cc(C)on3)nc(Cl)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)nc(Cl)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)s3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(Br)o3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccccc3)nc(Cl)nc12 |r|
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(cc1)C(C)=O
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1
CCCCCc1ccc(cc1)C#Cc1nc(NOC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CONc1nc(I)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(F)cc1
CONc1nc(nc2n(cnc12)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(cc1)C(C)=O
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(C)cc1
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(I)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(cc1)C(C)=O
CCCCCc1ccc(cc1)C#Cc1nc(NOC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
CCCCC#Cc1nc(NOC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1cccc(c1)C(F)(F)F
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccncc1
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#C
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(CC#N)cc1
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(C)cc1
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCC(C)O
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(cc1)C(N)=O
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccn1
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCCC#N
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1cccnc1
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(C)cc1
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(OC)cc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1
CCC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(I)nc12
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1CCCCC1O
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#C[Si](C)(C)C
CCCCCc1ccc(cc1)C#Cc1nc(NOC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2n1
Nc1nc(OCCc2c[nH]c3ccc(Cl)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
C[C@@H](CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Nc1nc(OCCc2c[nH]c3ccc(I)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2c[nH]c3cccc(Br)c23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2ccccc2F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(OCCc3c[nH]c4ccccc34)nc12
Nc1nc(OCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2c[nH]c3ccc(F)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2cc3ccccc3[nH]2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2c[nH]c3c(Br)cccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2c[nH]c3ccc(Br)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2cccc(F)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2ccc3ccccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2c[nH]c3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2ccsc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(OCCc2cccs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
COc1ccc2[nH]c(C)c(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
Nc1nc(OCCc2cc[nH]c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
NC[C@H]1CC[C@H]2CN(CCN2C1)c1cc2nc(nn2c(N)n1)-c1ccco1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccncc3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3ccccc3)CCC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccccc3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3cc4ccccc4cn3)CC[C@H]2C1 |r|
COc1ccc(OC[C@H]2CC[C@H]3CN(CCN3C2)c2nc(N)n3nc(nc3n2)-c2ccco2)cc1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccncc3)CC[C@H]2C1 |r|
Nc1nc(NC[C@@H]2CC[C@@H]3CN(CCN3C2)c2cc(F)cc(F)c2)nc2nc(nn12)-c1ccco1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3ccnc3)CC[C@H]2C1 |r|
Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](CO)CCC[C@H]2C1 |r|
NC[C@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1 |r|
Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CO)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccnc3)CC[C@H]2C1 |r|
Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2CCCCC2C1
Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNc3ncccn3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccco3)Cc3ccco3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc(F)c3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ncnc4ccccc34)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2CCCCC2C1
Nc1nc(NC[C@@H]2CC[C@@H]3CN(CCN3C2)c2ncccn2)nc2nc(nn12)-c1ccco1 |r|
COC(=O)c1nc(Cl)c(nc1N)N1CCN2C[C@H](CNc3nc(N)n4nc(nc4n3)-c3ccco3)CC[C@@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccn3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ncnc4ccccc34)CC[C@H]2C1 |r|
Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)cc2nc(nn12)-c1ccco1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3cccc4cnccc34)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc4cnccc34)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccc(F)cc3F)Cc3ccc(F)cc3F)CC[C@H]2C1 |r|
COc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2nc(N)n3nc(nc3n2)-c2ccco2)cc1 |r|
Cn1nc(c(CN2CCN3C[C@@H](CNc4nc(N)n5nc(nc5n4)-c4ccco4)CC[C@@H]3C2)c1Cl)C(F)(F)F |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNc3ncccn3)CC[C@H]2C1 |r|
Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CO)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ncnc4n[nH]cc34)CC[C@@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccc4ccccc4n3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccncc3)Cc3ccncc3)CC[C@H]2C1 |r|
Cc1nn(C)c(Cl)c1CNC[C@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccc4ncccc4c3)CC[C@H]2C1 |r|
NC[C@@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1 |r|
Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2[C@@H](CO)CCC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CNc3ncccn3)CC[C@H]2C1 |r|
Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3cccnc3)CCC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CO)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3cncn3)CC[C@H]2C1 |r|
NC[C@@H]1CC[C@H]2CN(CCN2C1)c1cc(N)n2nc(nc2n1)-c1ccco1 |r|
Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CO)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CO)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNCc3ccc(F)cc3F)CC[C@H]2C1 |r|
Nc1nc(NC[C@H]2CC[C@@H]3CN(CCN3C2)c2ncccn2)nc2nc(nn12)-c1ccco1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3cccc(F)c3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccc(F)cc3F)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccc3F)CC[C@H]2C1 |r|
NC[C@H]1CC[C@H]2CN(CCN2C1)c1cc(N)n2nc(nc2n1)-c1ccco1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 |r|
Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)nc2nc(nn12)-c1ccco1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNCc3cccnc3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccc(F)cc3)CC[C@H]2C1 |r|
Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3ccc4[nH]ccc4c3)CCC[C@H]2C1 |r|
Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CO)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2CCC[C@H]2C1 |r|
Cc1nn(C)c(Cl)c1CN(C[C@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1)Cc1c(C)nn(C)c1Cl |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3cnnn3)CC[C@H]2C1 |r|
Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3ccc4cccnc4c3)CCC[C@H]2C1 |r|
Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccc3)CC[C@H]2C1 |r|
Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2CCCCC2C1
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccc3)CC[C@H]2C1 |r|
Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2CCC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CN(Cc3cccnc3)Cc3cccnc3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccccn3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccccn3)Cc3ccccn3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNCc3ccncc3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3cccnc3)Cc3cccnc3)CC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](CO)CCC[C@H]2C1 |r|
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cc4ccccc4cn3)CC[C@H]2C1 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)nc(Cl)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccc(OC)cc4)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc5OCOc5c4)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)nc(Cl)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccncc4)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(cc4)C(C)(C)C)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4cc(OC)cc(OC)c4)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)c(OC)c4)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NC4CCCCC4)cc3)nc(Cl)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NC4CCCCC4)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)nc(Cl)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(cc4)N4CCOCC4)cc3)ncnc12
Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
COc1ccc(cc1)-c1nn2c(N)nc3ccccc3n2c1=O
COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccc(Cl)cc1)c2=O
Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O
COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(C)cc1)c2=O
Clc1ccc2[nH]c(=O)n3nc(-c4ccccc4)c(=O)n3c2c1
Cc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
Cc1ccc(cc1)-c1nn2n(c3cc(Cl)ccc3[nH]c2=O)c1=O
Nc1nc2ccccc2n2n1nc(-c1ccc(F)cc1)c2=O
Clc1cccc(c1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
COc1ccc(NC(=O)Nc2nc3ccccc3n3n2nc(-c2ccccc2)c3=O)cc1
Cc1ccc(cc1)-c1nn2c(NC(=O)c3cccc(Cl)c3)nc3ccccc3n2c1=O
Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(Cl)cc1)c2=O
Cc1ccc(cc1)-c1nn2c(N)nc3ccc(Cl)cc3n2c1=O
O=C(NCc1ccccc1)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
COc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
Cc1ccc(cc1)-c1nn2c(N)nc3ccccc3n2c1=O
Clc1cccc(c1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O
Fc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O
Clc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1
Clc1ccc(cc1)-c1nn2n(c3cc(Cl)ccc3[nH]c2=O)c1=O
O=C(Nc1ccccc1)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
O=C(Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccc(C)cc1)c2=O
Nc1nc2ccccc2n2n1nc(-c1ccc(Cl)cc1)c2=O
O=c1c(nn2n1c1ccccc1[nH]c2=O)-c1ccccc1
Clc1cccc(NC(=O)Nc2nc3ccccc3n3n2nc(-c2ccccc2)c3=O)c1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@@H]4CC[C@@H]3N4C(=O)OCc3ccccc3Cl)ncnc12 |TLB:14:15:21:18.19,THB:22:21:15.16:18.19|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCN(C3)C(=O)OCc3ccccc3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@@H]4CC[C@@H]3N4C(=O)OCc3ccccc3Br)ncnc12 |TLB:14:15:21:18.19,THB:22:21:15.16:18.19|
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |TLB:5:7:12.13:9.10,THB:14:12:7:9.10|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@@H]4CC[C@@H]3N4C(=O)OCc3ccccc3)ncnc12 |TLB:14:15:21:18.19,THB:22:21:15.16:18.19|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3N4)ncnc12 |w:17.23,20.20,15.15,TEB:14:15:21:18.19|
CC(C)(C)OC(=O)N1CC[C@H](C1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCSC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CC[Se]C3)ncnc12
CC(=O)N1CC[C@H](C1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
COc1ccc2cncc(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)c2c1
CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O
CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NC2CCCC2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
CCCNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
CCCNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O
CCCNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12
CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NC2CCCC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12
C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NC2CCCC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12
C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NC2CCCC2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O
CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O
OCC1CC=CC1n1cnc2c(NCc3ccccc3I)ncnc12 |w:2.1,6.7,c:4|
OCC1CC=CC1n1cnc2c(NC3CCCC3)ncnc12 |w:6.7,2.1,c:4|
OCC1CC=CC1n1cnc2c(NC3CC3)ncnc12 |w:6.7,2.1,c:4|
CNC(=O)C1CC=CC1n1cnc2c(NCc3ccccc3I)ncnc12 |w:4.3,8.9,c:6|
CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12
CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12
CN(CCO)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Nc1cc(c(s1)-c1ccc(cc1)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cccc(c1)C(F)(F)F |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3ccc(cc3)-c3sc(N)c(C(=O)c4ccccc4)c3-c3cccc(c3)C(F)(F)F)ncnc12 |r|
Nc1ccc(s1)-c1cccc(c1)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC(=O)Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCCCCNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCCCCNc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3ccc(cc3)-c3scc(C(=O)c4ccccc4)c3-c3cccc(c3)C(F)(F)F)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3cccc(c3)-c3cc(cs3)C(=O)c3ccccc3)ncnc12 |r|
Nc1sc(cc1C(=O)c1ccccc1)-c1ccc(cc1)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1cccc(c1)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3cccc(c3)-c3cccs3)ncnc12 |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccccc1C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3ccc(cc3)-c3sccc3-c3cccc(c3)C(F)(F)F)ncnc12 |r|
O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C1CC1
CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1
CCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1
O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C1CCCC1
Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1
Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
O=C(Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1)C1CCCC1
Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1
Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1
Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
Cc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
Clc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CC1
CC(C)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
CCC(CC)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1
O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1)C1CCCC1
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1
CCC(CC)C(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccccc1
CCCC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccccc1
Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccccc1
O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CCCC1
O=C(Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1)C1CC1
O=C(Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1)C1CCCC1
CCC(CC)C(=O)Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
O=C(Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccccc1)C1CCCC1
CCCC(=O)Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1
CCCC(=O)Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1
C[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:21.23,23.24,THB:15:16:21.23:19,TEB:22:21:19:17.16,22:23:19:17.16|
CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:21.23,23.24,THB:15:16:21.23:19,TEB:22:21:19:17.16,22:23:19:17.16|
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:20.22,22.23,THB:14:15:20.22:18,TEB:21:20:18:16.15,21:22:18:16.15|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:23.25,25.26,THB:17:18:23.25:21,TEB:24:23:21:19.18,24:25:21:19.18|
CN(C)C(=S)O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:24.26,26.27,THB:18:19:24.26:22,TEB:25:24:22:20.19,25:26:22:20.19|
CNC(=O)O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |THB:24:23:21:19.18,24:25:21:19.18,17:18:23.25:21|
CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:16:17:21.20:23|
CC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:17:18:22.21:24|
CCCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:17:18:22.21:24|
CNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:15:16:20.19:22|
NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:14:15:19.18:21|
C[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:15:16:20.19:22|
O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:21:22:26.25:28|
CCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:17:18:22.21:24|
CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:16:17:21.20:23|
CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:15:16:20.19:22|
O[C@@H]1[C@@H](CS)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:14:15:19.18:21|
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:14:15:19.18:21|
O[C@@H]1[C@@H](CF)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:14:15:19.18:21|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(CC(C)C)cc2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(cc2)N(C)C)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(OC)cc2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(C)cc2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(I)cc2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Br)cc2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Cl)cc2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(F)cc2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccccc2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1I
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Br
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Cl
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccn(CC(=O)Nc2ccc(Cl)cc2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(CC)n(CC(=O)Nc2ccc(Cl)cc2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc3ccccc23)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(C)c(C)c2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(OC)c(OC)c2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(Cl)c2)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(OC)c2)n1
NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)N4CCCC4)cc3)nc(OCCc3c[nH]c4cc(Br)ccc34)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)nc(OCCc3c[nH]c4cc(Br)ccc34)nc12
CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)c1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccc(cc2)C(F)(F)F)c1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1ccc[n+]([O-])c1
CCn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(c1)-c1ccc(nc1)C(F)(F)F
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1ccc(nc1)C(F)(F)F
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1ccccn1
CCn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
CCn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cn[nH]c1
CCn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cn[nH]c1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
Cn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Cn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2ccccc2)c1
CC(C)Cn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
CC(C)Cn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
CC(C)Cn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cn[nH]c1
CCCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
CCCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1
CCn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(c1)-c1ccc(nc1)C(F)(F)F
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1ccc(C)nc1
CCn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
CCn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2ccccc2)c1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
Cn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2cccc(F)c2)c1
CC(C)Cn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
CCCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
O[C@@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r|
c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@H]3CCCCN3)O
FC(F)(F)c1nc(C(=O)c2ccccn2)c2sccc2n1
FC(F)(F)c1nc(C(=O)c2ccccc2)c2sccc2n1
OC(c1ccccc1)c1nc(nc2ccccc12)C(F)(F)F |w:1.0|
OC(c1ccccc1)c1cc(nc2ccccc12)C(F)(F)F |w:1.0|
CN(C)c1nc(C(=O)c2cccs2)c2sccc2n1
Nc1nc(C(=O)c2cccs2)c2sccc2n1
FC(F)(F)c1nc(C(=O)c2nccs2)c2sccc2n1
FC(F)(F)c1nc(C(=O)c2ccco2)c2sccc2n1
FC(F)(F)c1nc(C(=O)c2ccncc2)c2sccc2n1
OC(c1ccccc1)c1nc(nc2ccsc12)C(F)(F)F |w:1.0|
c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@@H]3CCCCN3)O
OCCCNc1nc(C(=O)c2cccs2)c2sccc2n1
OCCNc1nc(C(=O)c2cccs2)c2sccc2n1
O=C(c1cccs1)c1nc(NCc2ccccc2)nc2ccsc12
CCNc1nc(C(=O)c2cccs2)c2sccc2n1
NNc1nc(C(=O)c2cccs2)c2sccc2n1
COc1nc(C(=O)c2cccs2)c2sccc2n1
CCc1nc(C(=O)c2cccs2)c2sccc2n1
Cc1nc(C(=O)c2cccs2)c2sccc2n1
Cc1ccc(o1)C(=O)c1nc(nc2ccsc12)C(F)(F)F
FC(F)(F)c1nc(C(=O)c2ccoc2)c2sccc2n1
FC(F)(F)c1nc(C(=O)c2ccsc2)c2sccc2n1
FC(F)(F)c1nc(C(=O)c2cccs2)c2sccc2n1
FC(F)(F)c1nc(C(=O)c2ccc[nH]2)c2sccc2n1
FC(F)(F)c1nc(C(=O)c2cccnc2)c2sccc2n1
CCc1nc(-c2cccc(C)n2)c2sccc2n1
CCc1nc(-c2ccccn2)c2sccc2n1
CCc1nc(-n2nccn2)c2sccc2n1
CCc1nc(-c2ncc[nH]2)c2sccc2n1
CNc1nc(-c2ccco2)c2sccc2n1
Nc1nc(-c2ccco2)c2sccc2n1
CN(C)c1nc(-c2cc3ccccc3s2)c2sccc2n1
CCc1nc(-c2nc(C)cs2)c2sccc2n1
CCc1nc(-c2nccs2)c2sccc2n1
CCc1nc(-c2ccoc2)c2sccc2n1
CCc1nc(-c2ccco2)c2sccc2n1
OCCNc1nc(-c2cccs2)c2sccc2n1
CN(C)c1nc(-c2cccs2)c2sccc2n1
CCNc1nc(-c2cccs2)c2sccc2n1
COc1nc(-c2cccs2)c2sccc2n1
CCc1nc(-c2cccs2)c2sccc2n1
OC[C@@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1
C1CC1c1nc(-c2nccs2)c2sccc2n1
CN(C)c1nc(-c2ccc(C)cn2)c2sccc2n1
CN(C)c1nc(-c2nccn2C)c2sccc2n1
Clc1nc(-c2cccs2)c2sccc2n1
OC[C@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1
OCCNc1nc(-c2nccs2)c2sccc2n1
CC(C)(C)c1nc(-c2nccs2)c2sccc2n1
Clc1nc(-c2nccs2)c2sccc2n1
CN(C)c1nc(-c2cnccn2)c2sccc2n1
CN(C)c1nc(-c2ccccn2)c2sccc2n1
CN(C)c1nc(-c2cn[nH]c2)c2sccc2n1
CN(C)c1nc(-c2ncc[nH]2)c2sccc2n1
CN(C)c1nc(-c2nc(C)c(C)s2)c2sccc2n1
CN(C)c1nc(-c2ncc(C)s2)c2sccc2n1
Nc1nc(-c2nccs2)c2sccc2n1
CN(C)c1nc(-c2nccs2)c2sccc2n1
OCCNc1nc(-c2ccco2)c2sccc2n1
CN(C)c1nc(-c2ccco2)c2sccc2n1
CCNc1nc(-c2ccco2)c2sccc2n1
CN(C)c1nc(-c2nc(C)cs2)c2sccc2n1
CN(C)c1nc(-c2ccoc2)c2sccc2n1
CS(=O)(=O)c1ccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)cc1
Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cccc3F)c2n1
Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3F)c2n1
Nc1cccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)c1
Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3)[N+]([O-])=O)c2n1
Nc1nc(-c2ccco2)c2ncn(Cc3cccc(c3)[N+]([O-])=O)c2n1
COC(=O)c1cccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)c1
COc1cccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)c1
Nc1nc(-c2ccco2)c2ncn(Cc3cccc(Cl)c3)c2n1
Cc1cccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)c1
Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3)c2n1
Nc1nc(-c2ncc[nH]2)c2cnn(Cc3ccccc3F)c2n1
Cn1ccnc1-c1nc(N)nc2n(Cc3ccccc3F)ncc12
Nc1nc(-n2ccnn2)c2cnn(Cc3ccccc3F)c2n1
Nc1nc(-c2nccs2)c2cnn(Cc3ccccc3F)c2n1
Nc1nc(-c2cc[nH]n2)c2cnn(Cc3ccccc3F)c2n1
Nc1nc(-c2ccccn2)c2cnn(Cc3ccccc3F)c2n1
Nc1nc(-c2cccs2)c2cnn(Cc3ccccc3F)c2n1
CS(=O)(=O)c1ccc(Cn2ncc3c(nc(N)nc23)-c2ccco2)cc1
Nc1nc(-c2ccco2)c2cnn(Cc3ccc(cc3)C(F)(F)F)c2n1
Nc1nc(-c2ccco2)c2cnn(Cc3c(F)cccc3F)c2n1
Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3F)c2n1
Nc1nc(-c2ccco2)c2cnn(Cc3cccc(c3)C(O)=O)c2n1
Nc1cccc(Cn2ncc3c(nc(N)nc23)-c2ccco2)c1
Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3N)c2n1
Nc1nc(-c2ccco2)c2cnn(Cc3ccc(cc3)[N+]([O-])=O)c2n1
Nc1nc(-c2ccco2)c2cnn(Cc3cccc(c3)[N+]([O-])=O)c2n1
Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3[N+]([O-])=O)c2n1
COC(=O)c1cccc(Cn2ncc3c(nc(N)nc23)-c2ccco2)c1
COc1cccc(Cn2ncc3c(nc(N)nc23)-c2ccco2)c1
Nc1nc(-c2ccco2)c2cnn(Cc3cccc(Cl)c3)c2n1
Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3Cl)c2n1
Cc1cccc(Cn2ncc3c(nc(N)nc23)-c2ccco2)c1
CN(C)c1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1
OCCNc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1
Nc1nc(-c2ccco2)c2cnn(C(=O)NCc3ccccc3)c2n1
Nc1nc(-c2ccco2)c2cnn(CCCc3ccccc3)c2n1
Nc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1
Nc1nc(-c2ccco2)c2cnn(Cc3ccco3)c2n1
Nc1nc(-c2ccco2)c2cnn(Cc3cccnc3)c2n1
Nc1nc(-c2ccco2)c2cnn(CC3CCCCC3)c2n1
Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3)c2n1
Nc1nc(-c2ccco2)c2ccn(Cc3ccccc3F)c2n1
Cc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1
CN(C)c1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1
COc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1
Nc1nc(-c2cncs2)c2ncn(C(=O)NCc3ccccc3)c2n1
Nc1nc(-c2cccs2)c2ncn(C(=O)NCc3ccccc3)c2n1
Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3Cl)c2n1
Cc1ccc(CNC(=O)n2cnc3c(nc(N)nc23)-c2ccco2)cc1
Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccc(F)cc3)c2n1
C[C@@H](NC(=O)n1cnc2c(nc(N)nc12)-c1ccco1)c1ccccc1
C[C@H](NC(=O)n1cnc2c(nc(N)nc12)-c1ccco1)c1ccccc1
Nc1nc(-c2ccco2)c2ncn(C(=O)Nc3ccccc3)c2n1
CSc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1
Nc1nc(-c2ccccc2)c2ncn(C(=O)NCc3ccccc3)c2n1
Cc1cccc(CNC(=O)n2cnc3c(nc(N)nc23)-c2ccco2)c1
Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3cccs3)c2n1
Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1
Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3)C(F)(F)F)c2n1
Nc1nc(-c2ccco2)c2ncn(Cc3cccc(c3)C(O)=O)c2n1
Cc1cc2[nH]c3cnccc3c2c(C)c1O
Cc1cc2n(C)c3c[n+](C)ccc3c2c(C)c1O
Cc1cc2[nH]c3c[n+](C)ccc3c2c(C)c1O
Cc1cc2n(C)c3cccnc3c2c(C)c1O
Cc1cc2[nH]c3cccnc3c2c(C)c1O
Cc1cc2n(C)c3cnccc3c2c(C)c1O
CC(=O)[C@@H]1c2cc(O)cc(O)c2C(=O)C[C@]1(C)O |r|
CC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
CC(=O)[C@@H]1c2cc(O)cc(O)c2C(=O)C[C@@]1(C)O |r|
CC(=O)Cc1cc(O)cc2oc(CO)cc(=O)c12
Nc1nc(cc(-c2ccccc2)c1C#N)-c1ccco1
Nc1nc(cc(-c2ccc(O)cc2)c1C#N)-c1ccccc1
Cc1cccc(c1)-c1cc(nc(N)c1C#N)-c1ccccc1
Nc1nc(cc(-c2cccc(OC(F)(F)F)c2)c1C#N)-c1ccccc1
Nc1nc(cc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1
COc1ccc(cc1OC)-c1cc(nc(N)c1C#N)-c1ccccc1
Nc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1
Cc1cccc(c1)-c1cc(nc(N)c1C#N)-c1ccco1
Nc1nc(cc(-c2cccc(OC(F)(F)F)c2)c1C#N)-c1ccco1
Nc1nc(cc(-c2ccc(O)cc2)c1C#N)-c1ccco1
Nc1nc(cc(-c2ccc3OCOc3c2)c1C#N)-c1ccco1
COc1ccc(cc1OC)-c1cc(nc(N)c1C#N)-c1ccco1
COc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1ccco1
Nc1nc(cc(-c2ccc(Cl)c(Cl)c2)c1C#N)-c1ccco1
Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccco1
Cc1ccc(o1)-c1cc(nc(N)c1C#N)-c1ccco1
Nc1nc(cc(-c2ccco2)c1C#N)-c1ccco1
Nc1nc(cc(-c2cccs2)c1C#N)-c1ccccc1
Nc1nc(cc(-c2ccco2)c1C#N)-c1cccs1
Nc1nc(cc(-c2ccccc2)c1C#N)-c1cccs1
Nc1nc(cc(-c2cccs2)c1C#N)-c1ccco1
Nc1nc(cc(-c2cccs2)c1C#N)-c1cccs1
Nc1nc(cc(-c2ccco2)c1C#N)-c1ccccc1
Nc1ncnc2nc(Br)[nH]c12
Cn1cnc2ncnc(N)c12
Cn1c(Br)nc2c(N)ncnc12
CCn1cnc2ncnc(N)c12
CCn1c2c(c(ncn2)N)nc1Br
CCCn1cnc2c(N)ncnc12
CCCn1cnc2ncnc(N)c12
CCCn1c(Br)nc2c(N)ncnc12
CC(C)n1cnc2c(N)ncnc12
CC(C)n1cnc2ncnc(N)c12
CC(C)n1c(Br)nc2c(N)ncnc12
CCC(C)n1cnc2c(N)ncnc12
CCC(C)n1cnc2ncnc(N)c12
CCC(C)n1c(Br)nc2c(N)ncnc12
CC(C)Cn1cnc2c(N)ncnc12
CC(C)Cn1cnc2ncnc(N)c12
CCCCn1cnc2c(N)ncnc12
CCCCn1c(Br)nc2c(N)ncnc12
Nc1ncnc2n(CCC=C)cnc12
Nc1ncnc2n(CCC=C)c(Br)nc12
Nc1ncnc2n(cnc12)C1CC1
Nc1ncnc2n(CC=C)c(Br)nc12
Nc1ncnc2n(cnc12)C1CCC1
Nc1ncnc2n(C3CCC3)c(Br)nc12
Nc1ncnc2n(C3CCCC3)c(Br)nc12
Nc1ncnc2n(cnc12)C1CCCCC1
Nc1ncnc2n(C3CCCCC3)c(Br)nc12
Nc1ncnc2n(cnc12)C1CCCCCC1
Nc1ncnc2n(C3CCCCCC3)c(Br)nc12
Nc1ncnc2ncn(CCO)c12
Nc1ncnc2n(CCCO)cnc12
Nc1ncnc2ncn(CCCO)c12
c1nc(c2c(n1)n(c(n2)Br)CCCO)N
C[C@@H](Cn1cnc2c1ncnc2N)O
CC(O)Cn1cnc2ncnc(N)c12
CC(O)Cn1c(Br)nc2c(N)ncnc12
Nc1ncnc2n(C[C@H](O)CO)cnc12 |r|
Nc1ncnc2ncn(CC(O)CO)c12
Nc1ncnc2n(CC(O)CO)c(Br)nc12
Nc1ncnc2n(Cc3ccccc3)cnc12
Nc1ncnc2n(Cc3ccccc3)c(Br)nc12
Nc1ncnc2n(CCc3ccccc3)cnc12
Nc1ncnc2n(CCc3ccccc3)c(Br)nc12
Nc1c(cc(Nc2ccc(Nc3ncccn3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)NCCO)cc1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(C)cc2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(C)cc2)CC1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)cc2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)cc2)CC1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
Clc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CC#C)c(=O)c2[nH]1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2nc3cc(Cl)ccc3s2)cc1
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)ncnc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)ncnc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)nc(Cl)nc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccs3)ncnc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(F)c3)nc(Cl)nc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(Cl)cc3F)ncnc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(Cl)cc3F)nc(Cl)nc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccs3)nc(Cl)nc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
[O-][N+](=O)c1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Fc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Clc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Brc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
COc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Oc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Nc1c(nc2ccccn12)-c1ccccc1
Brc1ccc(cc1)-c1cn2ccccc2n1
COc1ccc(cc1)-c1cn2ccccc2n1
c1c(nc2ccccn12)-c1ccccc1
c1cn2ccccc2n1
FC(F)(F)c1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
C1CCC(CC1)Nc1c(nc2ccccn12)-c1ccccc1
Oc1ccc(cc1)-c1cn2ccccc2n1
CCCn1c(=O)n(CCc2ccc(N)cc2)c2ncn(CCN(CC)CCO)c2c1=O
OC1CCC(CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |(25.44,4.86,;24.11,4.15,;24.1,2.61,;22.77,1.85,;21.43,2.63,;21.43,4.16,;22.77,4.93,;20.1,1.87,;20.1,.33,;18.77,-.45,;18.78,-1.98,;20.11,-2.75,;21.42,-1.98,;22.89,-2.46,;23.8,-1.22,;22.9,.03,;21.44,-.44,;17.45,-2.75,;16.11,-1.99,;14.78,-2.75,;14.78,-4.3,;16.11,-5.07,;17.45,-4.3,)|
Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Cc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
Cc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
CS(=O)(=O)c1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
COc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
O=C(Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1)c1ccccc1
CS(=O)(=O)c1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
Cc1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
COc1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
O=C(c1sc(Nc2ccccc2)nc1-c1ccccc1)c1ccccc1
CCOC(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
CCOC(=O)Nc1nc(c(s1)C(=O)c1ccc(OC)cc1)-c1ccccc1
CCOC(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
CNc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
CNc1nc(c(s1)C(=O)c1ccc(OC)cc1)-c1ccccc1
CNc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
COc1cc(cc(OC)c1OC)-c1nc(NC(C)=O)sc1-c1ccncc1
CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1
CCCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1
CCCCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1
C=CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1
S=c1sc2c(ncn3nc(nc23)-c2ccco2)n1-c1ccccc1
Fc1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Clc1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Clc1cccc(c1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Ic1ccccc1-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 |(-4.9,-21.48,;-6.44,-21.47,;-7.21,-20.13,;-8.75,-20.12,;-9.52,-21.46,;-8.75,-22.79,;-7.22,-22.79,;-6.46,-24.12,;-4.99,-24.61,;-3.66,-23.84,;-2.32,-24.6,;-2.32,-26.15,;-1.17,-27.19,;-1.8,-28.6,;-3.34,-28.43,;-3.66,-26.92,;-4.99,-26.15,;-6.46,-26.63,;-7.37,-25.38,;-8.91,-25.37,;-.91,-29.85,;.63,-29.86,;1.09,-31.33,;-.17,-32.22,;-1.41,-31.31,)|
Ic1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Ic1cccc(c1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Cn1cc2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
Cn1cc2c(N)nc(nc2n1)-c1ccccc1
Clc1cccc(c1)C(=O)Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(nc2nn(C)cc12)-c1ccccc1
Cn1cc2c(NC(=O)c3cccc(Cl)c3)nc(nc2n1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1
O=C(Nc1ccccc1)Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1
Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1
CNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
Cn1cc2c(NC(=O)Nc3ccccc3)nc(nc2n1)-c1ccccc1
COc1ccc(NC(=O)Nc2nc(nc3nn(C)cc23)-c2ccccc2)cc1
Cn1cc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc2n1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
Clc1cccc(c1)C(=O)Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
COc1ccc(NC(=O)Nc2nc(nc3nn(Cc4ccccc4)cc23)-c2ccccc2)cc1
Clc1cccc(NC(=O)Nc2nc(nc3nn(Cc4ccccc4)cc23)-c2ccccc2)c1
COc1ccc(NC(=O)Nc2nc(nc3nn(CCc4ccccc4)cc23)-c2ccccc2)cc1
Clc1cccc(NC(=O)Nc2nc(nc3nn(CCc4ccccc4)cc23)-c2ccccc2)c1
O=C(Nc1ncnc2nn(Cc3ccccc3)cc12)c1ccccc1
COc1ccc(cc1)C(=O)Nc1ncnc2nn(Cc3ccccc3)cc12
Clc1cccc(c1)C(=O)Nc1ncnc2nn(Cc3ccccc3)cc12
O=C(Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1)c1ccccc1
O=C(Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1)c1ccccc1
O=C(Nc1ccccc1)Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
COc1ccc(N(CC(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
COc1ccc(N(CC(F)(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
COc1ccc(N(C(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
COc1ccc(N(CCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
COc1ccc(N(CCCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
COCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
COc1ccc(N(CC(O)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
COc1ccc(N(CC(N)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
CNC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
COc1ccc(N(CC(=O)N(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
CCN(C(C)=O)c1ccc(Cl)c2nc(NC(=O)c3ccc(F)cc3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)S(C)(=O)=O)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C#N)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)OC)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN4CCCC4=O)cc3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3ccnc3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3cnnn3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3cccn3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCCCC3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCOCC3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N(C)CCOC)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCN(C)CC3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)NC)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCCC3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cc[nH]c3)sc12
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12
Nn1nc(-c2nccs2)c2sccc2c1=O
CCn1nc(-c2ccccc2)c2sccc2c1=O
CCn1nc(-c2ccccn2)c2sccc2c1=O
CC(C)n1nc(-c2ccccn2)c2sccc2c1=O
CCn1nc(-c2cccs2)c2sccc2c1=O
CCn1nc(-c2nccs2)c2sccc2c1=O
O=c1[nH]nc(-c2nccs2)c2sccc12
Nn1nc(-c2ccccn2)c2sccc2c1=O
Nn1nc(-c2cccs2)c2sccc2c1=O
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
Oc1ccc(cc1)-c1nc2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
CC(C)(C)CC(=O)Nc1ccc(cc1Cl)C(=O)Nc1nccs1
COc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1
Cc1cnc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)s1
CC(C)(C)CC(=O)Nc1ccc(cc1F)C(=O)Nc1nccs1
Cc1cc(cc(Cl)c1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1
Cc1cc(ccc1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1
CC(C)(C)CC(=O)Nc1c(cc(cc1F)C(=O)Nc2nccs2)F
COc1cc(ccc1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1
COc1c(F)c(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1
CC(C)(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1ncc(Cl)s1
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3F)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)nc(Cl)nc12 |r,TLB:13:14:18.17:20|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12 |r|
COc1cc(F)c(F)cc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cc(F)ccc3F)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(OCCF)c3)nc(Cl)nc12 |r|
CC(Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C1CC1 |r|
CCC(CC)Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O |r|
CC(C)Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCCCF)nc(Cl)nc12 |r|
CCNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]4CC[C@H]3C4)nc(Cl)nc12 |r,TLB:13:14:18.17:20|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r|
Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O |r|
Cc1cc(C)cc(c1)-c1nnc(N)nc1-c1ccccc1
Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1
Clc1ccc2n(-c3ccccc3)c3nnc(-c4ccco4)c(=O)n3c2c1
Clc1ccc2n(-c3ccccc3)c3nnc(-c4ccccc4)c(=O)n3c2c1
O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccco1
O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccccc1
Clc1ccc(cc1)-n1c2ccccc2n2c1nnc(-c1ccco1)c2=O
Clc1ccc(cc1)-n1c2ccccc2n2c1nnc(-c1ccccc1)c2=O
O=c1c(nnc2[nH]c3ccccc3n12)-c1ccco1
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O |r|
Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(SCC(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(F)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(N)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(Br)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(NC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(NC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(NC(=O)CCCC[C@H]4CCSS4)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(F)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccccc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(N)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(Br)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(NC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(NC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(NC(=O)CCCC[C@H]4CCSS4)cc3)nc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(F)nc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(NC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)nc12 |r|
COc1cccc2cc(C(N)=O)c(=N)oc12
COCCNC(=O)c1cc2cccc(OC)c2oc1=N
COc1cccc2cc(C(=O)NC3CCCC3)c(=N)oc12
COC(=O)C(=C\c1cccc(OC)c1O)\C#N
COc1cccc2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc5cccc(OC)c5oc4=N)CC3)c(=N)oc12
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(N)cc1 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC(F)(F)F |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCl |r|
CCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCC1 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCCC1 |r|
COc1cccc(COC(=O)c2nn(nc2N)-c2ccccc2)c1
Clc1cccc2nc(NC(=O)c3ccccc3)[nH]c12
COc1ccc(CN2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(cc3)C#N)CC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(cc3)[N+]([O-])=O)CC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3cccnc3)CC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccncc3)CC1)n1nc(nc21)-c1ccco1
CCOC(=O)CN1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCNC(=O)N1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CC(C)NC(=O)N1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NC1CCCC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NC1CCCCC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NC1CCCCCC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccccc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCCc1ccccc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCCCc1ccccc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccc(F)cc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
Cc1ccc(CNC(=O)N2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
COc1ccc(CNC(=O)N2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
CN1CCN(CC1)C(=O)N1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCNCC1)n1nc(nc21)-c1ccco1
CN1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCCN1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC=C)CC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC#C)CC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC3CCCCC3)CC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccccc3)CC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(F)cc3)CC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(Cl)cc3)CC1)n1nc(nc21)-c1ccco1
Cc1ccc(CN2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
C[C@@H](Oc1ccccc1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
Cc1cccc(OCC(=O)Nc2nnc([nH]2)-c2ccccc2)c1
Cc1cc(C)cc(OCC(=O)Nc2nnc([nH]2)-c2ccccc2)c1
C[C@@H](Sc1ccccc1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
O=C(COCc1ccccc1)Nc1nnc([nH]1)-c1ccccc1
Cc1ccc(cc1)-c1nnc(NC(=O)COc2ccccc2)[nH]1
CCCC(=O)Nc1nnc([nH]1)-c1ccccc1
O=C(Nc1nnc([nH]1)-c1ccccc1)C1CCCO1
O=C(Nc1nnc([nH]1)-c1ccccc1)c1ccccc1
Cc1ccc(cc1)C(=O)Nc1nnc([nH]1)-c1ccccc1
COc1ccccc1C(=O)Nc1nnc([nH]1)-c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3OC(=O)C1C3C2 |TLB:22:24:26:19.20,21:20:24.17:26,THB:6:17:26:19.20|
Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCC1
Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCC1
Cn1c2nc3N(CCC4=CCCCC4)CCn3c2c(=O)n(C)c1=O |t:8|
Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(9.82,-12.09,;9.82,-10.55,;11.15,-9.79,;12.61,-10.27,;13.51,-9.02,;14.98,-8.56,;14.99,-7.01,;13.53,-6.53,;12.61,-7.77,;11.15,-8.25,;9.82,-7.47,;9.82,-5.93,;8.49,-8.25,;7.15,-7.48,;8.49,-9.79,;7.16,-10.56,;16.31,-9.32,;16.31,-10.86,;17.63,-11.63,;18.97,-10.87,;20.3,-11.64,;18.97,-9.33,;17.64,-8.55,)|
Cn1c2nc3N(CC4CC4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCC1
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(29.41,-38.04,;29.41,-36.5,;30.74,-35.74,;32.21,-36.22,;33.11,-34.98,;34.64,-34.83,;35.28,-33.42,;34.38,-32.16,;32.84,-32.31,;32.21,-33.72,;30.74,-34.2,;29.41,-33.42,;29.41,-31.89,;28.09,-34.2,;26.75,-33.44,;28.09,-35.74,;26.75,-36.51,;35.53,-36.08,;34.89,-37.48,;35.77,-38.73,;37.3,-38.59,;38.19,-39.85,;37.95,-37.19,;37.06,-35.93,)|
CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r,wU:7.10,wD:4.3,(21.45,-4.6,;20.56,-3.34,;21.2,-1.94,;19.03,-3.48,;18.14,-2.22,;18.78,-.82,;17.89,.44,;16.36,.29,;15.72,-1.11,;16.6,-2.36,;15.47,1.56,;16.11,2.96,;15.21,4.22,;13.67,4.08,;13.03,2.67,;13.93,1.41,;13.03,.17,;11.57,.64,;10.24,-.12,;10.24,-1.66,;8.91,.65,;7.58,-.13,;8.91,2.18,;7.57,2.95,;10.24,2.96,;10.24,4.5,;11.57,2.18,)|
CC1CCCCC1N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3N(CC4CCCCC4)CCCn3c2c(=O)n(C)c1=O
CC(C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
C[C@H](C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r|
C[C@@H](C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r|
Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O |t:8|
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCC1
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:5:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCC1
Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCCC1
CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)|
CC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(18.08,-19.63,;17.5,-18.21,;15.98,-18,;15.39,-16.59,;16.33,-15.37,;17.86,-15.56,;18.44,-16.99,;15.75,-13.95,;16.79,-12.78,;16.52,-11.25,;15.16,-10.49,;13.73,-11.09,;13.3,-12.59,;14.19,-13.86,;13.29,-15.1,;11.82,-14.62,;10.5,-15.38,;10.5,-16.92,;9.17,-14.62,;7.84,-15.39,;9.17,-13.08,;7.83,-12.32,;10.5,-12.31,;10.5,-10.77,;11.82,-13.08,)|
Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC1
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCC1
CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)|
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
CC1CCCCC1N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3N(CC4CCCCC4)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCC4=CCCCC4)CCCCn3c2c(=O)n(C)c1=O |t:8|
Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(F)(F)c1cccnc1
Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)c1cccnc1
Nc1nc2-c3cc(Cc4cnccc4Cl)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(Cc4ccncc4F)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(Cc4cncc(F)c4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(Cc4cncc(c4)C#N)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(Cc4cccnc4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(CN4C5CCC4CC5)ccc3C(=O)c2c(n1)-c1ccccc1
CC1CC[C@@H](C)N1Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 |r|
COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2ccccc2)c1
COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccccc2)cc1
Nc1nc(NCc2cccs2)nc2sc(nc12)-c1cnccn1
COc1ccccc1CNc1nc(N)c2nc(C)sc2n1
COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccccc1
Cc1nc2c(N)nc(NCCc3ccccc3)nc2s1
Cc1nc2c(N)nc(NCCc3cccs3)nc2s1
Nc1nc(NCc2cccs2)nc2sc(nc12)-c1ccccc1
Nc1nc(Nc2ccccc2)nc2sc(nc12)-c1ccccc1
Nc1nc(NCc2ccccc2)nc2sc(nc12)-c1ccccc1
Nc1nc(NCCc2ccccc2)nc2sc(nc12)-c1ccccc1
Nc1nc(NCCc2ccc(O)cc2)nc2sc(nc12)-c1ccccc1
COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1cnccn1
COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2cnccn2)c1
Cc1nc2c(N)nc(Nc3ccccc3)nc2s1
Cc1nc2c(N)nc(NCc3ccccc3)nc2s1
COc1cccc(CNc2nc(N)c3nc(C)sc3n2)c1
Cc1nc2c(N)nc(NCc3cccs3)nc2s1
COP(=O)(OC)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
COP(=O)(OC)O[C@@H]1CCC[C@H]1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OP([O-])([O-])=O)nc(Cl)nc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCC[C@@H]3O)ncnc12 |r|
COP(=O)(OC)OCC(Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(COP([O-])([O-])=O)Cc3ccccc3)nc(Cl)nc12 |r|
OCC(Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCOC(=O)CNP(=O)(NCC(=O)OCC)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H](COP(=O)(OCCc2ccccc2)OCCc2ccccc2)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
CCOP(=O)(OCC)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
COP(=O)(OC)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O
Nc1nc(nc(n1)-c1ccccc1O)-c1ccccc1
Nc1ncc(C#N)c(n1)-c1ccccc1
CC(=O)Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(CC=C)c3=O
COc1nc(N)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(nc12)-n1cc(cn1)C(O)=O |r|
COC(=O)c1cnn(c1)-c1nc(NC(C2CC2)C2CC2)c2ncn([C@@H]3[C@H]4C[C@H]4[C@@H](O)[C@H]3O)c2n1 |r|
NNc1nc(NC(C2CC2)C2CC2)c2ncn([C@@H]3[C@H]4C[C@H]4[C@@H](O)[C@H]3O)c2n1 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(I)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)ncnc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H](C3CC3)c3ccccc3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@@H](CC3CC3)C3CC3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H](CC3CC3)C3CC3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@@H](C3CC3)C3CCC3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H](C3CC3)C3CCC3)nc(Cl)nc12 |r|
CC(C)[C@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C1CC1 |r|
CC(C)[C@@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C1CC1 |r|
CC[C@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C1CC1 |r|
CC[C@@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C1CC1 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCC(C3CC3)C3CC3)nc(Cl)nc12 |r|
CCCn1c2nc(nc2c2NCCn2c1=O)-c1ccc(Br)cc1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
Cc1ccc(cc1)-c1nc(NC(=O)Nc2ccc(F)cc2)c2nnn(Cc3ccccc3F)c2n1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(C)C(C)C)ncnc12 |r|
CNC(=O)[C@@]1(SC[C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]3c3cccc(c3)C(F)(F)F)ncnc12 |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#N |r|
Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(cc2)[N+]([O-])=O)=C(N=C1C)c1ccccc1 |c:30,32|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(nc(NCCc3ccccc3)nc12)C(F)(F)F |r|
COc1ccn2c(c1)nc1n(Cc3ccc(C)cc3)c(=O)n(CC3CC3)c(=O)c21
CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)-c1ccccc1
COc1ccc(cc1)-c1nc2n(n1)c1ccccc1[nH]c2=O
COc1ccc(cc1)-n1nc2n(c3cccc([N+]([O-])=O)c3[nH]c2=O)c1=O
COc1ccc(cc1)-c1nsc(NC(C)=O)n1
CCCOC(=O)c1c(CC)c(C(=O)SCCC)c(CC)nc1-c1cccc(Cl)c1
Cn1cc2c(n1)nc(NC(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(N1CCOCC1)n1nc(nc21)-c1ccco1
CN1CCN(CC1)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Cn1cc2c(n1)nc(N1CCCCC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(N1CCCC1)n1nc(nc21)-c1ccco1
CCN(CCO)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Cn1cc2c(n1)nc(N(Cc1ccccc1)Cc1ccccc1)n1nc(nc21)-c1ccco1
CN(Cc1ccccc1)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CN(C1CCCCC1)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCCCCN(CCCCC)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCN(CC)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCCCN(C)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CN(C)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Cn1cc2c(n1)nc(NCCOc1ccccc1)n1nc(nc21)-c1ccco1
COCCNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CONc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Cn1cc2c(n1)nc(NCCCCCCO)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NCCCCCO)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NCCCCO)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(CO)CO)n1nc(nc21)-c1ccco1
CCC(CO)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CC(O)CNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Cn1cc2c(n1)nc(NCCCO)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NCCO)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NCCc1c[nH]c3ccccc13)n1nc(nc21)-c1ccco1
CC(CCc1ccccc1)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
COc1ccc(CCNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1OC
Cn1cc2c(n1)nc(NCCc1ccccc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NCc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
COc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1OC
Cn1cc2c(n1)nc(NCc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NCc1ccc(F)cc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NCc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
COc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Cc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
C[C@@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1 |r|
C[C@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1 |r|
Cn1cc2c(n1)nc(NCc1ccccc1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC1C3CC4CC(C3)CC1C4)n1nc(nc21)-c1ccco1 |TLB:8:9:11.12.18:15.14.16,8:9:11:15.14.13,THB:13:12:9:15.14.16,13:14:9:11.12.18,16:17:11:15.14.13,16:14:11:9.18.17,(18.41,-21.76,;19.17,-20.43,;20.71,-20.26,;21.02,-18.75,;19.69,-17.99,;18.54,-19.02,;19.69,-16.45,;21.02,-15.67,;21.02,-14.13,;19.69,-13.36,;18.29,-12.8,;16.79,-13.22,;17.98,-11.95,;17.98,-10.46,;19.32,-9.98,;18.28,-11.22,;20.72,-10.56,;20.71,-12.09,;19.31,-12.44,;22.35,-16.45,;23.82,-15.97,;24.72,-17.22,;23.82,-18.47,;22.35,-17.99,;26.25,-17.22,;27.16,-15.97,;28.62,-16.45,;28.62,-17.99,;27.16,-18.46,)|
Cn1cc2c(n1)nc(NC13CC4CC(CC(C4)C1)C3)n1nc(nc21)-c1ccco1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Cn1cc2c(n1)nc(NCC1CCCCC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC1CCCCCCC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC1CCCCCC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC1CCCCC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC1CCCC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC1CCC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC1CC1)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)nc(NC(C)(C)C(C)(C)C)n1nc(nc21)-c1ccco1
CCCCC(CC)CNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCCCCCC(C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCCCCC(C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCCCCNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CC[C@@H](C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 |r|
CC[C@H](C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 |r|
CC(C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCOc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
COc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Cn1cc2c(n1)nc(Cl)n1nc(nc21)-c1ccco1
Cn1cc2c(n1)[nH]c(=O)n1nc(nc21)-c1ccco1
CCC[C@@H](CCO)Nc1nc(N)nc2c(F)cccc12 |r|
CCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12 |r|
CCCCCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12 |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O |r|
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc23)[C@](C)(O)[C@@H]1O |r|
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O |r|
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3ccccc3)ncnc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
C[C@@]1(O)[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1cnc2c(NCc3cccc(I)c3)nc(NC)nc12 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc12 |r|
C[C@@]1(O)[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)Nc1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
OC1CCC(CC1)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 |(.4,-38.89,;-.93,-39.67,;-.94,-41.21,;-2.26,-41.98,;-3.6,-41.22,;-3.61,-39.67,;-2.27,-38.9,;-4.93,-41.99,;-4.92,-43.53,;-6.25,-44.3,;-6.25,-45.85,;-4.92,-46.62,;-3.58,-45.85,;-2.11,-46.32,;-1.63,-47.79,;-2.66,-48.93,;-4.16,-48.61,;-5.19,-49.75,;-4.71,-51.22,;-3.2,-51.53,;-2.18,-50.39,;-.67,-50.7,;-1.19,-45.07,;-2.11,-43.81,;-3.58,-44.29,;-7.58,-46.61,;-8.91,-45.84,;-10.25,-46.6,;-10.25,-48.14,;-8.91,-48.92,;-7.58,-48.14,)|
OC1CCC(CC1)Nc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 |(.47,-38.63,;-.87,-39.41,;-.87,-40.95,;-2.19,-41.72,;-3.53,-40.96,;-3.54,-39.41,;-2.2,-38.64,;-4.86,-41.73,;-4.86,-43.27,;-6.18,-44.04,;-6.18,-45.59,;-4.85,-46.36,;-3.51,-45.59,;-2.04,-46.07,;-1.56,-47.53,;-2.59,-48.67,;-4.09,-48.35,;-5.12,-49.49,;-4.65,-50.96,;-3.13,-51.27,;-2.11,-50.13,;-.6,-50.44,;-1.13,-44.81,;-2.04,-43.55,;-3.51,-44.03,;-7.51,-46.35,;-8.84,-45.58,;-10.18,-46.34,;-10.18,-47.88,;-8.84,-48.66,;-7.51,-47.88,)|
OC1CCC(CC1)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 |(.62,-38.83,;-.71,-39.6,;-.71,-41.14,;-2.04,-41.91,;-3.38,-41.15,;-3.39,-39.61,;-2.05,-38.84,;-4.71,-41.93,;-4.7,-43.47,;-6.02,-44.24,;-6.03,-45.78,;-4.7,-46.55,;-3.36,-45.78,;-1.88,-46.26,;-1.41,-47.73,;-2.44,-48.87,;-3.94,-48.55,;-4.97,-49.69,;-4.49,-51.15,;-2.98,-51.47,;-1.95,-50.32,;-.97,-45.01,;-1.88,-43.75,;-3.36,-44.23,;-7.36,-46.55,;-8.69,-45.77,;-10.02,-46.54,;-10.03,-48.08,;-8.68,-48.85,;-7.36,-48.08,)|
C(c1ccccc1)n1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1
O[C@H]1CCCC[C@@H]1Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 |r|
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NN2CCc3ccccc3C2)cc1
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccon2)cc1
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)N(C)C)cc1
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2cccnc2)cc1
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O
CCSCCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O
Cn1c(Cc2cccs2)nc2n(Cc3ccco3)c(=O)n(CC3CC3)c(=O)c12
CCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccco3)n(C)c2c1=O
Cn1c(Cc2c(F)cccc2F)nc2n(Cc3ccco3)c(=O)n(CC3CC3)c(=O)c12
CSCCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)[nH]c2c1=O
COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O
COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3c(F)cccc3F)n(C)c2c1=O
CSCCn1c(=O)n(Cc2ccco2)c2nc(Cc3c(F)cccc3F)[nH]c2c1=O
CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)[nH]c2c1=O
CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)[nH]c2c1=O
COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O
CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccco3)[nH]c2c1=O
Fc1cccc(F)c1Cc1nc2n(Cc3ccco3)c(=O)n(CC#C)c(=O)c2[nH]1
CC(C)Cn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)[nH]c2c1=O
Cn1c(Cc2ccco2)nc2n(Cc3ccco3)c(=O)n(C)c(=O)c12
CCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O
CCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O
Cn1c(Cc2c(F)cccc2F)nc2n(Cc3ccco3)c(=O)n(CC=C)c(=O)c12
CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccco3)n(C)c2c1=O
CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O
O=c1n(Cc2ccco2)c2nc(Cc3cccs3)[nH]c2c(=O)n1CC#C
O=c1n(Cc2ccco2)c2nc(Cc3cccs3)[nH]c2c(=O)n1CC1CC1
CCSCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)[nH]c2c1=O
CCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)[nH]c2c1=O
CCCCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)[nH]c2c1=O
Cn1c(Cc2cccs2)nc2n(Cc3ccco3)c(=O)n(CC=C)c(=O)c12
CCCn1c(=O)n(CCS(=O)(=O)CC)c2nc([nH]c2c1=O)-c1ccccc1
CCCn1c(=O)n(CCS(=O)CC)c2nc([nH]c2c1=O)-c1ccccc1
CCn1c(=O)n(Cc2cccs2)c2nc(Cc3c(F)cccc3F)n(C)c2c1=O
CCn1c(=O)n(Cc2cccs2)c2nc(Cc3ccco3)n(C)c2c1=O
CCn1c(=O)n(Cc2cccs2)c2nc(Cc3cccs3)n(C)c2c1=O
CCn1c(=O)n(Cc2ccccc2)c2nc(Cc3cccs3)n(C)c2c1=O
CCn1c(=O)n(Cc2cccs2)c2nc(Cc3ccco3)[nH]c2c1=O
CCn1c(=O)n(Cc2cccs2)c2nc(Cc3cccs3)[nH]c2c1=O
CCSCCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1
CCCn1c(=O)n(CC2CCCO2)c2nc([nH]c2c1=O)-c1ccccc1
CCCn1c(=O)n(CCSCC)c2nc([nH]c2c1=O)-c1ccccc1
Cn1c(=O)n(CC2CCCCC2)c2nc([nH]c2c1=O)-c1cccs1
CCn1n2c(nc(O)c2c2ccccc2c1=O)-c1cccc(OCC=C)c1
CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
COc1cc(OCc2nc(no2)-c2ccc(Br)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1Cl |r|
Nc1nc(OC2CCCC2)nc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)[C@H]3C[C@H]4CC[C@@H]3C4)ncnc12 |r|
COc1cc(OC)cc(c1)[C@@H](CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1C |r|
COc1nc(N)c2ncn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Nc1nc(OCCCc2ccccc2)nc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
Nc1nc(OCCc2ccc(Cl)cc2)nc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
CC1(C)C2CC1C(CN=Nc1nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n1)=CC2 |r,w:8.8,c:32|
CCCC(C)N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
CC(C)(C)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
CCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:2.1|
Nc1nc(N=NCC2CCC=CC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5,c:10|
Nc1nc(N=NCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5,t:7|
CCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:3.2|
CCC(CC)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:6.5|
CCCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:4.3|
CC(C)CCN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
CC(C)N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:3.2|
Nc1nc(N=NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Nc1nc(N=NCCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
CC(C)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:4.3|
CCCCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
Nc1nc(N=NCC2=CC3CCC2C3)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5,t:7,TLB:6:7:13:11.10|
CCC(CC)N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCCCC3)ncnc12 |r|
Cc1ccccc1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3)ncnc12 |r|
COc1ccccc1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3F)ncnc12 |r|
Cc1cccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
COc1cccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
CC[C@H](C)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC[C@@H](C)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]\C=c4/ccc5=Cc6ccc(-c7cccs7)n6[B-](F)(F)n45)cc3)ncnc12 |t:45|
OCC1OC(C(O)C1O)n1cnc2c(NCCCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]\C=c4/ccc5=Cc6ccc(-c7cccs7)n6[B-](F)(F)n45)cc3)ncnc12 |t:42|
CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]\C=c4/ccc5=Cc6ccc(-c7cccs7)n6[B-](F)(F)n45)cc3)ncnc12 |t:44|
COc1ccc(cc1)-n1nc2c(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]\C=c4\ccc5=Cc6ccc(-c7cccs7)n6[B-](F)(F)n45)cc3)nc3ccccc3n2c1=O |t:51|
COc1ccc(cc1)-n1nc2c(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc3ccc(cc3)C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)nc3ccccc3n2c1=O |c:52,54,t:49|
Nc1nc2ccccc2c2cc(nn12)-c1ccco1
COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-c1cccc(OC)c1
COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:8.8|
CN(NC(=S)Nc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CN(NC(=O)Nc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CN(NC(CO)C(=O)[C@@H](O)[C@@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CN(NCC(=O)[C@@H](O)[C@@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CN(NCC(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CN(NCC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(NNC(CO)C(=O)[C@@H](O)[C@@H](O)CO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(NNCC(=O)[C@@H](O)[C@@H](O)CO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(NNCC(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(NNCC(=O)[C@H](O)[C@H](O)[C@@H](O)CO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1Cl |r,w:8.8|
Nc1nc(N=NCc2ccc(Cl)cc2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3|
Nc1nc(N=NCc2ccc(Cl)c(Cl)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3|
Nc1nc(N=NCc2ccc(Cl)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3|
Cc1nc(NC(=O)Cc2ccccc2)c2nn(cc2n1)-c1ccccc1
CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCC(N)=O)c1C#N
CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
NC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC=C)cc2)c1C#N
CC(=C)COc1ccc(cc1)-c1c(C#N)c(N)nc(SCC(N)=O)c1C#N
Nc1nc(SCC(=O)NO)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N
NC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccc(OCC4CC4)cc3)c2C#N)c1
CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)NC)c1C#N
Nc1nc(SCC2=NCCN2)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N |t:6|
Nc1nc(SCc2ccn[nH]2)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N
Nc1nc(CSc2nc(N)c(C#N)c(-c3ccc(OCC4CC4)cc3)c2C#N)cs1
Nc1nc(SCc2cccnc2)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N
CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ccn[nH]2)c1C#N
Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N
Nc1nc(SCc2ncn[nH]2)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N
Nc1nc(SCc2ccn[nH]2)c(C#N)c(-c2ccc(OCC=C)cc2)c1C#N
CC(C)COc1ccc(cc1)-c1c(C#N)c(N)nc(SCC(N)=O)c1C#N
COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccc(OCC4CC4)cc3)c2C#N)c1
CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc12 |r|
CCOc1cccc2cc(C(=O)NCc3ccccn3)c(=N)oc12
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(cc1)S(O)(=O)=O |r|
CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(cc1)-c1ccccc1 |r|
CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCNC(=O)NCC(=O)NCC(=O)NCC(=S)c2ccc(C3C4C=CC(=O)C=C4Oc4cc(O)ccc34)c(c2)C(O)=O)cc1 |c:51,55|
CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(C3C4C=CC(=O)C=C4Oc4cc(O)ccc34)c(c2)C(O)=O)cc1 |c:40,44|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNc5ccc([N+]([O-])=O)c6nonc56)cc4)cc3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(C6C7C=CC(=O)C=C7Oc7cc(O)ccc67)c(c5)C(O)=O)cc4)cc3)ncnc12 |r,c:44,48|
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1
CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCC(C)C)C(=O)O
CCCC1CCC(CCC)(C1)n1c(=O)[nH]c2nc[nH]c2c1=O
Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Cc1ccccc1-c1nc2c(NC3CCCC3)ncnc2n1C
CCCn1c(nc2c(N)ncnc12)-c1ccccc1
CCCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Cn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Cc1ccc(cc1)-c1nc2c(NC3CCCC3)ncnc2n1C
Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(O)cc1
Cc1cccc(c1)-c1nc2c(NC3CCCC3)ncnc2n1C
CCCn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Cn1c(nc2c(NC3CCCC3)ncnc12)-c1cccc(Cl)c1
Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(F)cc1
Cn1c(nc2c(N)ncnc12)-c1ccccc1
CCn1c(nc2c(N)ncnc12)-c1ccccc1
Cn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
CCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Cn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
CCn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
CCCn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
CCCn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Cn1c(nc2c(NC3CCCC3)ncnc12)-c1cccnc1
Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1Cl
COc1ccc(cc1)-c1nc2c(NC3CCCC3)ncnc2n1C
Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(cc1)C(O)=O
CCn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(Cl)cc1
CCn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Nc1nc(NCc2ccncc2)nc2sc(nc12)-c1ccco1
Nc1nc(NCc2ccco2)nc2sc(nc12)-c1ccco1
COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2cccs2)c1
COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1cccs1
Cc1ccc(o1)-c1nc2c(N)nc(NCc3cccs3)nc2s1
COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2ccc(C)o2)c1
COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccc(C)o1
Nc1nc(NCCc2cccnc2)nc2sc(nc12)-c1ccco1
Nc1nc(NCCc2ccco2)nc2sc(nc12)-c1ccco1
Nc1nc(NCCc2cccs2)nc2sc(nc12)-c1ccco1
Nc1nc(NCc2cnccn2)nc2sc(nc12)-c1ccco1
Nc1nc(NCc2ccccn2)nc2sc(nc12)-c1ccco1
Nc1nc(NCc2ccsc2)nc2sc(nc12)-c1ccco1
Nc1nc(NCc2cccnc2)nc2sc(nc12)-c1ccco1
Nc1nc(NCc2cccs2)nc2sc(nc12)-c1ccco1
Nc1nc(NCc2cccs2)nc2sc(nc12)-c1cccs1
FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCCCCC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c23)cc1 |c:30,33,36|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)cc1 |c:52,54,t:49|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(c(c5)C(O)=O)-c5c6ccc(O)cc6oc6cc(=O)ccc56)cc4)cc3)ncnc12 |r,wU:4.9,2.1,wD:5.5,7.8,(9.7,-25.89,;10.78,-24.8,;12.25,-25.26,;13.49,-24.35,;14.74,-25.24,;14.28,-26.71,;15.2,-27.97,;12.74,-26.73,;11.83,-27.99,;16.22,-24.77,;16.67,-23.3,;18.21,-23.3,;18.7,-24.76,;20.1,-25.38,;21.34,-24.47,;22.68,-25.22,;22.69,-26.76,;24.03,-27.52,;25.36,-26.73,;26.71,-27.49,;28.03,-26.7,;28.01,-25.16,;29.38,-27.45,;30.7,-26.66,;32.04,-27.42,;33.37,-26.63,;33.35,-25.09,;34.67,-24.3,;36.02,-25.05,;36.04,-26.59,;37.34,-24.26,;38.69,-25.01,;40.01,-24.22,;41.36,-24.98,;42.68,-24.19,;42.66,-22.64,;44.03,-24.94,;44.05,-26.48,;42.72,-27.26,;42.74,-28.8,;44.09,-29.56,;45.42,-28.76,;45.39,-27.22,;46.95,-28.76,;47.72,-27.42,;47.72,-30.09,;44.11,-31.09,;42.79,-31.88,;41.46,-31.13,;40.14,-31.92,;40.16,-33.46,;38.84,-34.25,;41.5,-34.2,;42.81,-33.42,;44.16,-34.17,;45.48,-33.37,;46.82,-34.11,;48.14,-33.32,;49.49,-34.06,;48.11,-31.78,;46.76,-31.04,;45.46,-31.83,;31.99,-24.34,;30.68,-25.13,;25.34,-25.18,;24,-24.44,;20.26,-26.9,;19.03,-27.81,;17.63,-27.18,;17.46,-25.66,)|
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCCC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c23)cc1 |c:28,31,34|
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c23)cc1 |c:27,30,33|
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCCCc2ccccc2)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCc2ccccc2)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCCCCCCCCCC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c23)cc1 |c:35,38,41|
Nc1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCCCCn3cc(CCCC(=O)Nc4nc5ccc(Cl)cc5c5nc(nn45)-c4ccco4)nn3)c3ccc(=N)c(c3oc2c1S(O)(=O)=O)S(O)(=O)=O |(2.4,-1.39,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-4,5.39,;-2.67,6.16,;-1.34,5.39,;-1.33,3.85,;0,3.09,;.01,1.86,;1.07,3.71,;-2.67,7.7,;-3.74,8.32,;-1.34,8.47,;-1.34,10.01,;-0,10.78,;-0,12.32,;1.33,13.1,;1.33,14.64,;2.67,15.41,;2.67,16.95,;3.91,17.83,;3.43,19.3,;4.33,20.54,;3.7,21.95,;4.6,23.2,;3.97,24.61,;2.75,24.73,;4.87,25.86,;4.24,27.26,;2.71,27.41,;2.08,28.82,;.55,28.97,;-.09,30.37,;.81,31.63,;.3,32.75,;2.34,31.47,;2.98,30.07,;4.51,29.92,;5.65,30.95,;6.98,30.19,;6.67,28.68,;5.14,28.51,;8.39,30.82,;9.64,29.94,;10.86,30.89,;10.33,32.34,;8.8,32.29,;1.89,19.29,;1.42,17.83,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-7.74,-1.39,;-5.33,-1.54,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;,-3.08,;0,-4.31,;-1.07,-3.7,;1.07,-3.7,;-5.33,-3.08,;-5.33,-4.31,;-6.4,-3.7,;-4.27,-3.7,)|
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCCCC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c23)cc1 |c:29,32,35|
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCCc2ccccc2)cc1
COCCOc1ccc(cc1F)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2nccs2)CC1
COCCOc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1
Cn1c2c3nc(nn3c(N)nc2n(CCN2CCN(CC2)c2ccc(cc2)C#N)c1=O)-c1ccco1
Nc1cc(-c2ccco2)c2oc(nc2c1)-c1ccco1
CCOC(=O)c1cnc(OCC)n2nc(nc12)-c1ccco1
CNc1ncc(C(=O)NCCOc2ccccc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OCc2ccccc2OC)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)NCCc2ccc(OC)c(OC)c2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)NCc2ccccc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OCc2ccc(OC)cc2)c2nc(nn12)-c1ccco1
CCOC(=O)c1cnc(NCCNC(=O)OC(C)(C)C)n2nc(nc12)-c1ccco1
CNc1ncc(C(=O)NC(C)(C)Cc2ccccc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)NCc2ccc(cc2)-c2ccccc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)NCc2ccc(F)cc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)NCc2ccc(Cl)cc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)NCc2ccc(C)cc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OC(C)c2ccccc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OCc2ccc(F)cc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OCc2cccc(F)c2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OCc2ccc(Cl)cc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OCc2cccc(Cl)c2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OCc2ccccc2Cl)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OCc2ccc(C)cc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OCc2cccc(C)c2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OC(c2ccccc2)c2ccccc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OCc2ccccc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OC(C)C)c2nc(nn12)-c1ccco1
CC(C)(C)OC(=O)NCCNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1
CCOC(=O)c1cnc(NN)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NCCN)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(NNC(=O)OC(C)(C)C)n2nc(nc12)-c1ccco1
CCOC(=O)c1cnc(N2CCN(CC2)C(=O)OC(C)(C)C)n2nc(nc12)-c1ccco1
COc1ccc(CNc2ncc(C(=O)NC(c3ccccc3)c3ccccc3)c3nc(nn23)-c2ccco2)cc1OC
CNc1ncc(C(=O)NNc2ccccc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)NCc2ccc(OC)c(OC)c2)c2nc(nn12)-c1ccco1
CCOC(=O)c1cnc(N2CCNCC2)n2nc(nc12)-c1ccco1
CCOC(=O)CNC(=O)c1cnc(NCC(=O)OCC)n2nc(nc12)-c1ccco1
CNc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)NCc2ccc(cc2)C(F)(F)F)c2nc(nn12)-c1ccco1
CCOC(=O)c1cnc(NNc2ccccc2)n2nc(nc12)-c1ccco1
CCc1ccc(COC(=O)c2cnc(NC)n3nc(nc23)-c2ccco2)cc1
CNc1ncc(C(=O)OCc2ccccc2Br)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OCc2cccc(OC)c2)c2nc(nn12)-c1ccco1
CNc1ncc(C(=O)OCc2ccccc2C)c2nc(nn12)-c1ccco1
CN=c1/nc(C2CC=CC=C2)n(s1)C1CC=CC=C1
C1CCC(C1)\N=c1\nc(-c2ccccc2)n(s1)-c1ccccc1
O=C(Cc1ccccc1)Nc1nc2ccccc2n2nc(nc12)-c1ccco1
CC(=O)Nc1nc2ccccc2n2nc(nc12)-c1ccco1
COc1nc2ccccc2n2nc(nc12)-c1ccco1
OCCN(CCO)c1nc2ccccc2n2nc(nc12)-c1ccco1
COC(CNc1nc2ccccc2n2nc(nc12)-c1ccco1)OC
COCCNc1nc2ccccc2n2nc(nc12)-c1ccco1
CC(O)CNc1nc2ccccc2n2nc(nc12)-c1ccco1
C(Nc1nc2ccccc2n2nc(nc12)-c1ccco1)c1ccco1
C(Nc1nc2ccccc2n2nc(nc12)-c1ccco1)c1ccccc1
COCCCNc1nc2ccccc2n2nc(nc12)-c1ccco1
N(c1ccccc1)c1nc2ccccc2n2nc(nc12)-c1ccco1
NCC(O)CNc1nc2ccccc2n2nc(nc12)-c1ccco1
Nc1nc2ccccc2n2nc(nc12)-c1ccco1
O=C(CCc1ccccc1)Nc1nc2ccccc2n2nc(nc12)-c1ccco1
C(Oc1nc2ccccc2n2nc(nc12)-c1ccco1)c1ccoc1
CCN(CC)c1nc2ccccc2n2nc(nc12)-c1ccco1
OCCNc1nc2ccccc2n2nc(nc12)-c1ccco1
O=C(Nc1nc2ccccc2n2nc(nc12)-c1ccco1)c1cccs1
C(Cc1ccccc1)Nc1nc2ccccc2n2nc(nc12)-c1ccco1
CCOc1nc2ccccc2n2nc(nc12)-c1ccco1
O=C(Nc1nc2ccccc2n2nc(nc12)-c1ccco1)c1ccco1
COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(O)c(F)c3)ncnc12 |r|
O[C@@H]1[C@@H](CF)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOCC3)ncnc12 |r|
CC(C)(C)C(=O)c1cc2C(=O)CC(Cc2[nH]c1=O)c1ccccc1
O=C1CC(Cc2[nH]c(=O)c(cc12)S(=O)(=O)c1ccccc1)c1ccccc1
O=C(c1ccccc1)c1cc2C(=O)CC(Cc2[nH]c1=O)c1ccccc1
Nc1nc(nc2sc(cc12)C1(CC1)c1ccccc1)-c1cccc(c1)C#N
Cc1csc(n1)-c1nc(N)c2cc(sc2n1)C1(CC1)c1ccccc1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cccc(c1)C(F)(F)F
Nc1nc(nc2sc(cc12)C(=C)c1ccccc1)-c1cccc(c1)C#N
Cc1ccc(o1)-c1nc(N)c2cc(Cc3ccccc3F)sc2n1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1ccc(o1)C(F)F
Cc1ccc(o1)-c1nc(N)c2cc(CCc3ccccc3)sc2n1
Cc1csc(n1)-c1nc(N)c2cc(Cc3ccccc3)sc2n1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cccnc1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1ccc(o1)C1CC1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1ccncc1
CC(c1cc2c(N)nc(nc2s1)-c1ccc(C)o1)c1ccccc1
CC(C)c1ccc(o1)-c1nc(N)c2cc(Cc3ccccc3)sc2n1
COc1cccc(c1)-c1nc(N)c2cc(Cc3ccccc3)sc2n1
Nc1nc(nc2sc(cc12)-c1ccccc1)-c1ccccc1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1ccccc1
COc1ccccc1Cc1cc2c(N)nc(nc2s1)-c1ccc(C)o1
Nc1nc(nc2sc(Cc3ccccc3Cl)cc12)-c1cccc(c1)C#N
Cc1ccc(o1)-c1nc(N)c2ccsc2n1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cncc(c1)C#N
Cc1ccc(o1)-c1nc(N)c2cc(sc2n1)-c1ccccc1
Cc1ccc(o1)-c1nc(N)c2cc(Cc3ccccc3)sc2n1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cccc(F)c1
Cc1csc(n1)-c1nc(N)c2cc(Cc3ccccc3Cl)sc2n1
Cc1ccc(o1)-c1nc(N)c2cc(Cc3ccccc3Cl)sc2n1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cccc(n1)C#N
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cnco1
Cc1csc(n1)-c1nc(N)c2cc(sc2n1)C(=C)c1ccccc1
Cc1csc(n1)-c1nc(N)c2cc(Cc3ccccc3F)sc2n1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cccc(Cl)n1
Nc1nc(nc2sc(Cc3ccccc3F)cc12)-c1cccc(c1)C#N
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1ccc(o1)C#N
CC(c1cc2c(N)nc(nc2s1)-c1nc(C)cs1)c1ccccc1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1ncccn1
COc1ccccc1Cc1cc2c(N)nc(nc2s1)-c1ccc(o1)C(F)F
Cc1nc(cs1)-c1nc(N)c2cc(Cc3ccccc3)sc2n1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cccc(c1)C#N
COc1ccccc1Cc1cc2c(N)nc(nc2s1)-c1cccc(c1)C#N
Cn1cnc(c1)-c1nc(N)c2cc(Cc3ccccc3)sc2n1
COc1ccccc1Cc1cc2c(N)nc(nc2s1)-c1nc(C)cs1
Nc1nc(nc2sc(Cc3ccccc3)cc12)C1CCCO1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1ncco1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cnccn1
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1ccccn1
CCc1ccc(o1)-c1nc(N)c2cc(Cc3ccccc3)sc2n1
CC(c1cc2c(N)nc(nc2s1)-c1cccc(c1)C#N)c1ccccc1
Clc1ccc2c(c1)nc(NC(=O)CCCc1ccccc1)sc2=O
Clc1cccc(CN2CCN(CC2)C(=O)c2ccc(cc2)C(=O)Nc2nc3ccccc3c(=O)s2)c1
Clc1cccc(\C=C\CC(=O)Nc2nc3ccccc3c(=O)s2)c1
COc1cccc(\C=C\CC(=O)Nc2nc3ccccc3c(=O)s2)c1
COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1
O=C(CCCc1ccccc1)Nc1nc2ccccc2c(=O)s1
Cc1sc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1C
Brc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1
CN(C(=O)CCCc1ccccc1)c1nc2ccccc2c(=O)s1
Clc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1
Clc1cccc(OCC(=O)Nc2nc3ccccc3c(=O)s2)c1
Clc1ccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)cc1Cl
COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1
Clc1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)C(=O)Nc2nc3ccccc3c(=O)s2)cc1
COc1cccc(\C=C\C(=O)Nc2nc3ccccc3c(=O)s2)c1
O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1
O=C(C\C=C\c1ccccc1)Nc1nc2ccccc2c(=O)s1
Clc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1
O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1
Clc1ccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)cc1Cl
COc1cccc(c1)C#CC(=O)Nc1nc2ccccc2c(=O)s1
Clc1ccccc1CN1CCN(CC1)C(=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2c(=O)s1
Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1
Brc1ccccc1CCC(=O)Nc1nc2ccccc2c(=O)s1
Fc1ccccc1CCC(=O)Nc1nc2ccccc2c(=O)s1
Cc1sc2nc(nc(N)c2c1C)-c1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccccc1
Nc1nc(nc2sc3CCCCc3c12)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Cc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1nc(N)c2c3CCCCc3sc2n1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1nc(N)nc(n1)N(C)C)-c1ccccc1
CN(C)c1nc(N)nc(n1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
O=C(Nc1nc(c(s1)-c1ccccn1)-c1ccccc1)c1ccco1
O=C(Nc1nc(c(s1)C(=O)c1cccnc1)-c1ccccc1)c1ccco1
COc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1nc(N)c2c(C)c(C)sc2n1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1cccnc1)-c1ccccc1
Cc1sc2nc([nH]c(=O)c2c1C)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
O=C(Nc1nc(c(s1)-c1nc2ccccc2c(=O)[nH]1)-c1ccccc1)c1ccco1
COc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1nc(N)c2c3CCCCc3sc2n1)-c1ccccc1
Cc1sc2nc(nc(N)c2c1C)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Cc1sc2nc(nc(N)c2c1C)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
CN(C)c1nc(N)nc(n1)-c1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccccn1)-c1ccccc1
O=C(Nc1nc(c(s1)-c1ccncc1)-c1ccccc1)c1ccco1
Nc1nc(nc2sc3CCCCc3c12)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
O=C(Nc1nc(c(s1)C(=O)c1ccccn1)-c1ccccc1)c1ccco1
CN(C)c1nc(N)nc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
C[C@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
C[C@@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Brc1ccc(\C=N\c2c(sc(=S)n2-c2ccccc2)C#N)cc1
CCCCn1c(\N=C\c2ccc(Cl)cc2)c(sc1=S)C#N
CCCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N
CCCCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N
Fc1ccc(\C=N\c2c(sc(=S)n2CCc2ccccc2)C#N)cc1
Fc1ccc(\C=N\c2c(sc(=S)n2-c2ccccc2)C#N)cc1
CCCn1c(\N=C\c2ccc(Cl)cc2)c(sc1=S)C#N
CCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N
Brc1ccc(\C=N\c2c(sc(=S)n2CCc2ccccc2)C#N)cc1
Clc1ccc(\C=N\c2c(sc(=S)n2-c2ccccc2)C#N)cc1
CCCCn1c(\N=C\c2ccc(F)cc2)c(sc1=S)C#N
CCn1c(\N=C\c2ccc(F)cc2)c(sc1=S)C#N
CCn1c(\N=C\c2ccc(Cl)cc2)c(sc1=S)C#N
CCCn1c(\N=C\c2ccc(F)cc2)c(sc1=S)C#N
O=C(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccco1
O=C(C(=O)c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
O=C(NCc1ccccc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12
O=C(NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
O=C(Nc1ccccc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12
O=C(Nc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
O=C(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1cccs1
Nc1ncnc2n(CCO)c(nc12)-c1ccco1
Nc1ncnc2n(CCCO)c(nc12)-c1ccco1
Cn1c(nc2c(NC(=O)C(c3ccccc3)c3ccccc3)ncnc12)-c1ccco1
Cc1ccc(NC(=O)Nc2ncnc3n(C)c(nc23)-c2ccco2)cc1
Cn1c(nc2c(NC(=O)Nc3ccccc3)ncnc12)-c1ccco1
Cc1ccc(COc2ccc(CC(=O)Nc3ncnc4n(C)c(nc34)-c3ccco3)cc2)cc1
Cn1c(nc2c(NC(=O)Cc3ccccc3)ncnc12)-c1ccco1
CCn1c(nc2c(N)ncnc12)-c1ccco1
Cn1c(nc2c(NC(=O)Cc3ccc(OCc4ccccc4)cc3)ncnc12)-c1ccco1
Cn1c(nc2c(N)ncnc12)-c1ccco1
CCCn1c(nc2c(N)ncnc12)-c1ccco1
Cn1c(nc2c(NC(=O)c3ccc(cc3)-c3ccccc3)ncnc12)-c1ccco1
CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1 |c:5|
CC(C)OC(=O)C1=C(C)NC(=S)NC1c1ccco1 |c:6|
[H][C@@]12C[C@@]3([H])C[C@]([H])(C[C@]3(C1)c1nc3n(C)c(=O)n(C)c(=O)c3[nH]1)C2 |r,wD:9.12,6.6,3.3,1.0,TLB:5:6:10:2.3,THB:5:3:10:24.6.8,(14.09,-14.42,;12.36,-15.15,;12.34,-13.62,;10.87,-13.16,;12.72,-13.48,;13.43,-13.25,;13.03,-14.75,;14.92,-14.74,;11.3,-15.18,;9.98,-14.41,;10.9,-15.65,;8.44,-14.44,;7.53,-15.7,;6.07,-15.24,;4.75,-16.03,;4.75,-17.57,;3.4,-15.27,;2.07,-16.06,;3.39,-13.73,;2.04,-12.98,;4.71,-12.95,;4.68,-11.41,;6.05,-13.7,;7.5,-13.21,;13.44,-16.24,)|
CC(C)c1ccc(cc1)N1CCCn2c1nc1n(C)c(=O)n(CC#C)c(=O)c21
CCCn1c2nc3N(CC(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(CC(=O)N4CCN(CC4)c4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
COc1cccc(CN2CCCn3c2nc2n(C)c(=O)n(CC#C)c(=O)c32)c1
Cn1c2nc3N(CC(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)CCCn3c2c(=O)n(C)c1=O
CCn1c2nc3N(CCc4cc(OC)c(OC)c(OC)c4)CCCn3c2c(=O)n(CC)c1=O
COc1ccc(CN2CCN(CC2)C(=O)CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
CCn1c2nc3N(CCc4ccccc4OC)CCCn3c2c(=O)n(CC)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(CC#C)c1=O)C1CCN(Cc2ccccc2)CC1
Cn1c2nc3N(CCCn3c2c(=O)n(CC#C)c1=O)C1CCC1
Cn1c2nc3N(Cc4cccs4)CCCn3c2c(=O)n(CC#C)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(CC#C)c1=O)c1ccc(F)cc1
Cn1c2nc3N(CCCn3c2c(=O)n(CC#C)c1=O)C1CCCCC1
Cn1c2nc3N(CCCn3c2c(=O)n(CC#C)c1=O)c1cccc(Br)c1
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1ccc(F)cc1
CCn1c2nc3N(CCc4cccc(OC)c4)CCCn3c2c(=O)n(CC)c1=O
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)C1CCCCC1
COc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(CC#C)c(=O)c21
CCCn1c2nc3N(CCC(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)CCCn3c2c(=O)n(CCC)c1=O
CCCn1c2nc3N(CCC(=O)N4CCN(CC4)c4ccccc4)CCCn3c2c(=O)n(CCC)c1=O
CCCn1c2nc3N(CC(=O)N4CCN(Cc5ccccc5)CC4)CCCn3c2c(=O)n(CCC)c1=O
CCCn1c2nc3N(CC(=O)N4CCN(CC4)c4ccc(Cl)cc4)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(CC(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CC(=O)N4CCN(Cc5ccccc5)CC4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCc4ccc(Cl)c(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)c(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1cc(Cl)cc(Cl)c1
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1cccc(Cl)c1
CCn1c2nc3N(CCc4ccc(OC)c(OC)c4)CCCn3c2c(=O)n(CC)c1=O
Cn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CC#C)c1=O
COc1cc(OC)cc(c1)N1CCCn2c1nc1n(C)c(=O)n(CC#C)c(=O)c21
CCn1c2nc3N(CCc4ccc(OC)cc4)CCCn3c2c(=O)n(CC)c1=O
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1cccc(OC)c1
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1ccc(F)cc1
Cn1c2nc3N(CCc4cccs4)CCCn3c2c(=O)n(CC#C)c1=O
COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(CC#C)c(=O)c32)cc1
Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(CC#C)c1=O
COc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(CC#C)c(=O)c32)cc1
Cn1c2nc3N(Cc4ccccc4)CCCn3c2c(=O)n(CC#C)c1=O
COc1cccc(c1)N1CCCn2c1nc1n(C)c(=O)n(CC#C)c(=O)c21
Cn1c2nc3N(Cc4cc(Cl)cc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CC4CCCO4)CCCn3c2c(=O)n(CC#C)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1ccc(Cl)cc1
Cn1c2nc3N(CC4CCCCC4)CCCn3c2c(=O)n(CC#C)c1=O
CCCn1c2nc3N(CC(=O)N4CCN(Cc5ccc(OC)cc5)CC4)CCCn3c2c(=O)n(CCC)c1=O
CCCn1c2nc3N(CC(=O)N4CCN(CC4)c4ccccc4)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(CC(=O)N4CCN(CC4)c4ccccc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1ccc(Cl)c(Cl)c1
CCn1c2nc3N(CCN4CCCCC4)CCCn3c2c(=O)n(CC)c1=O
Cn1c2nc3N(CCc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccnc4)CCCn3c2c(=O)n(CC#C)c1=O
COc1cc(CCN2CCCn3c2nc2n(C)c(=O)n(CC#C)c(=O)c32)cc(OC)c1OC
CC(C)n1cc2c(Cl)nc(NC(=O)c3ccc(cc3)C(F)(F)F)nc2n1
Clc1nc(NC(=O)c2ccccc2)nc2nn(CCc3ccccc3)cc12
CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1
CC(C)n1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1
Fc1ccc(cc1)C(=O)Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1
CC(C)n1cc2c(Cl)nc(NC(=O)c3ccc(C)cc3)nc2n1
CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1
Cn1cc2c(Cl)nc(N)nc2n1
CC(C)n1cc2c(Cl)nc(NC(=O)c3ccccc3)nc2n1
Cc1ccc(cc1)C(=O)Nc1nc(Cl)c2cn(C)nc2n1
CCOC(=O)c1nc(NC(=O)c2ccc(cc2)C(F)(F)F)nc2nn(CC(C)(C)C)cc12
CC(C)(C)Cn1cc2c(Cl)nc(nc2n1)N(C(=O)c1ccccc1)C(=O)c1ccccc1
CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccc(cc3)C(F)(F)F)nc2n1
Cn1cc2c(Cl)nc(NC(=O)c3ccc(cc3)C(F)(F)F)nc2n1
CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(CC(C)(C)C)cc12
Cn1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1
Cn1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1
CC(C)(C)Cn1cc2c(Cl)nc(N)nc2n1
CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccccc3)nc2n1
CC(C)n1cc2c(Cl)nc(N)nc2n1
Clc1nc(NC(=O)Cc2ccccc2)nc2nn(CCc3ccccc3)cc12
CC(C)n1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1
Cn1cc2c(Cl)nc(nc2n1)N(C(=O)c1ccccc1)C(=O)c1ccccc1
Clc1nc(nc2nn(CCc3ccccc3)cc12)N(C(=O)c1ccccc1)C(=O)c1ccccc1
Cn1cc2c(Cl)nc(NC(=O)c3ccccc3)nc2n1
CC(C)n1cc2c(Cl)nc(nc2n1)N(C(=O)c1ccccc1)C(=O)c1ccccc1
Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1
Cc1ccc(cc1)C(=O)Nc1nc(Cl)c2cn(CC(C)(C)C)nc2n1
FC(F)(F)c1ccc(cc1)C(=O)Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1
Cc1ccc(cc1)C(=O)Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1
Cn1c2nc(Cc3ccc(OCCCn4ccnc4)cc3)[nH]c2c(=O)n(C)c1=O
Cn1c2nc(Cc3ccc(OCCCN4CCC5(CC4)OCCO5)cc3)[nH]c2c(=O)n(C)c1=O
Cn1c2nc(Cc3ccc(OCCCN4CCOCC4)cc3)[nH]c2c(=O)n(C)c1=O
Cn1c2nc(Cc3ccc(OCCCCl)cc3)[nH]c2c(=O)n(C)c1=O
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCN2CCOCC2)cc1
CN(C)CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCn2ccnc2)cc1
CCN(CC)CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCC2CCNCC2)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC2CCCC2)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCN2CCN(Cc3ccccc3Cl)CC2)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCN2CCCC2)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCCl)cc1
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(nc12)C#CCCCC |r|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CC3)nc(nc12)C#CCCCC |r|
COc1ccc(cc1OC)-c1cc(nc(N)n1)-c1ccc(C)o1
Nc1nc(cc(n1)-c1cccc(Cl)c1)-c1ccccc1
Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(Cl)c1
CCN1CCN(CC1)C(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccc(C)o1
Cc1ccc(o1)-c1cc(nc(N)n1)-c1ccc(Cl)cc1
COc1cccc(c1)-c1cc(nc(N)n1)-c1ccc(C)o1
COc1cccc(c1)-c1cc(nc(N)n1)-c1ccco1
Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCCCC1
Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCCC1
CN1CCN(CC1)C(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccc(C)o1
Nc1nc(cc(n1)-c1ccc(F)cc1)-c1ccco1
Nc1nc(cc(n1)-c1cccc(Cl)c1)-c1ccco1
Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCOCC1
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)nc(N=[N+]=[N-])nc12)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)nc(I)nc12)C(=O)NC |r|
O=C(Nc1nc(cs1)C1CC1)c1ccoc1
CCc1cc2c(O)nc(nc2s1)N1CCCC1
[#6]-[#16]-c1sc(-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])nc1-[#6]
CCc1cc2c(O)ncnc2s1
CCc1cc2c(O)nc(nc2s1)-c1ccncc1
Cc1sc2nc([nH]c(=O)c2c1C)-c1ccoc1
O=c1[nH]c(nc2scc(-c3ccco3)c12)-c1ccco1
O=C(Nc1nc(cs1)C1CC1)c1cc2ccccc2s1
O=C(Nc1nc2CCCc2s1)c1cc2ccccc2s1
O=C(Nc1ccc2[nH]ncc2c1)c1ccc[nH]1
COc1cccc2sc(NC(=O)c3cc4ccccc4s3)nc12
CCc1cc2c(nc([nH]c2=O)C2CC2)s1
CC(C)(C)C(=O)Nc1nc(cs1)C1CC1
CCc1cc2c(nc([nH]c2=O)-c2ccoc2)s1
O=C(Nc1nc2ccccc2s1)c1cc2ccccc2s1
NCCOc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
COc1c(C)cc(cc1C)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCC(=O)Nc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)C=C)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCCCC2CCSS2)cc1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCOc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCC#N)cc1
Cc1cc(cc(C)c1O)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(O)c(O)c1
COc1cc(O)ccc1-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
COc1c(cc(cc1C(C)(C)C)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1)C(C)(C)C
COc1ccc(cc1OC)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
COc1ccc(c(OC)c1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
NCCC(=O)Nc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc2OCOc2c1
Nc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
NC(=O)COc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCNC(=O)CCCCC2CCSS2)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCCNC(=O)CCCCC2CCSS2)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1cc(O)c(O)c(O)c1
COc1cc(cc(OC)c1OC)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
CC(C)(C)c1cc(ccc1O)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Cc1ccc(o1)-c1nc(N)c2nc(sc2n1)-c1ccco1
Cc1ccc(o1)-c1nc(N)c2nc(sc2n1)-c1ccccc1
Cc1nc(N)c2nc(sc2n1)-c1ccccc1
O=C(Nc1nc(nc2sc(nc12)-c1ccco1)-c1ccccc1)c1ccccc1
O=C(Nc1nc(nc2sc(nc12)-c1ccccc1)-c1ccccc1)c1ccccc1
Cc1nc(NC(=O)c2ccc(Cl)cc2)c2nc(sc2n1)-c1ccccc1
Nc1nc(nc2sc(nc12)-c1ccco1)-c1ccco1
Nc1nc(nc2sc(nc12)-c1ccco1)-c1cccc(O)c1
Nc1nc(nc2sc(nc12)-c1ccco1)-c1cccc(c1)C#N
Nc1nc(nc2sc(nc12)-c1ccco1)-c1ccc(CO)cc1
Nc1nc(nc2sc(nc12)-c1ccco1)-c1ccccc1
Nc1nc(nc2sc(nc12)-c1ccccc1)-c1cccc(O)c1
Nc1nc(nc2sc(nc12)-c1ccccc1)-c1cccc(c1)C#N
COc1cccc(c1)-c1nc(N)c2nc(sc2n1)-c1ccccc1
Nc1nc(nc2sc(nc12)-c1ccccc1)-c1cccc(CO)c1
Nc1nc(nc2sc(nc12)-c1ccccc1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(C)nc2sc(nc12)-c1ccccc1
COc1ccc(cc1)-c1nc(N)c2nc(sc2n1)-c1ccccc1
O=C(Nc1nc(nc2sc(nc12)-c1ccco1)-c1ccccc1)c1ccco1
Nc1nc(nc2sc(nc12)-c1ccco1)-c1cccc(CO)c1
O=C(Nc1nc(nc2sc(nc12)-c1ccccc1)-c1ccccc1)c1ccco1
Cc1nc(NC(=O)c2ccccc2)c2nc(sc2n1)-c1ccccc1
COc1cccc(c1)-c1nc(N)c2nc(sc2n1)-c1ccco1
Nc1nc(nc2sc(nc12)-c1ccccc1)-c1ccco1
Nc1nc(nc2sc(nc12)-c1ccccc1)-c1ccc(CO)cc1
COc1ccc(cc1)-c1nc(N)c2nc(sc2n1)-c1ccco1
Cc1sc2nc(N)nc(-n3cncn3)c2c1C
Cc1sc2nc(NC(=O)c3ccccc3)[nH]c(=O)c2c1C
CC(=O)Nc1nc2sc3CCCc3c2c(=O)[nH]1
Nc1nc(-n2ccnc2)c2c3CCCCc3sc2n1
CC(=O)Nc1nc2sc(C)c(C)c2c(=O)[nH]1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cccc(OC)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(OC)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(C)c2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N(C)C
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Br)c2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Br)cc1
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(OC)c2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C(O)=O)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OCCOCCOC)cc2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)c(OC)c2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1F
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1Br
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(I)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(C)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)c(F)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)c(Cl)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(O)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OCCO)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cc(F)cc(OC)c2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(C(C)C1)c1ccccc1
O=C(Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1)c1cccc2ccccc12
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)N=[N+]=[N-])CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cccc(F)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1C
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1F
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCc1ccccc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(O)cc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OCCO)cc2)CC1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(O)c(Cl)c1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cccc(Br)c1
Nc1nc(N\N=C\c2ccc(o2)-c2ccc(Br)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCCC\C=C\C=C\C=N\Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCOc1ccc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r|
Nc1nc(N\N=C\c2ccc(cc2)-c2ccccn2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\c2ccc(cc2)-n2ccnc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\c2ccc(cc2)N(c2ccccc2)c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\c2ccc[nH]2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\c2cccnc2Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\c2ccc(Br)cn2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
COc1ccc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1 |r|
CSCC\C=N\Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(N\N=C\C2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\c2ccc(cc2)C#N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\c2ccc(cc2C(F)(F)F)C(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
COc1cc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc(OC)c1OC |r|
CCOc1cc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)ccc1O |r|
Nc1nc(N\N=C\c2ccc(OCc3ccc(F)cc3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\c2ccc(cc2)N2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC(=O)Nc1ccc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r|
Nc1nc(N\N=C\c2ccc(Cl)c(c2)C(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\c2cccc(OCc3ccccc3)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CN(C)c1ccc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r|
Nc1nc(N\N=C\c2ccccc2C#N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\c2ccc(cc2)N2CCOCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
COc1cc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)ccc1OCc1ccccc1 |r|
Nc1nc(N\N=C\c2ccc(cc2)-c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCCc1nc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c(Cl)[nH]1 |r|
Nc1nc(N\N=C\c2ccc3ncccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC(Cc1ccc(cc1)C(C)C)\C=N\Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(N\N=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\c2cncs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc(N\N=C\c2ccc(cc2)C(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
[H][C@]12CC[C@]([H])(C1)[C@H](C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,TLB:9:7:3.2:6|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[H][C@]12C[C@@]1(CSc1ccccc1F)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12CC[C@]([H])(C1)[C@H](C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |TLB:9:7:6:3.2|
[H][C@]12CC[C@]([H])(C1)C(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,TLB:9:7:3.2:6|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H]3C[C@@]4([H])CC[C@]3([H])C4)nc(Cl)nc12 |r,TLB:16:17:22.21:25|
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H]3C[C@@]4([H])CC[C@]3([H])C4)nc(Cl)nc12 |r,TLB:16:17:22.21:25|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12)C(=O)OCC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H]3C[C@@]4([H])CC[C@]3([H])C4)nc(Cl)nc12)C(=O)NC1CC1 |r,TLB:14:15:20.19:23|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc(n1)C(N)=O |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H]3C[C@@]4([H])CC[C@]3([H])C4)nc(Cl)nc12)C(=O)NCCO |r,TLB:14:15:20.19:23|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc(n1)C(=O)OC |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H]3C[C@@]4([H])CC[C@]3([H])C4)nc(Cl)cc12 |r,TLB:16:17:22.21:25|
CC(=O)COc1cccc2cc(-c3ccccc3)c(=O)oc12
CCOc1cccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc12
Cc1cccc2cc(-c3cc(O)c(O)c(O)c3)c(=O)oc12
Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1O
CC(=O)COc1cccc2cc(-c3ccc(Br)cc3)c(=O)oc12
CC(=O)COc1cccc2cc(-c3ccc(C)cc3)c(=O)oc12
CCOc1cccc2cc(-c3ccccc3)c(=O)oc12
CCOc1cccc2cc(-c3ccc(C)cc3)c(=O)oc12
CCOc1cccc2cc(-c3ccc(OC)cc3)c(=O)oc12
CCOc1cccc2cc(-c3ccc(cc3)[N+]([O-])=O)c(=O)oc12
CCOc1cccc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12
Cc1cccc2cc(-c3ccccc3)c(=O)oc12
Cc1ccc(cc1)-c1cc2cccc(C)c2oc1=O
COc1ccc(cc1OC)-c1cc2cccc(C)c2oc1=O
COc1cc(cc(OC)c1OC)-c1cc2cccc(C)c2oc1=O
CC(=O)Oc1cccc2cc(-c3ccccc3)c(=O)oc12
CC(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1OC(C)=O
CC(=O)Oc1ccc(cc1)-c1cc2ccc(OC(C)=O)c(OC(C)=O)c2oc1=O
CC(=O)Oc1ccc(cc1OC(C)=O)-c1cc2ccc(OC(C)=O)c(OC(C)=O)c2oc1=O
Oc1cccc2cc(-c3ccccc3)c(=O)oc12
Oc1ccc(cc1O)-c1cc2cccc(O)c2oc1=O
Oc1ccc(cc1O)-c1cc2ccc(O)c(O)c2oc1=O
CCOc1cccc2cc(-c3ccc(Br)cc3)c(=O)oc12
CCOc1cccc2cc(-c3ccc(OC)cc3OC)c(=O)oc12
Cc1cccc2cc(-c3ccc(cc3)[N+]([O-])=O)c(=O)oc12
COc1ccc(cc1)-c1cc2cccc(OC)c2oc1=O
CC(=O)Oc1ccc(cc1OC(C)=O)-c1cc2cccc(OC(C)=O)c2oc1=O
Oc1ccc(cc1)-c1cc2ccc(O)c(O)c2oc1=O
Oc1cccc2cc(-c3ccc(Br)cc3)c(=O)oc12
COc1cccc2cc(-c3ccc(cc3)[N+]([O-])=O)c(=O)oc12
CCOC(=O)c1nc(N)c(=O)n(n1)-c1ccccc1
Nc1nc(nn1C(=O)c1ccco1)-c1ccccc1
CN1CCN(CC1)c1nc(nc2[nH]cnc12)-c1ccc(Cl)cc1
CN1CCN(CC1)c1nc(nc2[nH]cnc12)-c1cc(Cl)ccc1Cl
CN1CCN(CC1)c1nc(nc2[nH]cnc12)-c1cccc(O)c1
CN1CCN(CC1)c1nc(nc2[nH]cnc12)-c1cccc(Cl)c1
Oc1cccc(c1)-c1nc(N2CCCCC2)c2[nH]cnc2n1
Oc1ccc(cc1)-c1nc(N2CCCCC2)c2nc[nH]c2n1
Clc1ccc(cc1)-c1nc(N2CCCCC2)c2nc[nH]c2n1
CN1CCN(CC1)c1nc(nc2[nH]cnc12)-c1ccc(Cl)c(Cl)c1
CN1CCN(CC1)c1nc(nc2n(C)cnc12)-c1ccccc1O
CN1CCN(CC1)c1nc(nc2[nH]cnc12)-c1ccc(O)cc1
Clc1cccc(c1)-c1nc(N2CCCCC2)c2nc[nH]c2n1
CCCN1C(=O)c2c(nc3n2ccc(c3)OC)N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F
CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(C)(=O)=O)c2nc3cc(OC)ccn3c2c1=O
COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2|
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(F)c3)nc(nc12)C#Cc1ccc(F)s1 |r|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(F)c(F)c1 |r|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1F |r|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(F)c3)nc(nc12)C#Cc1ccccc1 |r|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(O)c3)nc(nc12)C#Cc1ccccc1 |r|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(Br)s1 |r|
Nc1nc(SCc2ccccn2)c(C#N)c(-c2ccco2)c1C#N
CC(=O)Nc1nc(SCCO)c(C#N)c(-c2ccco2)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2cccs2)c1C#N
NC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccco3)c2C#N)c1
Nc1nc(SCCO)c(C#N)c(-c2ccco2)c1C#N
OCCSc1nc(NC2CC2)c(C#N)c(-c2ccco2)c1C#N
OCCSc1nc(NC2CCCC2)c(C#N)c(-c2ccco2)c1C#N
COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3cccnc3)c2C#N)c1
Nc1nc(NCCO)c(C#N)c(-c2cccs2)c1C#N
COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccoc3)c2C#N)c1
Nc1nc(SCc2cccnc2)c(C#N)c(-c2ccco2)c1C#N
COC(=O)c1ccc(CSc2nc(N)c(C#N)c(-c3ccco3)c2C#N)o1
Nc1nc(SCc2cccc(c2)C(O)=O)c(C#N)c(-c2ccco2)c1C#N
Nc1nc(SCc2cccc(CO)c2)c(C#N)c(-c2ccco2)c1C#N
Nc1nc(SCC(=O)OCc2ccccc2)c(C#N)c(-c2ccco2)c1C#N
NC(=O)CSc1nc(N)c(C#N)c(-c2ccco2)c1C#N
COC(=O)CSc1nc(N)c(C#N)c(-c2ccco2)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2cccnc2)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2ccsc2)c1C#N
COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccco3)c2C#N)c1
Nc1nc(SCc2ccncc2)c(C#N)c(-c2ccco2)c1C#N
Nc1nc(SCC#N)c(C#N)c(-c2ccco2)c1C#N
OCCSc1nc(NCc2ccccc2)c(C#N)c(-c2ccco2)c1C#N
Nc1nc(SCCO)c(C#N)c(-c2ccoc2)c1C#N
COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c1
Nc1nc(SCc2cccc(c2)C#N)c(C#N)c(-c2ccco2)c1C#N
Nc1nc(SCC(=O)c2ccccc2)c(C#N)c(-c2ccco2)c1C#N
Nc1nc(OCCO)c(C#N)c(-c2ccco2)c1C#N
CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:6|
Nc1nc2CCCCc2c(-c2ccc3OCOc3c2)c1C#N
CCC(C(=O)n1nc(nc1N)-c1ccccc1)c1ccccc1
Cc1cc(C)nc(Nc2nc(-c3ccccc3)c3ccc(Cl)cc3n2)n1
CCOC(=O)N1CCN(CC1)c1cc(NC2CCCCC2)c2C(=O)c3ccccc3-c3onc1c23
Fc1ccc(CNC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c23)cc1
COc1ccc(cc1)-c1cc(-c2cccc(Br)c2)c(C#N)c(N)n1
Cc1ccc(cc1)C(=O)Nc1c([nH]c2ccc(C)cc12)C(=O)NC1CCCC1
CCCN(CCC)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Oc1ccccc1Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
CC(C)C(=O)Nc1nc2NC(=CC(c3ccccc3Cl)n2n1)c1ccccc1 |c:10|
CC(C)CN1C(=S)S\C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)C1=O
C=CCn1c(SCc2ccccn2)nc2c3ccccc3[nH]c2c1=O
Fc1ccccc1CSc1nc2NC(=O)CC(C(=O)Nc3ccccc3)c2c(=O)[nH]1
COc1ccccc1CNC(=O)c1cc(Nc2ccccc2C)nc2ccccc12
Clc1ccc(cc1)-c1ccnc2nc([nH]c(=O)c12)N1CCCC1
Cc1cc(=O)n2C(N=C(Nc3cccc(C)c3C)Nc2n1)c1ccc(F)cc1 |t:7|
COc1ccc(\C=C\c2ccnc3nc([nH]c(=O)c23)N2CCCCC2)cc1
Cc1ccc(cc1)C1=CC(c2ccccc2Cl)n2nc(CCCO)nc2N1 |t:8|
CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
CC1CCc2sc3nc(NCc4ccccc4)n4c(S)nnc4c3c2C1
CC(=O)Nc1nc(nc2oc(nc12)-c1ccc(Cl)cc1)-c1ccccc1
NNc1nc2ccccc2c2nc(N)nn12
CCCc1nc2n(ncc2c2n[nH]c(=S)n12)-c1ccccc1
S=c1[nH]nc2c3c4CCCCc4sc3nc(-c3ccccc3)n12
Sc1nnc2c3c4CCCCc4sc3n3c(S)nnc3n12
Nc1nc(nc2oc(nc12)-c1ccc(Cl)cc1)-c1ccccc1
Sc1nnc2c3c(nc(-c4ccccc4Cl)n12)sc1ccccc31
Nc1nc2c3ccccc3[nH]c(=S)n2n1
Cn1c2nc3CN(Cc4cn(nn4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
COc1ccccc1CCN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)C1CCc2ccccc12
Cn1c2nc3CN(CCCn4cccc4)CCn3c2c(=O)n(C)c1=O
COc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1OC
Cn1c2nc3CN(CCc4ccc(Cl)cc4C(F)(F)F)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cccc(c4)C(F)(F)F)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccccc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(Cc4ccccc4)CCn3c2c(=O)n(C)c1=O
COc1cccc(c1)C#CCN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3CN(CC#N)CCn3c2c(=O)n(C)c1=O
Cc1sc(nc1CN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21)-c1ccc(cc1)C(F)(F)F
Cn1c2nc3CN(Cc4csc(n4)-c4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(Cc4csc(n4)-c4ccc(cc4)C(F)(F)F)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(Cc4csc(n4)-c4cccs4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)C1CCN(Cc2ccccc2)CC1
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)C1Cc2ccccc2C1
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@@H]1CCCc2ccccc12 |r|
Cn1c2nc3CN(CCOc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCOc4cccc(F)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCCn4ccnc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCCc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCn4cccc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cccs4)CCn3c2c(=O)n(C)c1=O
CC(CN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21)c1ccccc1
COc1cccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)c1OC
COc1ccc(Br)cc1CCN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3CN(CCc4ccc(Cl)cc4Cl)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cccc(F)c4F)CCn3c2c(=O)n(C)c1=O
Cc1cc(CN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)n(C)n1
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@H]1CCc2ccccc12 |r|
Cn1c2nc3CN(CCOc4ccccc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cc(ccc4F)C(F)(F)F)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccccc4Br)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccccc4Cl)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccccc4F)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1cccc2ccccc12
COc1cccc(c1)N1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1ccc(F)cc1
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1cccc(F)c1
Cn1c2nc3CN(Cc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(Cc4csc(n4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CC#Cc4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(Cc4nocc4-c4ccccc4)CCn3c2c(=O)n(C)c1=O
COc1cccc2C[C@H](CCc12)N1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21 |r|
Cn1c2nc3CN(CCOc4ccccc4F)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCCc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccc5OCOc5c4)CCn3c2c(=O)n(C)c1=O
COc1cccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)c1
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@@H]1CCc2ccccc12 |r|
Cn1c2nc3CN(CC#Cc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCCc4ccccc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4c(Cl)cccc4Cl)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1ccc(Br)cc1
Cn1c2nc3CN(CCc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cccc(F)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1ccc(Cl)cc1
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1ccccc1
Cn1c2nc3CN(CC(O)c4ccccc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(F)c(Br)c4)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)c(F)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)cc4F)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4c(F)cccc4Cl)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(F)c(Br)c4)CCn3c2c(=O)n(C)c1=O
COc1ccccc1CN1CCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3N(Cc4ccccc4F)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccc(Br)c4)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)c(Cl)c4)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)cc4Cl)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)cc4)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4F)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(F)cc4Cl)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cc(F)c(F)c(F)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccs4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCc4ccncc4)CCCn3c2c(=O)n(C)c1=O
COc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1Cl
Cn1c2nc3N(Cc4ccc(Cl)c(c4)C(F)(F)F)CCCn3c2c(=O)n(C)c1=O
COc1ccc(Cl)c(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1F
Cn1c2nc3N(Cc4cc(ccc4Cl)C(F)(F)F)CCCn3c2c(=O)n(C)c1=O
Cc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Cc1cccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1
Cn1c2nc3N(Cc4ccccc4Br)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4Cl)CCCCn3c2c(=O)n(C)c1=O
COc1ccccc1CN1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3N(CCc4cccnc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cc(Br)ccc4F)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Br)cc4F)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(cc4)C(C)(C)C)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccc(Br)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4Br)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(F)c(Br)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4Br)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cc(Cl)ccc4Cl)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cn[nH]c1 |c:5|
CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cn[nH]c1 |c:6|
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccns1 |c:5|
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cnco1 |c:5|
CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cnco1 |c:6|
O=c1oc(nc2ccccc12)-c1ccccc1
Fc1ccc(cc1)-c1nc2ccccc2c(=O)o1
Clc1ccc(cc1)-c1nc2ccccc2c(=O)o1
Brc1ccc(cc1)-c1nc2ccccc2c(=O)o1
Cc1ccc(cc1)-c1nc2ccccc2c(=O)o1
COc1ccc(cc1)-c1nc2ccccc2c(=O)o1
CCOc1ccc(cc1)-c1nc2ccccc2c(=O)o1
O=c1oc(nc2ccccc12)-c1ccco1
O=c1oc(nc2ccccc12)-c1cccs1
O=c1oc(\C=C\c2ccccc2)nc2ccccc12
O=C1OC(Nc2ccccc12)c1ccccc1
Oc1nc(cc2ccccc12)-c1ccccc1
Oc1nc(nc2ccccc12)-c1ccccc1
Oc1nc(nc2ccccc12)-c1ccc(F)cc1
Clc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br
Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
COc1ccc(cc1)-c1nc(O)c2ccccc2n1
COc1ccc(cc1OC)-c1nc(O)c2ccccc2n1
O=c1[nH]c(nc2ccccc12)-c1ccco1
Oc1nc(nc2ccccc12)-c1cccs1
O=c1[nH]c(C=Cc2ccccc2)nc2ccccc12 |w:5.5|
O=c1oc2ccccc2cc1-c1ccccc1
O=c1oc2ccccc2nc1-c1ccccc1
Nc1nc(NCc2ccc(cc2)S(N)(=O)=O)nc2sc(nc12)-c1ccco1
Nc1nc(NCCc2ccc(cc2)S(N)(=O)=O)nc2sc(nc12)-c1ccco1
Nc1nc(nc2sc(nc12)-c1ccco1)N1CCN(CC1)c1ccc(cc1)S(N)(=O)=O
Nc1nc(NCCN2CCN(CC2)c2ccc(cc2)S(N)(=O)=O)nc2sc(nc12)-c1ccco1
Nc1nc(NCC2CCN(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)CC2)nc2sc(nc12)-c1ccco1
Nc1nc(NCC2CCN(CC(=O)NCc3ccc(cc3)S(N)(=O)=O)CC2)nc2sc(nc12)-c1ccco1
Nc1nc(NCC2CCN(CC(=O)NCCc3ccc(cc3)S(N)(=O)=O)CC2)nc2sc(nc12)-c1ccco1
Nc1nc(nc2sc(nc12)-c1ccco1)N1CCC(CNC(=O)c2ccc(cc2)S(N)(=O)=O)CC1
Nc1nc(nc2sc(nc12)-c1ccco1)N1CCC(CNC(=O)c2cccc(c2)S(N)(=O)=O)CC1
Nc1nc(nc2sc(nc12)-c1ccco1)N1CCC(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1
Nc1nc(nc2sc(nc12)-c1ccco1)N1CCC(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1
CCOC(=O)c1ccc(cc1)N1CCN(CC1)c1nc(N)c2nc(sc2n1)-c1ccco1
NCC1CCN(CCC(=O)Nc2ccc(cc2)-c2cn3c(nn(-c4ccccc4)c3=O)c(N)n2)CC1
NC(=O)C1CCN(CCC(=O)Nc2ccc(cc2)-c2cn3c(nn(-c4ccccc4)c3=O)c(N)n2)CC1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCN2CCN(CC2)c2ccccc2)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCN2CCN(CCO)CC2)cc1
CN1CCN(CCC(=O)Nc2ccc(cc2)-c2cn3c(nn(-c4ccccc4)c3=O)c(N)n2)CC1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCN2CCOCC2)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCN2CCCCC2)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCN2CCCC2)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCC(O)CN2CCOCC2)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCC(O)CN2CCCCC2)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCC(O)CO)cc1
CN1CCN(CCOc2ccc(cc2)-c2cn3c(nn(-c4ccccc4)c3=O)c(N)n2)CC1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCCN2CCOCC2)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCCN2CCCCC2)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCCN2CCCC2)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCCCl)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCCO)cc1
CCOC(=O)CCCNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
COC(=O)[C@@H]1CCCN1c1nc2nn(C)cc2c2nc(nn12)-c1ccco1 |r|
CCOC(=O)CC[C@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)C(=O)OCC |r|
CCOC(=O)C[C@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)C(=O)OCC |r|
CCOC(=O)C(Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)C(O)c1ccccc1
CCOC(=O)[C@H](Cc1ccccc1)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 |r|
CCOC(=O)[C@H](Cc1ccc(O)cc1)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 |r|
CCOC(=O)C(CO)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCOC(=O)[C@@H](Cc1cc2ccccc2[nH]1)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 |r|
CCOC(=O)C(Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1
CCCCC(Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)C(=O)OCC
CCOC(=O)C(CC(C)C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCOC(=O)C(Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)C(C)C
CCOC(=O)C(C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
CCCn1c2ncn(NC(N)=O)c(=N)c2sc1=S
CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1cc(Cl)cc(Cl)c1Cl
CCCCn1c(=O)n(CCCO)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3 |TLB:22:21:26:23.24,THB:22:23:26:20.21.27,24:23:20:26.25.27,24:25:20:23.22|
Clc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
COc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
O=C(Nc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccccc1)-c1ccccc1)c1ccco1
Fc1ccc(C(=O)c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)c(F)c1
Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccccc1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(F)cc1F)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(C)cc1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(OC)cc1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
Clc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
COc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
O=C(Nc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccccc1)-c1ccccc1)c1ccccc1
Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
O=C(Nc1nc(c(s1)-c1ccccn1)-c1ccccc1)c1ccccc1
Fc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)c(F)c1
Cc1cccnc1CNC(=O)c1cnc(nc1N)-c1ccco1
C[C@H](O)COc1nc(nc(N)c1C(=O)NCc1ncccc1C)-c1ccco1 |r|
Cc1cccnc1CNC(=O)c1c(N)nc(nc1OCCF)-c1ccco1
Cc1ccc(o1)-c1nc(N)nc2n(Cc3cccc(CO[C@H]4CCOC4)n3)nnc12 |r|
Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(cc1)S(N)(=O)=O
CN(C)c1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(cc1)S(N)(=O)=O
CCOC(=O)CNc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCC(O)=O)cc1
COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
COc1ccc(cc1OC)C(=O)Nc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)c2ccc(O)cc2)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)c2ccc(O)c(O)c2)cc1
CCOC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)c2ccc(cc2)C(O)=O)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)c2ccc(cc2)C(=O)NO)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)c2cccc(c2)S(N)(=O)=O)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NCc2ccc(cc2)S(N)(=O)=O)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NCC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCNCCc2ccc(cc2)S(N)(=O)=O)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCNCc2ccc(cc2)S(N)(=O)=O)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCNC(=O)c2cccc(c2)S(N)(=O)=O)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCCNCCc2ccc(cc2)S(N)(=O)=O)cc1
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CNC(=O)c4ccc(cc4)S(F)(=O)=O)cc3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CN=C=S)cc3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CNC(=S)Nc4ccc(cc4)N=C=S)cc3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CNC(=O)C4=CC5CCC4C=C5)cc3)ncnc12 |r,c:31,t:24|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCNC(=O)c3ccc(cc3)S(F)(=O)=O)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCN=C=S)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCNC(=S)Nc3ccc(cc3)N=C=S)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCNC(=O)C3=CC4CCC3C=C4)ncnc12 |r,c:36,t:29|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3ccc(cc3)S(F)(=O)=O)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCN=C=S)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=S)Nc3ccc(cc3)N=C=S)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)C3=CC4CCC3C=C4)ncnc12 |r,c:32,t:25|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN=C=S)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCNC(=S)Nc3ccc(cc3)N=C=S)ncnc12 |r|
Cn1cc2c(n1)nc(NC(=O)NCCCCC#C)n1nc(nc21)-c1ccco1
CCCNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)s1 |r|
CCCNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(F)s1 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCC)nc(nc12)C#Cc1ccc(F)s1)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)s1)C(=O)OCC |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)s1)C(=O)NC |r|
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCCCC3)nc12
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC=CC3)nc12 |c:22|
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(O)CC3)nc12
COC1CCN(CC1)C(=O)Nc1nc2c(OC)ccc(N3CCOCC3)c2s1
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(F)CC3)nc12
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCCC(F)C3)nc12
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(CF)CC3)nc12
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(CC3)OCCF)nc12
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(COCCF)CC3)nc12
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(F)(CO)CC3)nc12
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(O)(CF)CC3)nc12
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(O)(CCF)CC3)nc12
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(CC3)C(O)CF)nc12
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(CC3)C(C)(O)CF)nc12
CC1(O)CCN(CC1)C(=O)Nc1nc2c(OCCF)ccc(N3CCOCC3)c2s1
CC(C)COC(=O)C1=C(C)NC(=O)NC1c1ccoc1 |c:7|
CN1C(=O)NC(c2ccco2)C(C(=O)OCc2ccccc2)=C1C |c:23|
COc1cccc(c1)-c1cn2c3ccccc3nc2c(N)n1
Nc1nc(cn2c3ccccc3nc12)-c1cccc(Br)c1
Cc1ccc(cc1)-c1cn2c3ccccc3nc2c(N)n1
Nc1nc(cn2c3ccccc3nc12)-c1ccc(F)cc1F
Nc1nc(cn2c3ccccc3nc12)-c1ccco1
Nc1nc(Cc2ccccc2)cn2c3ccccc3nc12
CC(=O)Nc1cccc(c1)-c1cn2c(nc3ccccc23)c(N)n1
COc1cccc(c1)-c1cn2c(nc3cc(F)c(F)cc23)c(N)n1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)nc(Cl)nc12 |r|
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)nc(Cl)nc12 |r|
Nc1nc(CCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCS(=O)(=O)[C@@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C
N[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
N[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
CNc1ncnc2n(cnc12)[C@@H]1SC[C@@H](N)[C@H]1O |r|
Nc1ccccc1NC(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Nc1nc-2c(Cc3ccccc-23)c(n1)-c1ccc(OCCCN2CCCCC2)cc1
Nc1nc-2c(Cc3cc(OCCCN4CCCC4)ccc-23)c(n1)-c1ccccc1
Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(n1)-c1ccc(OCCCN2CCCCC2)cc1
Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1
Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(n1)-c1ccccc1
Nc1nc-2c(Cc3ccc(OCCCN4CCCCC4)cc-23)c(n1)-c1ccccc1
Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(OCCCN2CCCCC2)cc1
Nc1nc2-c3ccc(OCCCN4CCCC4)cc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(OCCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3ccc(OCCCN4CCCCC4)cc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2-c3cc(OCCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1
O=C(C1CC1)c1ccc(OCCCc2c[nH]cn2)cc1
O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r,wU:4.7,wD:1.0,(5.09,-4.45,;6.42,-5.22,;6.43,-6.76,;7.77,-7.53,;9.09,-6.74,;9.09,-5.21,;7.76,-4.45,;10.43,-7.5,;10.44,-9.04,;9.12,-9.82,;9.13,-11.35,;10.47,-12.12,;11.8,-11.34,;13.26,-11.81,;14.16,-10.57,;13.25,-9.33,;11.79,-9.81,;7.8,-12.13,;6.47,-11.36,;5.14,-12.13,;5.14,-13.68,;6.47,-14.45,;7.81,-13.68,)|
CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C1CCCCC1
CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)OC
CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(O)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)OC
CCCCn1c(=O)n(CCC)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-]
CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-]
CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(O)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-]
CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-]
CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCN=[N+]=[N-]
CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCCCCCN=[N+]=[N-]
CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCN=[N+]=[N-]
CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCOCCN=[N+]=[N-]
CCCCn1c(=O)n(CCC)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCC#C
CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCC#C
CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCC#C
Nc1nc(SCc2ncc[nH]2)nc(-c2ccccc2)c1C#N
Nc1nc(SCc2ncc[nH]2)nc(n1)-c1ccccc1
Nc1nc(SCc2ncc[nH]2)c(C#N)c(n1)-c1ccccc1
Nc1nc(SCc2ncc[nH]2)cc(-c2ccccc2)c1C#N
Nc1cc(-c2ccccc2)c(C#N)c(SCc2ncc[nH]2)n1
Cc1cc(Br)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
Cc1cc(I)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
Cc1cc(F)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
COC(=O)\C=C\c1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)OC(C)(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)COCCNC(=O)OC(C)(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCC(=O)NCCNC(=O)COCCNC(=O)OC(C)(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCCNC(=O)CCNC(=O)CCNC(=O)OC(C)(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCCNC(=O)COCCOCCNC(=O)OC(C)(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CCC(=O)NCCNC(=O)CCNC(=O)CCNC(=O)OC(C)(C)C)(CC1)CC2
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CCC(=O)NCCNC(=O)COCCOCCNC(=O)OC(C)(C)C)(CC1)CC2
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCCNC(=O)COCCNC(=O)OC(C)(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)COCCOCCNC(=O)OC(C)(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CCC(=O)NCCNC(=O)COCCNC(=O)OC(C)(C)C)(CC1)CC2
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1 |c:56,58,t:53|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)CCCCC[N+]1=C(\C=C\C=C\C=C2\N(C)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O |c:42|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1 |c:66,68,t:63|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)CCCCC[N+]1=C(\C=C\C=C\C=C2\N(C)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O |c:52|
CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)C(=O)NCCNC(=O)CCCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)c2nc([nH]c2c1=O)C12CC3CC(CC(C3)C1)C2 |c:47,49,t:44,TLB:74:75:72.73.78:79,THB:76:75:72:78.77.79,76:77:72:80.74.75,74:73:79:80.75.76|
CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)C(=O)NCCNC(=O)CCCCC[N+]2=C(\C=C\C=C\C=C3\N(C)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)c2nc([nH]c2c1=O)C12CC3CC(CC(C3)C1)C2 |c:33,TLB:78:79:76.77.82:83,THB:80:79:76:82.81.83,80:81:76:84.78.79,78:77:83:84.79.80|
CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)C(=O)NCCNC(=O)CCNC(=O)CCCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)c2nc([nH]c2c1=O)C12CC3CC(CC(C3)C1)C2 |c:52,54,t:49,TLB:79:80:77.78.83:84,THB:81:80:77:83.82.84,81:82:77:85.79.80,79:78:84:85.80.81|
CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)C(=O)NCCNC(=O)CCNC(=O)CCCCC[N+]2=C(\C=C\C=C\C=C3\N(C)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)c2nc([nH]c2c1=O)C12CC3CC(CC(C3)C1)C2 |c:38,TLB:83:84:81.82.87:88,THB:85:84:81:87.86.88,85:86:81:89.83.84,83:82:88:89.84.85|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)COc3ccc(\C=C\C4=[N+]5C(C=C4)=Cc4ccc(-c6cccs6)n4[B-]5(F)F)cc3)ncnc12 |r,c:59,61,t:56|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)cc1 |c:51,53,t:48,(40.32,-39.99,;40.32,-38.44,;38.98,-37.67,;38.97,-36.12,;40.32,-35.35,;41.79,-35.82,;42.68,-34.57,;41.77,-33.33,;40.31,-33.81,;38.97,-33.03,;38.97,-31.49,;37.64,-33.81,;36.3,-33.04,;36.29,-31.5,;34.95,-30.73,;37.64,-35.36,;36.3,-36.13,;44.21,-34.55,;44.99,-35.87,;46.52,-35.86,;47.27,-34.52,;48.81,-34.5,;49.6,-35.83,;51.13,-35.81,;51.89,-34.47,;51.92,-37.13,;53.46,-37.12,;54.24,-38.44,;55.78,-38.42,;56.56,-39.75,;55.81,-41.09,;58.1,-39.73,;58.89,-41.05,;60.43,-41.03,;61.21,-42.36,;62.75,-42.34,;63.53,-43.66,;62.78,-45,;65.07,-43.65,;65.85,-44.97,;67.39,-44.95,;68.17,-46.28,;69.71,-46.26,;70.46,-44.92,;72,-44.9,;72.79,-46.22,;74.32,-46.2,;75.82,-46.55,;75.96,-48.09,;74.54,-48.7,;73.52,-47.53,;77.36,-48.75,;78.63,-47.86,;80.13,-48.2,;80.93,-46.88,;79.91,-45.71,;80.26,-44.21,;81.68,-43.6,;81.54,-42.06,;80.03,-41.71,;79.24,-43.04,;78.49,-46.32,;77.07,-45.65,;75.99,-44.57,;77.99,-44.41,;69.67,-43.59,;68.14,-43.62,;46.48,-33.2,;44.95,-33.22,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCNC(=O)CCCCNC(=O)CCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)cc1 |c:63,65,t:60,(15.68,-14.66,;15.67,-13.11,;14.33,-12.34,;14.33,-10.79,;15.68,-10.02,;17.15,-10.49,;18.04,-9.24,;17.13,-8,;15.67,-8.48,;14.33,-7.7,;14.33,-6.15,;12.99,-8.48,;11.65,-7.71,;11.65,-6.16,;10.3,-5.39,;12.99,-10.02,;11.65,-10.8,;19.58,-9.22,;20.35,-10.54,;21.88,-10.53,;22.64,-9.19,;24.18,-9.17,;24.96,-10.5,;26.5,-10.48,;27.26,-9.14,;27.29,-11.81,;28.83,-11.79,;29.61,-13.11,;31.15,-13.09,;31.94,-14.42,;31.18,-15.76,;33.48,-14.4,;34.26,-15.73,;35.8,-15.71,;36.59,-17.03,;35.83,-18.38,;38.13,-17.02,;38.91,-18.34,;40.45,-18.32,;41.24,-19.65,;42.78,-19.63,;43.56,-20.95,;42.81,-22.3,;45.1,-20.94,;45.89,-22.26,;47.43,-22.24,;48.21,-23.57,;49.75,-23.55,;50.54,-24.88,;49.78,-26.22,;52.08,-24.86,;52.86,-26.18,;54.4,-26.17,;55.18,-27.5,;56.72,-27.48,;57.47,-26.14,;59.01,-26.12,;59.8,-27.44,;61.34,-27.42,;62.84,-27.77,;62.98,-29.31,;61.55,-29.92,;60.54,-28.75,;64.38,-29.97,;65.65,-29.08,;67.16,-29.42,;67.95,-28.09,;66.94,-26.93,;67.28,-25.43,;68.71,-24.81,;68.57,-23.27,;67.06,-22.92,;66.26,-24.25,;65.51,-27.54,;64.09,-26.87,;63.01,-25.79,;65.01,-25.63,;56.68,-24.81,;55.15,-24.83,;21.85,-7.86,;20.32,-7.89,)|
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(O)c1
COc1cccc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N
CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(c1)C#N
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(O)c1
COc1cc(OC)cc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N
COc1cc(cc(OC)c1OC)-c1nc(N)nc(-c2ccccc2)c1C#N
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(c1)C#N
COc1ccc(c(OC)c1)-c1nc(N)nc(-c2ccccc2)c1C#N
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(F)cc1F
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(O)cc1
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(F)cc1
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(Cl)c1
Nc1nc(-c2cccc(Cl)c2)c(C#N)c(n1)-c1cccc(Cl)c1
CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(Cl)c1
Nc1nc(-c2ccsc2)c(C#N)c(n1)-c1ccccc1
Cc1ccc(cc1)-c1nc(N)nc(-c2ccccc2)c1C#N
Nc1nc(-c2ccc3OCOc3c2)c(C#N)c(n1)-c1cccc(Cl)c1
CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1
Fc1ccccc1-c1nc(Nc2ccccc2)nc(-c2ccccc2)c1C#N
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1F
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(c1)C#N
CNc1nc(-c2ccco2)c(C#N)c(n1)-c1ccccc1
CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1
COc1ccc(cc1)-c1nc(N)nc(-c2ccccc2)c1C#N
Nc1nc(-c2cccc(Cl)c2)c(C#N)c(n1)-c1cc(Cl)cc(Cl)c1
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2ccccc2c1
Nc1nc(-c2ccco2)c(C#N)c(n1)-c1ccc(F)cc1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(Br)cc1
Nc1nc(-c2ccco2)c(C#N)c(n1)-c1ccccc1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cc(OC)cc(OC)c1
N#Cc1c(nc(Nc2ccccc2)nc1-c1ccc2OCOc2c1)-c1ccccc1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cc(OC)c(OC)c(OC)c1
CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccnc1
Nc1nc(-c2ccc(F)cc2)c(C#N)c(n1)-c1ccc2OCOc2c1
COc1ccccc1-c1nc(N)nc(-c2ccccc2)c1C#N
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(OC)c1
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(F)c1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(Cl)c1
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cc(Cl)cc(Cl)c1
Nc1nc(-c2cccs2)c(C#N)c(n1)-c1ccccc1
N#Cc1cccc(c1)-c1nc(Nc2ccccc2)nc(-c2ccccc2)c1C#N
Oc1cccc(c1)-c1nc(Nc2ccccc2)nc(-c2ccccc2)c1C#N
Nc1nc(-c2ccoc2)c(C#N)c(n1)-c1ccccc1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccnc1
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccnc1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(F)cc1F
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(F)cc1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cc(Cl)cc(Cl)c1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(C)cc1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(F)c1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1F
N#Cc1c(nc(Nc2ccccc2)nc1-c1ccccc1)-c1ccco1
Fc1ccc(cc1)-c1nc(Nc2ccccc2)nc(-c2ccccc2)c1C#N
Cc1ccc(cc1)-c1nc(Nc2ccccc2)nc(-c2ccccc2)c1C#N
N#Cc1c(nc(Nc2ccccc2)nc1-c1ccccc1)-c1cccs1
CNc1nc(-c2ccsc2)c(C#N)c(n1)-c1ccccc1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(O)cc1
N#Cc1c(nc(Nc2ccccc2)nc1-c1ccccc1)-c1ccccc1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccncc1
CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(OC)cc1
COc1ccc(cc1)-c1nc(N)nc(-c2ccc(OC)cc2)c1C#N
COc1cc(cc(OC)c1OC)-c1nc(Nc2ccccc2)nc(-c2ccccc2)c1C#N
COc1cccc(c1)-c1nc(Nc2ccccc2)nc(-c2ccccc2)c1C#N
CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cc(Cl)cc(Cl)c1
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccncc1
Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(cc1)-c1ccccc1
Nc1nc-2c(Cc3ccccc-23)c(n1)-c1ccccc1
Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccco1
Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccccn1
Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1nccs1
Cc1cnc(s1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
Cc1ccc(o1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
Cc1csc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
Cn1ccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
Cc1cccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
Cn1cc(ccc1=O)-c1cnc(N)nc1-c1ccco1
CC(C)c1ccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
CC(C)(C)c1ccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccc(cc3)C#N)ncnc12 |r|
NC(=O)c1ccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
COc1cccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3cccc(Br)c3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccc(Br)cc3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3Cl)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3cccc(Cl)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3cccc(OC)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3cccc(Br)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccc(Br)cc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3Cl)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3cccc(Cl)c3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3)ncnc12 |r|
CC(C)(C)c1ccc(O[C@@H]2CCC[C@H]2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
COc1cccc(O[C@@H]2CCC[C@H]2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Br)c3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3Cl)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Cl)c3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccc(Cl)cc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccc(cc3)C(C)(C)C)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(OC)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Br)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3Cl)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Cl)c3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccc(Cl)cc3)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCNC(=O)CCCCNC(=O)CCCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)cc1 |c:64,66,t:61|
COc1cc(Nc2nc(cc3cn[nH]c23)C#N)cc(OC)c1OC
COc1cc(Nc2nc(cc3c(n[nH]c23)-c2ccccc2)C#N)cc(OC)c1OC
COc1cc(Nc2nc(Cl)cc3c(n[nH]c23)C(C)C)cc(OC)c1OC
COc1cc(Nc2nc(cc3c(n[nH]c23)C(C)C)C#N)cc(OC)c1OC
N#Cc1cc2c(n[nH]c2c(Nc2ccccc2)n1)-c1ccccc1
COc1cc(Nc2nc(Cl)cc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC
COc1cc(Nc2nccc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC
COc1cc(Nc2nc(CN)cc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC
COc1cc(Nc2nc(CNCc3ccccc3)cc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC
COc1cc(Nc2nc(CNCc3cccnc3)cc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC
COc1cc(Nc2nc(CNCC3CCN(C)CC3)cc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC
Cn1nc(NC(=O)CNc2ccccc2)c2cc(Nc3ccccc3)ncc12
O=C(CNc1ccccc1)Nc1n[nH]c2cnc(Nc3ccccc3)cc12
Cn1nc(NC(=O)c2ccccc2)c2cc(Nc3ccccc3)ncc12
Cn1nc(NC(=O)Nc2ccccc2)c2ccnc(NC3CCCCC3)c12
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCC#Cc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCC#Cc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCC#Cc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCc1ccc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)-c1cn(CCCCCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1 |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)-c1cn(CCCCCCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1 |r|
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)-c1cn(CCCCCCCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1 |r|
Nc1sc(CCC(=O)NCCCCCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F |r|
Nc1sc(CCC(=O)NCCCCCCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F |r|
Nc1sc(CCC(=O)NCCCCCCCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCCNC(=O)c4ccccc4)cc3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCCCNC(=O)c4ccccc4)cc3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCCCCNC(=O)c4ccccc4)cc3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)C#CCNC(=O)c3ccccc3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)C#CCCNC(=O)c3ccccc3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)C#CCCCNC(=O)c3ccccc3)ncnc12 |r|
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1cccc(Cl)c1
Cc1ccc(o1)-c1cn2c(nn(Cc3ccccc3)c2=O)c(N)n1
COc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(O)c1
Nc1nc(=N)[nH]c2nc(cc(c12)C(F)(F)F)-c1ccccc1
FC(F)(F)c1cc(nc2[nH]c(=O)[nH]c(=O)c12)-c1ccccc1
CCn1c(nc2c(N)cc(NCCc3ccccc3)cc12)-c1ccco1
CCn1c(nc2c(N)cc(OCCc3ccccc3)cc12)-c1ccco1
Nc1nc(NCCc2ccc(O)cc2)nc(Nc2nnc(s2)-c2ccc(cc2)[N+]([O-])=O)n1
NC1=C(C#N)C(=O)n2nc(nc2C1)-c1ccccc1 |c:1|
NC1=C(C#N)C(=O)n2nc(nc2C1)-c1ccco1 |c:1|
Nc1nc2CCCCc2c(-c2ccc3OCOc3c2)c1C#C
Cc1ccc(cc1)C(=O)Nc1c(CC(=O)NC2CCCC2)[nH]c2ccccc12
Nc1nc(NCc2ccccc2)nc2cn(nc12)-c1ccccc1
Nc1nc(NCCc2ccccc2)nc2cn(nc12)-c1ccccc1
COc1cccc(c1)C(=O)n1nc(nc1N)-c1ccccc1Cl
Nc1nc(cn1C(=O)c1cccc(Cl)c1)-c1ccccc1Cl
Cc1cccc(Nc2nc(NCCCO)nc3n(ncc23)-c2ccccc2)c1
Nc1nsc(n1)-c1ccccc1
Cc1nn(nc1C(N)=O)-c1ccccc1
O=C(NCc1ccccc1)c1ccc2nonc2c1
O=C(Nc1ccc2ccccc2n1)c1ccco1
Nc1ccc2nnc(-c3ccccc3)n2n1
CC(C)n1ncc2cc(cnc12)C(=O)NCc1ccco1
O=c1cc(NCc2ccccc2)nc2ccccn12
Nc1nc(ns1)-c1ccccc1
Cn1c(=O)[nH]c2ccccc2c1=O
CC(C)NC(=O)c1cc([nH]n1)-c1ccccc1
Nc1nc(N)nc(n1)-c1ccccc1
Nc1nsc(n1)-c1ccc(Cl)cc1
CS(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(Cl)c1
Nc1nncc(n1)-c1ccc(Br)cc1
O=C(Nc1ccccc1)Nc1ccccn1
Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccco1
c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O
COc1cc(\C=N\Nc2ncnc3n(ncc23)-c2ccccc2)ccc1O
Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1
CCCCC#Cc1nc(N)c2nc(-c3cccs3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
CC(C)c1nn(C)c2c(NCc3ccccc3)nncc12
Cn1nc(-c2ccccc2)c2cnnc(NCc3ccccc3)c12
Cn1nc(-c2ccccc2)c2cnnc(N3CCOCC3)c12
CC(C)c1n(C)nc2c(NCc3ccccc3)nncc12
Cn1nc2c(NCc3ccccc3)nncc2c1-c1ccccc1
Cn1nc2c(nncc2c1-c1ccccc1)N1CCOCC1
CCCCCCNC(=O)c1cn2c3ccccc3nc2c(N)n1
CC(C)CNC(=O)c1cn2c3ccccc3nc2c(N)n1
Nc1nc(cn2c3ccccc3nc12)C(=O)NCC(F)F
COCCNC(=O)c1cn2c3ccccc3nc2c(N)n1
CC(O)CNC(=O)c1cn2c3ccccc3nc2c(N)n1
CC(CO)NC(=O)c1cn2c3ccccc3nc2c(N)n1
Nc1nc(cn2c3ccccc3nc12)C(=O)NCCCO
Nc1nc(cn2c1nc1ccccc21)C(=O)Nc1ccccc1
Cc1ccc(NC(=O)c2cn3c(nc4ccccc34)c(N)n2)cc1
COc1cccc(NC(=O)c2cn3c4ccccc4nc3c(N)n2)c1
Nc1nc(cn2c1nc1ccccc21)C(=O)Nc1ccc(Cl)cc1
Nc1nc(cn2c1nc1ccccc21)C(=O)Nc1ccccn1
Nc1nc(cn2c1nc1ccccc21)C(=O)NCc1ccccc1
Nc1nc(cn2c3ccccc3nc12)C(=O)NCc1cccc(Cl)c1
Nc1nc(cn2c1nc1ccccc21)C(=O)NCc1ccccn1
Nc1nc(cn2c3ccccc3nc12)C(=O)NCc1ccco1
Nc1nc(cn2c1nc1ccccc21)C(=O)NCc1cccc2cccnc12
Nc1nc(cn2c3ccccc3nc12)C(=O)NCCc1cccc(Cl)c1
COc1ccc(CCNC(=O)c2cn3c4ccccc4nc3c(N)n2)cc1
Nc1nc(cn2c3ccccc3nc12)C(=O)NCCc1ccc(O)cc1
Nc1nc(cn2c3ccccc3nc12)C(=O)NCCc1ccc2OCOc2c1
Nc1nc(cn2c1nc1ccccc21)C(=O)NCCc1ccccn1
Nc1nc(cn2c1nc1ccccc21)C(=O)Nc1cccnc1
Nc1nc(cn2c1nc1ccccc21)C(=O)NCc1cccnc1
Nc1nc(cn2c1nc1ccccc21)C(=O)NCc1ccncc1
Nc1nc(cn2c1nc1ccccc21)C(=O)NCCc1cccnc1
Nc1nc(cn2c1nc1ccccc21)C(=O)NCCc1ccncc1
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCc3ccccc3)nc(I)nc12)C(=O)NC |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(OC)c3)nc(I)nc12 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(O)c3)nc(OCC(C)C)nc12 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(O)c3)nc(OCC3CC3)nc12 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(O)c3)nc(OCCC(C)C)nc12 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(F)c(F)c1 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(I)nc12 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(OC)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r|
Nc1nc(-c2ccco2)c2cnn(CCc3ccc(cc3)C(=O)Nc3ccccc3N)c2n1
Nc1nc(-c2ccco2)c2cnn(Cc3cccc(OCCCCCCC(=O)NO)c3)c2n1
Nc1nc(-c2ccco2)c2cnn(Cc3cccc(OCCCCCCC(=O)NO)n3)c2n1
[H][C@@]12C[C@]1([C@H](O)[C@H](O)[C@H]2CO)n1cnc2c(N)ncnc12
[H][C@]12C[C@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N)ncnc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
CC(C)OC(=O)C1=C(C)Nc2nc3ccc(Cl)cc3n2C1c1ccco1 |c:6|
CCOC(=O)C1=C(C)Nc2nc3ccc(Cl)cc3n2C1c1cocn1 |c:5|
O=C(Nc1nc-2c(Cc3ccccc-23)s1)C12CC3CC1CC(C2)C3 |TLB:18:17:19.20:22,THB:18:19:22:16.17.23,20:19:16:21.22.23,20:21:16:18.19|
CC1(CNc2ncc(-c3ccncc3)c(n2)-c2cccs2)CCOC1
O=c1[nH]nc(NC2CCCC2)c2nnn(Cc3cccs3)c12
CCCCC#Cc1nc(N)c2nc(-c3ccco3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(NC)c2nc(-c3ccco3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(NC)c2nc(-c3cccs3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(NCc2cccc(I)c2)c2nc(-c3cccs3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2nc(-c3cccs3)n([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(Cl)nc2n([C@@H]3SC[C@@H](O)[C@H]3O)c(nc12)-c1ccco1 |r|
O[C@@H]1CS[C@H]([C@@H]1O)n1c(nc2c(NCc3cccc(I)c3)nc(Cl)nc12)-c1ccco1 |r|
Nc1nc(Cl)nc2n([C@@H]3SC[C@@H](O)[C@H]3O)c(nc12)-c1cccs1 |r|
CNc1nc(NCCc2ccc(O)cc2)nc2n([C@@H]3SC[C@@H](O)[C@H]3O)c(nc12)-c1ccco1 |r|
Nc1nc(NCCc2ccc(O)cc2)nc2n([C@@H]3SC[C@@H](O)[C@H]3O)c(nc12)-c1cccs1 |r|
CC(=O)Nc1nc2ccccc2s1
CC1(CCCC1)C(=O)Nc1nc2cc(Br)ccc2s1
CCCCC#Cc1nc2c(N)nc(-c3ccco3)nc2n1[C@@H]1OC[C@@H](O)[C@H]1O
CCCCC#Cc1nc2c(NC)nc(-c3ccco3)nc2n1[C@@H]1OC[C@@H](O)[C@H]1O
CCCCC#Cc1nc2c(N)nc(-c3cccs3)nc2n1[C@@H]1OC[C@@H](O)[C@H]1O
CCCCC#Cc1nc2c(N)nc(-c3ccco3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O
CCCCC#Cc1nc2c(NC)nc(-c3ccco3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O
CCCCC#Cc1nc2c(N)nc(-c3cccs3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O
CCCCC#Cc1nc2c(NC)nc(-c3cccs3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O
CCCCC#Cc1nc2c(NCc3cccc(I)c3)nc(-c3cccs3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O
CCCCC#Cc1nc2c(N)nc(-c3ccco3)nc2[nH]1
CCCCC#Cc1nc2c(NC)nc(-c3ccco3)nc2[nH]1
CCCCC#Cc1nc2c(NC)nc(-c3cccs3)nc2[nH]1
CCCCC#Cc1nc(N)c2nc(-c3ccco3)[nH]c2n1
CCCCC#Cc1nc(NC)c2nc(-c3cccs3)[nH]c2n1
Nc1nc(-c2ccco2)nc2c1nc(-c1ccco1)n2[C@@H]1OC[C@@H](O)[C@H]1O
Nc1nc(-c2ccco2)nc2[nH]c(-c3ccco3)nc12
Nc1nc(-c2cccs2)nc2[nH]c(-c3cccs3)nc12
Cc1ccc(NC(=O)C[C@H](CCC(O)=O)c2noc([C@@H]3C[C@H](CC(C)(C)C)C3)c2C2CC2)c(Cl)c1 |r,wU:19.18,21.21,wD:9.9,(16.24,-21,;15.33,-19.75,;13.8,-19.91,;12.9,-18.67,;13.53,-17.27,;12.62,-16.02,;11.09,-16.18,;10.19,-14.93,;10.46,-17.58,;8.93,-17.74,;8.3,-19.15,;9.21,-20.4,;8.58,-21.8,;7.05,-21.97,;9.48,-23.05,;8.03,-16.5,;8.51,-15.03,;7.26,-14.12,;6.02,-15.03,;4.54,-14.56,;3.84,-13.19,;2.47,-13.89,;1.01,-13.41,;.68,-11.91,;-.79,-11.43,;1.83,-10.88,;.28,-10.41,;3.17,-15.26,;6.49,-16.5,;5.58,-17.74,;4.17,-18.37,;5.41,-19.28,;15.05,-17.1,;15.67,-15.69,;15.96,-18.34,)|
c1ccc(-c2nc3c4ccccc4nc(-c4ccccc4)n3n2)cc1
Nc1nc2c3ccccc3nc(-c3cccs3)n2n1
Nc1nc2c3cc(Br)ccc3nc(-c3ccccc3)n2n1
Nc1nc(I)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CCl)C[C@H]12
CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(I)nc31)[C@H](O)[C@@H]2O
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
O[C@H]1[C@H](n2cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc32)[C@H]2C[C@@]2(CF)[C@H]1O
CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)nc(I)nc31)[C@H](O)[C@@H]2O
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CCCC3)C3CCCC3)nc(Cl)nc12 |r|
O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CF)[C@H]1O
O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(I)nc12 |r|
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
COCCN(CCOC)C(=O)[C@]12C[C@H]1[C@H](n1cnc3c(N)nc(Cl)nc31)[C@@H](O)[C@H]2O
OC[C@H]1O[C@@H](n2cnc3c(N[C@H](C4CCC4)C4CC4)nc(I)nc32)[C@H](O)[C@@H]1O
NC[C@H]1O[C@@H](n2cnc3c(N[C@H](C4CCC4)C4CC4)nc(I)nc32)[C@H](O)[C@@H]1O
Ic1nc(N[C@H](C2CCC2)C2CC2)c2nc[nH]c2n1