386 SMILES Strings for Mitogen-activated protein kinase kinase kinase kinase 2

Compound Name
SMILES String
Cc1nn2c(N)csc2nc1=O
O=C(CCCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1
O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1cc(n[nH]1)-c1ccccc1
CC(=O)c1c(C)[nH]c(C(=O)NC2=NCCS2)c1C |t:11|
Nc1ccc(Nc2ccccc2N)cc1
Cc1cc2cc(CNC(=O)NC3CCCCC3)ccc2[nH]1
Cc1cc2ccccc2n1CCNC(=O)c1ccccc1
COc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
Cc1cc2ccccc2n1CCNC(=O)c1cccs1
CN1CCN(CC(=O)N2CCn3c4C2CCCc4c2cc(ccc32)C2CCCCC2)CC1
CCNc1ccc2noc3-c4ccccc4C(=O)c1c23
CCN1\C(SC(=C1c1ccccc1)c1ccccc1)=C\C=C1/SC(=S)N(C)C1=O |c:5|
CC(=O)Nc1cccc2C(=O)N(C(=O)c12)c1cccc(C)c1
CCN1\C(SC(=C1c1ccccc1)c1ccccc1)=C/C=C1\SC(=S)N(C)C1=O |c:5|
COc1ccc(Cn2cc3c(nnc3c3cc(OC)c(OC)cc23)-c2ccc(F)cc2)cc1
Brc1ccc(cc1)N=CCC=CC=Nc1ccc(Br)cc1 |w:7.7,13.14,10.10|
CNc1nc(cs1)-c1c[nH]c2ccccc12
COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N
Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Brc1ccc2=NC(=O)C(NN=CC3=C(N4CCOCC4)C(CC3)=Cc3ccccc3)=c2c1 |w:10.9,23.25,c:12,32,t:4|
OCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1
CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(C)cc2)c2cc(Br)c(OC(C)=O)cc12
O=C1N(CCCn2ccnc2)C(=S)N\C1=C/c1ccc(cc1)C#N
CC[n+]1c(\C=C\C=C\N(C(C)=O)c2ccccc2)sc2ccccc12
CCOc1ccc(cc1)C1=C\C(=C\c2cccnc2)C(=O)O1 |t:10|
CN(C)c1ccc(\C=C\C=C2\SC(=S)N(C2=O)c2ccccc2)cc1
COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
COc1ccc(Cn2c(SCc3ccccc3C)nc3cc(OC)c(OC)cc3c2=N)cc1
COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1F
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccccc2Cl)cc1 |w:4.3|
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2Cl)cc1 |w:4.3|
[#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#8]-c1ccc2-c3ccc(-[#8]-[#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6])cc3\[#6](=[#7]\[#7]-[#6](=O)-c3ccccn3)-c2c1
COCc1c(C#N)c(NCCc2ccccc2)nc(C)c1[N+]([O-])=O
Clc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc2OCCOc2c1
CS(=O)(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccccc1 |c:5|
CC(=O)Nc1ccc(OCC(O)Cn2c3ccccc3c3ccccc23)cc1
COc1ccc(CSc2nnc(C)[nH]2)cc1[N+]([O-])=O
CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO
[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#7+]=O)-[#6]=[#6]-1 |c:17,23|
CCCCOP(=O)(OCCCC)C(Nc1nnn(CCCC)n1)c1ccc(F)cc1
Cc1ccc(cc1)-c1c[n+](CC(=O)Nc2nc(cs2)-c2ccc(F)cc2)c2CCCn12
Cc1ccnc(NC(=O)C2(CCOCC2)c2cccs2)c1
COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(SCc2ccccn2)s1
CN(C)CCCN(C(=O)c1ccc2CCCCc2c1)c1nc2ccc(Cl)cc2s1
Cc1sc(NC(=O)c2ccccc2)c(C(N2CCN(CCO)CC2)c2ccccn2)c1C
Oc1cc2ccccc2cc1C(=O)NNc1c2ccccc2nc2ccccc12
CCc1ccc(cc1)-c1nn(cc1CSC(N)=N)-c1ccccc1
C=CC#CC[N+]1(CC#Cc2ccccc2)CCOCC1
Oc1cc(cc(O)c1O)C(=O)OCC1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
CCCCCCCCCCCCCCCC[n+]1cccc2ccccc12
COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1cccc(C)c1
COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCCN1CCCCC1 |w:6.6|
CNC(=O)C(=O)Nc1c(C)cc(C)cc1C
COC(=O)[C@H](CCCCN)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)N1CCNCC1
Clc1ccc(Cn2cccc2CN(CCCN2CCCC2)C(=S)Nc2cccc(Cl)c2)cc1
COc1ccc(-c2n[nH]cc2CN2CCCCCCC2)c(OC)c1
Cc1nccn1CCCNCc1cn(nc1-c1ccc(F)cc1)-c1ccc(C)cc1
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CN3CCN(C)CC3)cc12
CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1
FC(F)(F)c1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1
CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(C)c4)C3=O)cc2)CC1
CSc1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1
N#CC(C#N)=c1ccc2=NC34CCCCC3C(C=C(N4c2c1)c1ccccc1)c1ccccc1 |c:18,t:8,(9.64,8,;8.87,6.67,;8.11,5.33,;6.57,5.32,;5.03,5.32,;8.88,4,;10.49,4,;11.28,2.6,;10.46,1.23,;10.93,-.24,;9.69,-1.14,;11.35,-1.27,;12.33,-2.87,;11.63,-4.33,;10.22,-4.27,;9.54,-2.74,;8.08,-3.41,;6.78,-2.46,;6.96,-.87,;8.44,-.24,;8.92,1.23,;8.09,2.6,;5.73,.05,;5.91,1.58,;4.67,2.5,;3.26,1.89,;3.08,.36,;4.32,-.56,;7.93,-4.94,;6.52,-5.57,;6.37,-7.1,;7.62,-8,;9.02,-7.37,;9.18,-5.84,)|
COCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O
COc1ccc(NC(=O)N(CC2CCCO2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1
CCCCn1c(O)c(C=CC=CC=Nc2ccccc2)sc1=S |w:13.13,10.9|
CCN1\C(Sc2ccc(OC)cc12)=C\C(\CC)=C\c1sc2ccc(OC)cc2[n+]1CCCS([O-])(=O)=O
CN1C(=S)S\C(=C\c2ccc(o2)-c2ccccc2)C1=O
CN(C)c1ccc(NC(=O)CN2CCC(O)(CC2)c2ccccc2)cc1
CCCN1C(=S)S\C(=C\C=C2/Sc3ccccc3N2CC)C1=O
CCCSc1ncnc2sc(C)c(C)c12
CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC
CCCCCCOc1ccc(cc1[N+]([O-])=O)[C+](C)[N-]NC1=[NH+]CC[N-]1 |t:21|
NC(=O)CSc1nnc(Cc2ccc3OCOc3c2)o1
CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1C
CCN1\C(Sc2cc(C)ccc12)=C\c1ccc2cc(C)cc(C)c2[n+]1CC
CCN1\C(Sc2cc(C)c(C)cc12)=C/c1ccc2cc(C)ccc2[n+]1CC
CCOC(=O)N1CCN(CC1)c1c(N2CCN(CC2)c2ccccc2F)c(=O)c1=O
Cc1ccc(CN2CCSc3ccc(cc23)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Clc1ccc(NC(=O)c2ccc3c(Cl)c4CCCc4nc3c2)nc1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(OCC(O)CN2CCN(C)CC2)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
Cc1cc2ccccc2n1CCNC(=O)c1ccc(Br)o1
Cc1nc(N)sc1-c1csc(Nc2ncccn2)n1
COc1ccc(cc1)-n1nc2c(N)n[nH]c2cc1=O
Nc1ccc(N)c(c1)C(O)=O
Nc1cc2nc[nH]c2cc1N
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(Br)cc1
COc1ccc(CNC[C@@H](CCCCN(C)Cc2ccc(OC)cc2)N2C[C@@H](N(CCc3ccc(Cl)c(Cl)c3)C(=O)C2=O)c2ccccc2)cc1
CCC(C(=O)NCCC[C@H]1CN2[C@H](CN=C2N1CCc1ccc(Cl)c(Cl)c1)C1CCCCC1)c1ccccc1 |c:14|
COc1ccc(cc1CN1CCc2cc(OC)c(OC)cc2C1C)C1NCCc2c1[nH]c1ccccc21
CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
NC(=[NH2+])SCc1cn(nc1-c1ccc(Br)cc1)-c1ccccc1
CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
CN(C)CCCn1c(SCC(=O)Nc2nc(cs2)-c2cccc(Br)c2)nc2ccccc2c1=O
CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
CC[C@@H](C)C(N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)C(N)CO
CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)C(C)CC
[O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)o1 |w:8.8,c:18|
CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CO
CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1ccc(O)cc1)n1cc(nn1)C(N)CC(C)C
CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
CC(C)CC(N)c1cn(nn1)C(Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)Cc1ccc(O)cc1
CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23
CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1 |c:10,t:7|
Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3CCCc23)n1
CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21
CN(C)CCCNc1cc(nc2c(cnn12)-c1ccc(Cl)cc1)C(C)(C)C
C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1
CN1C(=C=Cc2cc(I)c(O)c(I)c2)C(C)(C)c2ccccc12 |(7.68,-1.39,;7.2,.08,;8.1,1.32,;9.64,1.32,;11.18,1.32,;11.95,-.02,;11.18,-1.35,;11.95,-2.69,;11.18,-4.02,;13.49,-2.69,;14.26,-4.02,;14.26,-1.35,;15.8,-1.35,;13.49,-.02,;7.2,2.55,;8.45,3.46,;6.73,4.02,;5.75,2.09,;4.41,2.86,;3.08,2.09,;3.08,.55,;4.41,-.22,;5.75,.55,)|
COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(C(C)C)c(O)cc3C)c2c1
Cc1ccc(cc1\N=N\c1cc(C)c(N)cc1N)\N=N\c1cc(C)c(N)cc1N
COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)cc1 |w:16.16|
CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16|
CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc2OCOc2c1 |w:16.16|
CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cccc(OC)c1 |w:16.16|
[O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1 |t:20,36|
CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7|
CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CC(C)C
CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CO
CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc(OC)c3)cc2C(F)(F)F)CC1
COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(Cc1ccccc1)C(C)C
CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cnn(c4N)-c4ccccc4)cc(OC)c3)cc2C(F)(F)F)CC1
CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc4OCOc4c3)c(OC)cc(OC)c12
CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc4OCOc4c3)c(OC)cc(OC)c12
CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc(OC)cc3)c(OC)cc(OC)c12
CCCCCc1cc(=O)oc2c(C(CCN3CCCC3)c3ccc(cc3)N(C)C)c(OC)cc(OC)c12
CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc(OC)cc3)c(OC)cc(OC)c12
CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C([C@@H](C)CC)n1cc(nn1)C(N)COC(=O)C(F)(F)F
CN(c1ccccc1)c1ccc(C=c2s\c(=C(\C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
CCCCCCCCCCOC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
CCCCCCCCCCOC(=O)Cn1c(COc2ccc(C)cc2)[n+](C)c2ccccc12
COc1ccc(cc1)-c1csc(n1)N(CCCN(C)C)C(=O)c1ccccc1Cl
COc1ccc2nc(C)cc(N=NCc3cccc(OC)c3O)c2c1 |w:11.10|
COc1ccc(CN=Nc2cc(C)nc3ccc(Br)cc23)cc1 |w:8.8|
CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc12
COc1ccc(cc1)C(CCNCc1ccc(OC(C)C)cc1)c1ccccc1OC
CCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
CCCN(CCC)CCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O |w:16.16|
CCCCN(CC)CCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
[#6]-[#6]-[#6]-[#8]-c1ccc2-c3ccc(-[#8]-[#6]-[#6]-[#6])cc3\[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1
CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
CCOC(=O)c1c(NC(=O)CNCCN(C)C)scc1-c1ccc(cc1)-c1ccccc1
Cc1ccccc1OCC(O)CNC1CCC(CC1)NCC(O)COc1ccccc1C |(4.41,-6.16,;4.41,-7.7,;3.08,-8.47,;3.08,-10.01,;4.41,-10.78,;5.75,-10.01,;5.75,-8.47,;7.08,-7.7,;7.08,-6.16,;8.41,-5.39,;9.75,-6.16,;8.41,-3.85,;9.75,-3.08,;9.75,-1.54,;8.41,-.77,;8.41,.77,;9.75,1.54,;11.08,.77,;11.08,-.77,;9.75,3.08,;11.08,3.85,;11.08,5.39,;9.75,6.16,;12.42,6.16,;12.42,7.7,;13.75,8.47,;13.75,10.01,;15.08,10.78,;16.42,10.01,;16.42,8.47,;15.08,7.7,;15.08,6.16,)|
CCc1cccc2c(c[nH]c12)-c1csc(NC(C)COC)n1
CCN1\C(Sc2ccccc12)=C\C=C\C=C\C=C\c1sc2ccccc2[n+]1CC
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1cc(C)ccc1C
Nc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccc(N)cc2[nH]1
CC(C)\N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(c2)C(F)(F)F)=N[C@H]1c1cccc(F)c1 |c:4,29|
CCc1ccc(Nc2n[n+](c(s2)-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)cc1
CCc1ccc(Nc2n[n+](c(s2)-c2cc(OC)c(OC)cc2Br)-c2ccccc2)cc1
CCc1ccc(Nc2n[n+](c(s2)-c2ccc(OC)c(Br)c2)-c2ccccc2)cc1
CC(C)n1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cn1
CC[C@@H](C)[C@H](CNC)NC[C@@H](Cc1cccc2ccccc12)NCCc1cccc(c1)C(F)(F)F
[H]C12CC3([H])CC([H])(C1)CC(CCN[C@H](CN[C@H](CNC)CC1CCCCC1)Cc1ccccc1)(C2)C3 |TLB:5:3:35:6.9.8,THB:2:3:9:1.35.8,5:6:35:3.36.2|
Fc1cccc(F)c1OCc1cc(no1)C(=O)N1C[C@H]2CC[C@H]1C2 |TLB:15:17:23:20.21|
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)C(=O)c4c[nH]c5ccccc45)c3)cc2C(F)(F)F)CC1
Cc1nc(Nc2cnc(\C=C\c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc(n1)N1CCNCC1
CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(c4)-c4cccs4)cc(OC)c3)cc2C(F)(F)F)CC1
CC(=NNC(=O)c1cc(O)cc(O)c1)c1ccc(NC(=O)Cc2ccccc2)cc1 |w:2.2|
Fc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(CC=C)C2=O)o1
NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,10.11|
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(F)cc2s1
CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
C1CCC(CC1)c1nn2c(nnc2s1)-c1ccco1
COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1ccccn1
c1c[nH]c(c1)-c1nn2c(nnc2s1)-c1ccco1
C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccco1
COc1cc(ccc1-c1nn2c(nnc2s1)-c1ccco1)[N+]([O-])=O
C1CCC(CC1)c1nn2c(nnc2s1)-c1ccccn1
c1c[nH]c(c1)-c1nn2c(nnc2s1)-c1ccccn1
C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccccn1
COc1cc(ccc1-c1nn2c(nnc2s1)-c1ccccn1)[N+]([O-])=O
COc1cccc(c1)-c1nn2c(nnc2s1)-c1ccccn1
CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
C(c1cccs1)c1nn2c(nnc2s1)-c1ccncc1
CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1cccs1
CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5
COc1cccc(c1)-c1cc2nccn2c(Nc2ncccc2C(N)=O)n1
Cc1ccccc1-c1cc2nccn2c(Nc2ncccc2C(N)=O)n1
COc1ccc(cc1)-c1cccc(c1)-c1cc2nccn2c(Nc2ncccc2C(N)=O)n1
NC(=O)c1cccnc1Nc1nc(cc2nccn12)-c1ccc2OCOc2c1
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10|
COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|
CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(45.25,-13.26,;43.74,-12.95,;43.27,-11.48,;42.72,-14.09,;41.21,-13.77,;40.18,-14.92,;40.73,-12.31,;39.23,-11.99,;38.75,-10.54,;39.78,-9.39,;41.28,-9.69,;41.76,-11.16,;39.29,-7.93,;40.2,-6.67,;41.74,-6.66,;42.5,-5.32,;41.72,-4,;44.04,-5.31,;44.81,-6.64,;46.35,-6.63,;47.13,-7.96,;47.11,-5.3,;46.33,-3.96,;47.08,-2.62,;44.79,-3.98,;39.28,-5.42,;37.81,-5.91,;36.47,-5.15,;35.14,-5.92,;35.14,-7.46,;33.81,-8.23,;32.48,-7.46,;32.49,-5.92,;31.16,-5.15,;29.82,-5.91,;29.82,-7.45,;31.15,-8.23,;28.48,-5.13,;27.71,-3.79,;29.25,-3.79,;27.16,-5.9,;36.48,-8.23,;37.82,-7.46,)|
CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)|
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1C[C@@H](N)C[C@H]1CO |r|
COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@@H](N)C[C@H]1CO |r|
COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H]2C[C@H]1CN2)-c1cccnc1C |r|
COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cccnc1C |r|
COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N |r|
COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1ncccc1C#N |r|
COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1c(cnn1C)C#N |r|
COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1c(C)nn(C)c1C#N |r|
COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@H]2C[C@@H]1CN2 |r|
Oc1ccc(cc1)C1c2c[nH]c3nccc(-c4ccccc4NC1=O)c23
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(CC)c3-c2c1
CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
C[C@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
CN1C(=O)N(Cc2cnc(Nc3ccccc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CN1C(=O)N(Cc2cnc(Nc3cnn(C)c3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)ccc1C
CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(C)nc4)nc3N(C)C2=O)C1
Cc1ccc(Nc2ncc3CN(C(=O)N(Cc4ccccc4)c3n2)c2cc(NC(=O)c3ccc(C)c(c3)C(F)(F)F)ccc2C)cn1
CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)N2CCC(O)CC2)ccc1C
CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4cc(C)nn4C)nc3N(C)C2=O)C1
Cc1ccc(Nc2ncc3CN(C(=O)N(C4CCCCC4)c3n2)c2cc(NC(=O)c3ccc(C)c(c3)C(F)(F)F)ccc2C)cn1
CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4cnn(C)c4)nc3N(C)C2=O)C1
CCN1CCN(CC1)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1
CN1C(=O)N(Cc2cnc(NCCO)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Cc1ccc(cc1N2Cc3cnc(nc3N(C2=O)C)Nc4ccc(nc4)N5CCN(CC5)C(=O)C)NC(=O)c6cccc(c6)C(F)(F)F
CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
CN1C(=O)N(Cc2cnc(Nc3cc(C)nn3C)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CN1C(=O)N(Cc2cnc(NC3CC3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CN1C(=O)N(Cc2cnc(NC3CCCCC3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccccc2)ccc1C
CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)ccc1C
CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)N2CCOCC2)ccc1C
CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccc(c(c2)C(F)(F)F)-n2cccc2)ccc1C
CN1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)nc3)nc2N(C)C1=O
CCN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)ccc1C
Cc1ccc(Nc2ncc3CN(C(=O)N(C4CC4)c3n2)c2cc(NC(=O)c3ccc(C)c(c3)C(F)(F)F)ccc2C)cn1
Cc1ccc(Nc2ncc3CN(C(=O)N(c4ccccc4)c3n2)c2cc(NC(=O)c3ccc(C)c(c3)C(F)(F)F)ccc2C)cn1
CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(nc4)N4CCN(CC4)C(C)=O)nc3N(C)C2=O)C1
CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3ccc(CN4CCC(C4)N(C)C)c(c3)C(F)(F)F)ccc2C)cn1
CCN1CCN(CC1)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(C)nc4)nc3N(C)C2=O)CC1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc(Br)[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3oc(nc3I)-c3ccc[nH]3)c12
COc1cc2c(c[nH]c2cc1Br)-c1cnc(o1)-c1ccc[nH]1
COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3cc(Br)c[nH]3)c12
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CN1CCN(CC1)C(=O)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
CC(C)(O)Cn1cc(cn1)-c1cnc2Nc3ccc(C#N)c(CCCCOc4ccccc4[C@@H](CO)Nc1n2)c3 |r|
CCS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
CC1(C)NC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4ccc(F)cc4)n3)cc12 |r|
C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]ncc45)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc45)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC)ncn4)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(NC)n4)c3)cc2C(F)(F)F)CC1
CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4c5cc(c(cc5ncn4)OC)OC)C
CCN1CCN(Cc2ccc(NC(=O)c3cccc(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc(C(F)(F)F)c2)cn1
Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Oc1ncnc2[nH]ccc12
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(CCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(OCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1
CNc1cc(Oc2cc(C(=O)Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)ccc2C)ncn1
CNc1cc(Oc2cc(C(=O)Nc3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)ncn1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(OC)c(Oc4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC