2614 SMILES Strings for Muscarinic acetylcholine receptor M4

Compound Name
SMILES String
CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1
CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Cl)cc1
COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc2OCOc2c1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1F
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1Cl
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(Cl)c1
Cc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccncc1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccnc1
Cc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(cc1)C(F)(F)F
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Br)cc1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC(F)(F)F)cc1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(F)c(F)c1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(F)c1F
COc1ccc(CNC(=O)c2sc3nc(OCCCN(C)C)cc(C)c3c2N)cc1
COc1ccc(CNC(=O)c2sc3nc(OCCN(C)C)cc(C)c3c2N)cc1
COc1ccc(CNC(=O)c2sc3nc(OCCN4CCOCC4)cc(C)c3c2N)cc1
COc1ccc(CNC(=O)c2sc3nc(OCCN4CCCC4)cc(C)c3c2N)cc1
COc1ccc(CNC(=O)c2sc3nc(OCC4CCCN(C)C4)cc(C)c3c2N)cc1
CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC)cc1
COc1ccc(CNC(=O)c2sc3nc(OC(C)C)cc(C)c3c2N)cc1
COc1ccc(CNC(=O)c2sc3nc(OCc4ccncc4)cc(C)c3c2N)cc1
COc1ccc(CNC(=O)c2sc3nc(OCc4cccnc4)cc(C)c3c2N)cc1
COc1ccc(CNC(=O)c2sc3nc(OCc4ccccn4)cc(C)c3c2N)cc1
CCCCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC)cc1
CN(C)CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NC1COC1
CN(C)CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F
Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC3COC3)c(N)c12
COCCCNC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N
CC(C)NC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N
Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC(C)(C)C)c(N)c12
Cc1cc(OCc2ccccn2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
Cc1cc(OCc2ccccn2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12
Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12
Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)Nc3ccccc3)c(N)c12
CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|
OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1 |c:17|
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
CN(C)CC\C=C1/c2ccccc2Sc2ccc(Cl)cc12
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
CN(C)CCOC(c1ccccc1)c2ccccc2
CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2ccccc12 |t:8|
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O
CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1
c1ccc(cc1)C(c2ccccc2)(C(=O)O)O
CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8|
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:8:9:1:3.5.4,8:7:1:3.5.4,0:1:9.7:3.5.4,THB:10:4:9.7:1|
CN1CCN(CC1)C1=Nc2cscc2C(=CC#N)c2cscc12 |w:15.17,t:8|
CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1
CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
O[Si](CCCN1CCCCC1)(C1CCCCC1)c1ccccc1
COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
CCN(CCCC(=O)C1CCCCC1)C(C)Cc1ccc(OC)cc1
OC(C#CCN1CCCCC1)(C1CCCCC1)c1ccccc1
CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc12
CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12
CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
C[C@H]1OC(=O)C2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3C)C12
CCC(C)C(NC(=O)C(CO)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1)C(=O)NC(CC(O)=O)C(O)=O
C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1
C[N+]1([SiH3])CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1
CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
CN(C)CCSC(=O)N1c2ccccc2C(C)(C)c2ccccc12
CN1CCN(C[C@@H]2[C@@H](Sc3ccccc3NC2=O)c2ccccc2)CC1
CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1
CCN(CC)CC#CCC(=O)C(c1ccccc1)c1ccccc1
CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1
CC1CC(CC(C)(C)N1C)OC(=O)C(O)c1ccccc1
CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](c3ccccc3)O
CC(C)[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)C
CN(C)CCOC(c1ccccc1)c1ccccc1C
CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1
CCN1CCCC(C1)OC(=O)C(c1ccccc1)c1ccccc1
CCCN(CCCl)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc3ccccc23)CC1
CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1
CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
CN(C)Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:9|
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
CNCCCN1c2ccccc2CCc3c1cccc3
N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4|
CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CC
COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
CN(C)CCCN1c2ccccc2CCc3c1cccc3
CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
C(C1C[NH+]2CCC1CC2)N1c2ccccc2Sc2ccccc12 |THB:0:1:5.4:7.8,(14.51,-5.48,;15.79,-4.74,;17.21,-5.13,;17.6,-2.22,;20.16,-.74,;19.42,.54,;16.17,-1.84,;14.72,-.36,;16,.37,;14.51,-6.96,;15.79,-7.7,;17.11,-6.91,;18.45,-7.67,;18.45,-9.21,;17.11,-9.97,;15.79,-9.18,;14.51,-9.92,;13.22,-9.18,;11.9,-9.97,;10.56,-9.21,;10.56,-7.67,;11.9,-6.91,;13.22,-7.7,)|
c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F
[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
CN(CCCCCCNCCCCCCCCNCCCCCCN(CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
CC(=O)OC1CN2CCC1CC2 |(10.76,-5.27,;9.32,-4.51,;9.32,-2.9,;7.94,-5.34,;6.53,-4.61,;6.53,-3.08,;5.18,-2.29,;4.35,-3.24,;4.35,-4.51,;5.2,-5.39,;3.85,-4.62,;3.85,-3.08,)|
C[N+](C)(C)CCOC(=O)N
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|
COc1cc(CCN)ccc1O
O[Si](CCCN1CCCCC1)(C1CCCCC1)c1ccc(F)cc1
CCCCCCOc1c(nsn1)C2=CCCN(C2)C
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
NC1=COC=C(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)N1 |r,t:1,4|
c1ccc(cc1)C(c2ccccc2)([C@@H]3CCN(C3)CCc4ccc5c(c4)CCO5)C(=O)N
C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1 |(14.79,-5.45,;13.26,-5.32,;12.37,-6.6,;12.89,-8.07,;11.66,-9,;10.38,-8.12,;10.82,-6.64,;9.88,-5.4,;8.44,-5.96,;7.22,-5.01,;8.49,-3.99,;8.96,-4.86,;10.1,-3.86,;8.91,-2.91,;7.44,-3.72,;15.47,-6.86,;16.24,-8.18,;16.99,-9.52,;18.54,-9.52,;19.29,-10.85,;18.51,-12.2,;16.98,-12.2,;16.22,-10.85,)|
C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.45,.06,;3.22,1.4,;4.76,1.4,;5.39,2.81,;6.92,2.64,;7.24,1.14,;5.91,.37,;5.51,-1.12,;6.28,-2.45,;5.51,-3.79,;3.97,-3.79,;3.2,-2.45,;3.97,-1.12,;5.3,-1.89,;4.21,-2.98,;.91,.06,;-.63,.06,;-2.17,.06,;-2.94,-1.27,;-4.48,-1.27,;-5.25,.06,;-4.48,1.4,;-2.94,1.4,;-6.79,.06,;-8.33,.07,;-9.87,.06,;-10.64,1.4,;-12.18,1.4,;-12.8,2.81,;-14.33,2.64,;-14.66,1.14,;-13.32,.37,;-12.92,-1.12,;-13.69,-2.45,;-12.92,-3.79,;-11.38,-3.79,;-10.61,-2.45,;-11.38,-1.12,;-12.72,-1.89,;-11.63,-2.98,)|
C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.66,-.26,;4,.51,;5.33,-.26,;6.58,.64,;7.82,-.26,;7.35,-1.73,;5.81,-1.73,;4.72,-2.82,;4.72,-4.36,;3.38,-5.13,;2.05,-4.36,;2.05,-2.82,;3.38,-2.05,;4.15,-3.38,;2.67,-3.78,;1.33,.51,;-0,1.28,;-1.34,2.05,;-1.34,3.59,;-2.67,4.36,;-4,3.59,;-4,2.05,;-2.67,1.28,;-5.34,1.28,;-6.67,.51,;-8.01,-.26,;-9.34,.51,;-10.67,-.26,;-11.92,.64,;-13.16,-.26,;-12.69,-1.73,;-11.15,-1.73,;-10.06,-2.82,;-10.06,-4.36,;-8.73,-5.13,;-7.39,-4.36,;-7.39,-2.82,;-8.73,-2.05,;-9.5,-3.38,;-8.01,-3.78,)|
CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
[#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
CC(=O)OCC[N+](C)(C)C
CC(CCCC(O)C[N+](C)(C)C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
CC(CCC(=O)NCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N
NC(CSSCC(N)C(O)=O)C(O)=O
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCSC1=O |r|
CSCC[C@H](C(=O)O)N
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
C(CS)[C@@H](C(=O)O)N
C([C@H](C(=O)O)N)S(=O)(=O)O
C([C@@H](C(=O)O)N)S
NC(CS(O)=O)C(O)=O
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@H]1CCSC1=O |r|
C[C@@H](Cc1ccc2c(c1)OCO2)NC
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
Cc1n(CC#CCN2OCCC2=O)cc[n+]1C
Cc1nccn1CC#CCN1OCCC1=O
Cc1n(CC#CCOC2=NOCC2)cc[n+]1C |t:8|
Cc1nccn1CC#CCOC1=NOCC1 |t:12|
Cc1nccn1CC#CCOc1ccon1
Cc1n(CC#CCOc2ccon2)cc[n+]1-c1ccc(Br)cc1
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
[O-]C(=O)c1ccccc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1nccn1C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccn1CC(=O)NC1CCCCC1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cccc1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cccn1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1ccc(Cl)cc1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc[nH]n1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1ccnn1C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cc(cn1)-c1ccc(Cl)cc1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccn1C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccn1CC
CCCn1ccnc1C1CCN(CC1)C1CCCN(CC1)C(=O)OCC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)(OC)c1nccn1C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ccnn1C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nnc(o1)C(C)C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1ccc(C)n1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(n[nH]1)-c1cccs1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cc(cn1)-c1ccc(F)cc1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccn1CC(=O)NC1CC1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C1CC1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C(=O)N(C)C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1cnn(c1)C(C)C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1COC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C(=O)NCC1CC1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1sc(C)nc1C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccs1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C#N
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1CNC(C)=O
CCOC(=O)N1CCC(CN2CC(C2)n2cccn2)CC1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ccncc1
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1ccncc1
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccc(OC)n1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccc(OC)n1
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccnc1OC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1ccnc(C)n1
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1nc(OC)cc(OC)n1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccn(C)c1=O
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccnc1OC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(C)cnc1OCC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(cnc1OC)C(F)(F)F
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ccncc1OC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cncc(OC)c1
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccnc1C
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cc(C)cnc1OCC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cnccc1OC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccnc1N(C)C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cncc(n1)N(C)C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cncnc1OC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC(F)F
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OCC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OCc1cc(C)no1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC(C)C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccn(CC#N)c1=O
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccn(CC)c1=O
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(Cl)cnc1OC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nc(C)cnc1C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nc(ncc1OC)C(F)(F)F
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1-c1cnn(c1)C(C)C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1NC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nc(C)ncc1OC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1-c1ccnn1C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1N(C)C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1C1CC1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1NCC1CC1
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1nccs1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C(F)(F)F
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1CC
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nnccc1OC
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccc(OCC)n1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1-c1cnn(C)c1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccn1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cncnc1C
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OCc1cscn1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1CC(C)C
COC(=O)N1CCC(CN2CCC(C2)n2nc(C)cc2C)CC1
CCOC(=O)N1CCC(CN2CCC(C2)n2nc(C)cc2C)CC1
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1-c1ncco1
CCOC(=O)N1CCC[C@@H](CC1)N1CCC(CC1)n1cccn1 |r|
CCOC(=O)N1CCC[C@H](CC1)N1CCC(CC1)n1cccn1 |r|
CCOC(=O)N1CCC[C@@H](CC1)N1CCC(CC1)c1nccn1C |r|
CCOC(=O)N1CCC[C@@H](CC1)N1CCC(CC1)c1cccnc1OC |r|
CCOC(=O)N1CCC[C@H](CC1)N1CCC(CC1)c1cccnc1OC |r|
Cc1nnc2sc3c(NCc4ccc(cc4)C(C)(C)O)ncnc3c2c1C
CN(C)c1ncnc2c1sc1nnc(C)c(C)c21
Cc1nnc2sc3c(NC4CCCCC4)ncnc3c2c1C
Cc1nnc2sc3c(NC4CCOCC4)ncnc3c2c1C
Cc1nnc2sc3c(ncnc3c2c1C)N1CCCCC1
Cc1nnc2sc3c(NC4CCC4)ncnc3c2c1C
Cc1nnc2sc3c(ncnc3c2c1C)N1CCCC1
Cc1nnc2sc3c(NC4CN(C4)c4ncc(cn4)C(F)(F)F)ncnc3c2c1C
Cc1nnc2sc3c(ncnc3c2c1C)N1CCN(CC1)C1CC1
Cc1nnc2sc3c(ncnc3c2c1C)N1CCC1
Cc1nnc2sc3c(ncnc3c2c1C)N1CC2CC2C1
CN(C)C1CCN(C1)c1ncnc2c1sc1nnc(C)c(C)c21
COCCN(C)c1ncnc2c1sc1nnc(C)c(C)c21
Cc1nnc2sc3c(ncnc3c2c1C)N1CC2(COC2)C1
COCC1CN(C1)c1ncnc2c1sc1nnc(C)c(C)c21
Cc1cnc2sc3c(ncnc3c2c1)N1CCCC1
Cc1cnc2sc3c(ncnc3c2c1)N1CCC(F)(F)C1
Cc1cnc2sc3c(NC4CN(C4)c4ncc(cn4)C(F)(F)F)ncnc3c2c1
Cc1cnc2sc3c(ncnc3c2c1)N1CCC1
Cc1cnc2sc3c(ncnc3c2c1)N1CC2(COC2)C1
FC(F)(F)c1cnc(nc1)N1CC(C1)Nc1ncnc2c1sc1nccnc21
Cc1nnc2sc3c(ncnc3c2c1C)N1CC(F)(F)C1
Cc1nnc2sc3c(NC4CN(C4)c4ccc(nc4)C(F)(F)F)ncnc3c2c1C
Cc1nnc2sc3c(NC4CCN(C4)c4ccccc4)ncnc3c2c1C
Cc1nnc2sc3c(ncnc3c2c1C)N1CC(C1)c1ccncc1
Cc1nnc2sc3c(NC4CC4)ncnc3c2c1C
COc1ccc(cc1)C1CC1Nc1ncnc2c1sc1nnc(C)c(C)c21
COc1ccc(CNc2ncnc3c2sc2nnc(C)c(C)c32)cc1F
Cc1nnc2sc3c(ncnc3c2c1C)N1CCC(C1)c1ccccc1
Cc1nnc2sc3c(NCc4ccc(cc4)-c4cccnc4F)ncnc3c2c1C
Cc1nnc2sc3c(ncnc3c2c1C)N1CC(C1)Oc1ccc(F)cc1
Cc1nnc2sc3c(ncnc3c2c1C)N1CC(C1)Oc1ccccc1F
Cc1nnc2sc3c(ncnc3c2c1C)N1CC(C1)Oc1cccc(F)c1
Cc1nnc2sc3c(ncnc3c2c1C)N1CC(C1)Oc1ccccc1
Cc1nnc2sc3c(ncnc3c2c1C)N1CC(C)(O)C1
CC(=O)N1CC(C1)Nc1ncnc2c1sc1nnc(C)c(C)c21
Cc1nnc2sc3c(ncnc3c2c1C)N1CC(=O)C1
Cc1nc2oc3c(NC4CC(F)(F)C4)ncnc3c2c(C)c1Cl
Cc1nc2oc3c(NC4CC4)ncnc3c2c(C)c1Cl
Cc1nc2oc3c(NCc4ccc(cc4)C(C)(C)O)ncnc3c2c(C)c1Cl
Cc1nc2oc3c(NC4CC4(C)C)ncnc3c2c(C)c1Cl
CCC1CC1Nc1ncnc2c1oc1nc(C)c(Cl)c(C)c21
Cc1nc2oc3c(ncnc3c2c(C)c1Cl)N1CCC1
CN(C)c1ncnc2c1oc1nc(C)c(Cl)c(C)c21
CNc1ncnc2c1oc1nc(C)c(Cl)c(C)c21
CCCNc1ncnc2c1oc1nc(C)c(Cl)c(C)c21
CC(C)CNc1ncnc2c1oc1nc(C)c(Cl)c(C)c21
CCNc1ncnc2c1oc1nc(C)c(Cl)c(C)c21
Cc1nc2oc3c(ncnc3c2c(C)c1Cl)N1CCCC1
Cc1nc2oc3c(NC4CCC4)ncnc3c2c(C)c1Cl
Cc1nc2oc3c(NC4CCCC4)ncnc3c2c(C)c1Cl
Cc1nc2oc3c(NC4CC4c4ccc(F)c(F)c4)ncnc3c2c(C)c1Cl
Cc1nc2oc3c(NCC4CCC4)ncnc3c2c(C)c1Cl
COCCCNc1ncnc2c1oc1nc(C)c(Cl)c(C)c21
Cc1ncc(CNc2ncnc3c2oc2nc(C)c(Cl)c(C)c32)cn1
Cc1cc(C)c2c(n1)oc1c(NC3CCC3)ncnc21
Cc1cc(C)c2c(n1)oc1c(ncnc21)N1CC2(COC2)C1
Cc1cc(C)c2c(n1)oc1c(NCc3cccc(c3)C(C)(C)O)ncnc21
Cc1cc(C)c2c(n1)oc1c(NC3CN(C3)c3ncc(F)cn3)ncnc21
Cc1cc(C)c2c(n1)oc1c(NC3CN(C3)c3cc(Cl)ncc3Cl)ncnc21
Cc1cc(C)c2c(n1)oc1c(NC3CC3c3ccc(F)c(F)c3)ncnc21
Cc1cc(C)c2c(n1)oc1c(NC3CC3)ncnc21
Cc1nnc2oc3c(NC4CN(C4)c4ncc(cn4)C(F)(F)F)ncnc3c2c1C
Cc1nnc2oc3c(NCc4ccc(cc4)C4(O)CCC4)ncnc3c2c1C
Cc1nnc2oc3c(NCc4ccc(cc4)C(C)(C)O)ncnc3c2c1C
Cc1nnc2oc3c(NCc4cccc(c4)C4(O)CCC4)ncnc3c2c1C
Cc1nnc2oc3c(NCc4cccc(c4)C(C)(C)O)ncnc3c2c1C
Cc1nnc2oc3c(NC4CC4)ncnc3c2c1C
Cc1nnc2oc3c(NC4CCC4)ncnc3c2c1C
Cc1nnc2oc3c(NC4CCCC4)ncnc3c2c1C
Cc1nnc2oc3c(NC4CC5(COC5)C4)ncnc3c2c1C
Cc1nnc2oc3c(NC4CC(F)(F)C4)ncnc3c2c1C
Cc1nnc2oc3c(ncnc3c2c1C)N1CC2(COC2)C1
Cc1nnc2oc3c(NCc4ccc(nc4)C(C)(C)O)ncnc3c2c1C
COc1ccc(CNc2ncnc3c2oc2nnc(C)c(C)c32)cc1F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N
C[C@@H]1CN(CCN1C(=O)NC[C@@H](CC([O-])=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
C[C@@H]1CN(CCN1C(=O)N(C)C[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
C[C@@H]1CN(CCN1C(=O)N(C)CCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N
CO[C@H](CNC(=O)N1CCN(C[C@H]1C)c1ccc(F)c(c1)C#N)C1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(I)cc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)nc1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cc1F)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)cc(c1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cn1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nccc(n1)C#N
C[C@@H]1CN(CCN1C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1CO)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
OCC1CN(Cc2ccccc2)CCC1CCNC(=O)N1CCN(CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1(CO)CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N
C[C@@H]1CN(CCN1C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
COc1ccnc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(C)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2OC(F)(F)Oc2c1
COc1cccnc1N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C)nc1
C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nc(Cl)cc(n1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(ccn1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C)c(F)c1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nccc(n1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(OC(F)(F)F)c1
C[C@@H]1CN(CCN1c1cc(F)c(F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1c1ccc(OC(F)(F)F)cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(C)n1
C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N
C[C@@H]1CN(CCN1c1ccc(OC(F)(F)F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cncc(c1)C#N
C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C#N
COc1nc(ncc1C#N)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1nc(ncc1F)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc(cc1C#N)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(nc1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)nc1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)cc1F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nc(cc(n1)C#N)C#N
COc1cc(cc(c1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc2ccccc2c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(F)cn1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1F)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(s1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cn1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(F)cc1F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1F
COc1cccc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(Cl)c1
C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(F)c1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(C#N)c(N)n1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(F)c(n1)C#N
COc1ccc(cc1)N1CCN(CC1C)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(OC(F)(F)F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cncc(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccccn1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cncc(C)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncccn1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(c1)C#N
COc1nc(ncc1C#N)N1C[C@H](C)N([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc(cc1F)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@H]1CN(CCN1c1cc(F)c(F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)cc(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1F)C(F)(F)F
Fc1cc(cc(F)c1F)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cc1F)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(C#N)c(N)n1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(O)=O
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)c(Cl)n1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(C#N)c(NCC(F)(F)F)n1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nc(Cl)cc(n1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nc(F)c(F)c(F)n1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(C#N)c(NCC(F)(F)F)n1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nccc(n1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(F)c(Cl)n1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Br)c(Cl)n1
COC(=O)c1cc(Cl)nc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COC(=O)c1cc(C)nc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(C#N)c(n1)N(C)C
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)cn1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(F)cn1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N
CNc1nc(ncc1C#N)N1C[C@H](C)N([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)cn1
CNc1nc(ncc1C#N)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1cnc(nc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
OC[C@@H]1CN(CCN1c1ncc(cn1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
OC[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(c(N)n1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(c(N)n1)C(F)(F)F
Nc1nc(ncc1C(F)(F)F)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Br)cn1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)c(N)n1
Nc1nc(ncc1Cl)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Nc1nc(ncc1F)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc3CCOc23)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2F)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(CC2CCCCC2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccn2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2csnn2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc3OCCOc3c2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(F)c2)CC1)c1cc(F)c(F)c(F)c1
O=C(NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCN(CC1)c1ccc(cn1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2csc(C)n2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2OC(F)F)CC1)c1cc(F)c(F)c(F)c1
CC(N1CCC(CCNC(=O)N2CCN(C[C@H]2C)c2cc(F)c(F)c(F)c2)CC1)c1ccccc1
Fc1ccc(CN2CCC(CCNC(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(cc2)C(N)=O)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(F)c2F)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(c2)C#N)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(CC1)C(c1nnc(C)o1)c1ccccc1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2OC(F)(F)F)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(F)c(F)c2F)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cc(F)cc(F)c2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cc(F)ccc2F)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccs2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(O)cc2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2c(F)cccc2F)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2C#N)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(cc2F)C#N)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccncc2)CC1)c1ncc(cn1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccnc2)CC1)c1ncc(cn1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccn2)CC1)c1ncc(cn1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2C#N)CC1)c1ncc(cn1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2C)CC1)c1ncc(cn1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(F)c2)CC1)c1ncc(cn1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ncc(cn1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2F)CC1)c1ncc(cn1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cncnc2)CC1)c1ncc(cn1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(c2)C#N)CC1)c1ncc(cn1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1ncc(cn1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(O)cc2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(cc2)N(C)C)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CCc2ccccc2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2cccc(F)c2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(O)c(C)c2)CC1)c1cnc(nc1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1cnc(nc1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2cccc(F)c2)CC1)c1cnc(nc1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2F)CC1)c1cnc(nc1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(cc2)N(C)C)CC1)c1cnc(nc1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(O)cc2)CC1)c1cnc(nc1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1)c1cnc(nc1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CCc2ccccc2)CC1)c1cnc(nc1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(O)c(C)c2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ncccn2)CC1)c1ncc(cn1)C#N
COc1cccc(CN2CCC(CCNC(=O)N3[C@@H](C)CN(C[C@H]3C)c3ncc(cn3)C#N)CC2)c1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc3occc3c2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2cccnc2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccncc2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(cc2)B(O)O)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2cccnc2F)CC1)c1ncc(cn1)C#N
COc1ccc(CN2CCC(CCNC(=O)N3[C@@H](C)CN(C[C@H]3C)c3ncc(cn3)C#N)CC2)cc1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc3n(C)nnc3c2)CC1)c1ncc(cn1)C#N
COc1ccccc1CN1CCC(CCNC(=O)N2[C@@H](C)CN(C[C@H]2C)c2ncc(cn2)C#N)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1(CO)CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
C[C@@H]1CN(CCN1C(=O)NCCN1CCN(CC1)c1ccccc1)c1ccc(OC(F)(F)F)c(c1)C#N
C[C@@H]1CN(CCN1C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1)c1cc(F)cc(c1)C#N
C[C@@H]1CN(CCN1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCN1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCN1CCC(O)(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc(c1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C(F)F
C[C@@H]1CN(CCN1C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
C[C@@H]1CN(CCN1C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
C[C@@H]1CN(CCN1C(=O)NCCN(C)[C@@H]1C[C@H](CO)N(Cc2ccccc2)C1)c1cc(F)c(F)c(F)c1
FC(F)(F)c1ccc(cc1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1cccc(c1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1cccc(c1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Clc1ccc(cc1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cccc(c1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccccc1C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Clc1ccc(N2CCN(CC2)C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(c1)C#N
FC(F)(F)Oc1ccc(cc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CN(C1CCN(C1)c1ccc(Br)cn1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)c1csc2ccccc12
Clc1cccc(c1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1ccc(N2CCN(CC2)C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(c1)C#N
Clc1ccc(cc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)c1nc2ccccc2s1
FC(F)(F)c1cnc(N2CCN(CC2)C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(Cl)c1
CN(C1CCN(C1)c1ncc(cc1Cl)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1cc(cc(c1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
OC1(CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(F)(F)F
Fc1ccc(cc1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CN(C1CCN(C1)c1ccc(cc1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1ccc(cc1C#N)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
OC1(CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
COc1ccc(cc1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1cccc(c1)C#N
Fc1cccc(c1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1ccc(cc1)C#N
Oc1cccc(c1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1ncccn1
O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)c1c[nH]c2ccccc12
CC(C)c1noc(n1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1ccccc1C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)(C#N)c1ccccc1
Fc1ccccc1N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1ccc(cc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CCN1CCN(CC1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)c1ccccc1
Fc1ccc(cc1)N1CCC(CC1)NC(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)NC1CCN(CC1)c1cccc(c1)C#N
O=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1
COc1ccccc1C1(O)CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1ccc(N2CCN(CC2)C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(CO)c1
O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)N1Cc2ccccc2NC1=O
O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1ccc(cn1)C#N
O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)n1nnc2ccccc12
Clc1cccnc1N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)N1C2CCC1CN(C2)c1ncc(cn1)C#N |THB:26:24:18:20.21|
FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(N(C1CC1)C1CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
OCCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1
Cc1nc(sc1C(=O)NCCC1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)cc1
C[C@@H]1CN(CCN1C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1cc(F)cc(c1)C#N
Fc1cc(ccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1)-c1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(cc1)-c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
OC(CNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1
OC1(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)c(F)c2)CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(OC(F)(F)F)c(c1)C#N
OCC1(CCNC(=O)C2CCN(CC2)c2cccc(OC(F)(F)F)c2)CCN(Cc2ccccc2)CC1
Fc1cc(ccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)cc1
OCC1(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)cc2)CCN(Cc2ccccc2)CC1
COC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O[C@@H](CNC(=O)C1CCN(CC1)c1ccc(F)c(c1)C#N)C1CCN(Cc2ccccc2)CC1
FC(F)(F)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CN(CCNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1)[C@H]1CCN(Cc2ccccc2)C1
CN([C@@H]1CCN(C1)C1CCCCC1)C(=O)c1ccc(Cl)c(c1)-c1nc2ccccc2cc1C#N
OC1(Cc2ccccc2)CCN(CCNC(=O)c2ccn3cc(nc3c2)-c2ccc(OC(F)(F)F)cc2)CC1
Cc1cc(Cl)c(cn1)-c1cc(ccc1Cl)C(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1
FC(F)(F)c1cnc(N2CCC(CC2)C(=O)N2CCN(CC2)C2CCN(Cc3ccccc3)CC2)c(Cl)c1
CN(CCNC(=O)C1CCN(CC1)c1cccc(OC(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1
CN(C1CCN(C1)C1CCN(Cc2ccccc2)CC1)C(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1
OCC1(CCNC(=O)C2CCN(CC2)c2ccc(F)c(c2)C#N)CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1ccc(cc1)-c1cn2ccc(cc2n1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CN(CCNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCN(Cc2ccccc2)C1
OC1CN(Cc2ccccc2)CCC1CCNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1
Fc1cc(ccc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCN[C@@H]1CCN(Cc2ccccc2)C1
O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1ccc(cc1)C#N
O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccc(cc1)C#N
CN(CCNC(=O)C1CCN(CC1)c1cccc(OC(F)(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1
Cc1nc(sc1C(=O)NCCC1CCN(Cc2ccccc2)CC1)-c1ccc(cc1)C(F)(F)F
CN([C@@H]1CCN(Cc2ccccc2)C1)C1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1
CN(CCC1CCN(CC1)c1ccccc1)C(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1
CN(CCNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)c(F)c1)C1CN(CC1CO)c1ccccc1
FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)NC(=O)CCC1CCN(Cc2ccccc2)CC1
Brc1cnc(nc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CN(CCNC(=O)c1ccc(cc1)-c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1
CN(CCNC(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1)[C@@H]1CCN(Cc2ccccc2)C1
Cc1ccc(cc1)-c1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(F)c1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CN(CCC1CC[N+](C)(Cc2ccccc2)CC1)C(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1 |(-.03,-7.62,;-1.02,-8.8,;-.49,-10.25,;1.02,-10.51,;1.55,-11.96,;.56,-13.14,;1.09,-14.59,;2.6,-14.85,;2.08,-16.3,;3.94,-15.62,;3.94,-17.16,;5.27,-17.93,;5.27,-19.47,;3.94,-20.24,;2.6,-19.47,;2.6,-17.93,;3.59,-13.67,;3.07,-12.23,;-2.54,-8.53,;-3.53,-9.71,;-3.06,-7.08,;-4.58,-6.82,;-5.11,-5.37,;-4.12,-4.19,;-2.6,-4.46,;-2.07,-5.9,;-4.64,-2.74,;-6.16,-2.47,;-6.69,-1.03,;-5.7,.15,;-6.22,1.6,;-7.74,1.87,;-9.26,2.13,;-7.47,3.38,;-8.01,.35,;-4.18,-.12,;-3.65,-1.56,)|
O=C(Cc1ccc(OCc2ccccc2)cc1)NCCC1CCN(Cc2ccccc2)CC1
OC1(CCNC(=O)C2CCN(CC2)c2ccc(F)c(c2)C#N)CCN(Cc2ccccc2)CC1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
OC1(CCNC(=O)C2CCN(CC2)c2cccc(OC(F)(F)F)c2)CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1ccc(cn1)C#N
FC(F)(F)Oc1ccc(cc1)-c1cn2ccc(cc2n1)C(=O)N(C1CC1)C1CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1
FC(F)(F)Oc1cccc(c1)N1CCC(CC1)NC(=O)CCC1CCN(Cc2ccccc2)CC1
COc1ccc(cc1)-c1cc2ncc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(C)n2n1
Cc1ccnc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(N(C1CC1)C1CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1cccs1
FC(F)(F)Oc1cccc(c1)N1CCC(CC1)C(=O)NCCN[C@@H]1CCN(Cc2ccccc2)C1
O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1cccs1
FC(F)(F)Sc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1nc(sc1C(=O)NCCC1CCN(Cc2ccccc2)CC1)-c1ccc(F)nc1
FC(F)(F)c1cnc(N2CCC(CC2)C(=O)N(CCC2CCN(Cc3ccccc3)CC2)C2CC2)c(Cl)c1
COc1ccc(cc1)-c1cc(n2nc(cc2n1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C(F)(F)F
Clc1ccc(cc1-c1nc2ccccc2cc1C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1[nH]c(nc1C(=O)NCCC1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)cc1Cl
OCC1CN(Cc2ccccc2)CCC1CCNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1
FC(F)(F)c1cnc(N2CCC(CC2)C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(Cl)c1
OCC1(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)c(F)c2)CCN(Cc2ccccc2)CC1
FC(F)(F)c1cnc(N2CCC(CC2)C(=O)NCC2CCN(Cc3ccccc3)CC2)c(Cl)c1
FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1
Cc1cc(Cl)c(cn1)-c1cc(ccc1Cl)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1ccc(cc1)-c1cn2ccc(cc2n1)C(=O)NCCN1CCC(Cc2ccccc2)CC1
Oc1ccc(cc1)-c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1ccc(cc1C#N)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1nc(cn1-c1ccc(cn1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cn(cn1)-c1ccc(cn1)C#N
FC(F)(F)Oc1ccc(nc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc(cc1C#N)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1ccccc1
CC1(CCN(CC1)c1ccccc1OC(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC1(F)Oc2ccc(cc2O1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CC1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1
Fc1cc(cc(F)c1F)N1CCC(CC1)C(=O)NCCC1CCN(CC1)c1ccccc1
Fc1cc(ccc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc(ccc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1ccc(cc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1F
FC(F)(F)Oc1cc(ccc1C#N)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1cc(cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1cncc(c1)C#N
CC1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1OC(F)(F)F
FC(F)(F)Oc1ccccc1N1CCC(F)(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CC1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(OC(F)(F)F)c1
FC(F)(F)Oc1cccc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
OC1(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)c(c2)C#N)CCN(Cc2ccccc2)CC1
Fc1ccc(cc1F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1cc(F)cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1cc(cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
FC(F)(F)c1ccc(nc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CC1(CCN(CC1)c1cccc(OC(F)(F)F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1cccc(c1)N1CCC(CNC(=O)CC2CCN(Cc3ccccc3)CC2)CC1
Clc1ccc(cn1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc(nc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc(OC(F)(F)F)cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1ccnc(n1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CC1(CCN(CC1)c1ccc(OC(F)(F)F)cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1ccnc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc(cc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1ccc(cn1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
OC1(CCN(CC1)c1ccc(OC(F)(F)F)c(c1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1cc(OC(F)(F)F)ccc1N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COC1(CCN(CC1)c1ccc(OC(F)(F)F)cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc(cc1F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
OC1(CCN(CC1)c1cc(F)c(F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
OC1(CCN(CC1)c1ccc(OC(F)(F)F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1cc(cc(F)c1F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC1(F)Oc2cccc(N3CCC(CC3)C(=O)NCCC3CCN(Cc4ccccc4)CC3)c2O1
OC1(CCN(CC1)c1cc(OC(F)(F)F)cc(c1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COC1(CCN(CC1)c1cc(ccn1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COC1(CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1cccc(c1)N1CC[C@H](C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1cc(ccc1N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
OC1(CCN(CC1)c1ccc(F)c(c1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1cccc(c1)N1CC[C@@H](C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cccc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc(cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
FC(F)(F)Oc1ccc(cc1)N1CCC(F)(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1cc(ccc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1ccc(cc1C#N)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O[C@H](CNC(=O)C1CCN(CC1)c1ccc(F)c(c1)C#N)C1CCN(Cc2ccccc2)CC1
Fc1ccccc1N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
OC1(CCN(CC1)c1ccc(OC(F)(F)F)cn1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
OC1(CCN(CC1)c1cccc(OC(F)(F)F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COC1(CCN(CC1)c1ccc(OC(F)(F)F)cn1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
OC1(CCN(CC1)c1cc(F)ccc1F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CS(=O)(=O)c1cccc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1cc(ccn1)C#N
O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1ccccc1C#N
FC(F)(F)c1ccc(cn1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1ccc(N2CCC(CC2)C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(c1)C#N
FC(F)(F)Oc1ccccc1N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1ccc(cc1)N1CC[C@@H](C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1ccc(cc1)N1CC[C@H](C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Fc1ccc(nc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1cc(C)nc(n1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COC1(CCN(CC1)c1ccccc1OC(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1cccc(c1)C#N
Fc1cc(ccc1C#N)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C#N
C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C(F)(F)F
C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cc1F)C(F)(F)F
Oc1ccc(CN2CCC(CCNC(=O)C3CCN(CC3)c3ccc(OC(F)(F)F)cc3)CC2)cc1
Fc1ncccc1CN1CCC(CCNC(=O)c2ccc(Oc3ccccc3)cc2)CC1
Oc1ccccc1CN1CCC(CCNC(=O)c2ccc(OCc3ccccc3)cc2)CC1
Cc1nc(CN2CCC(CCNC(=O)C3CCN(CC3)c3ccc(OC(F)(F)F)cc3)CC2)cs1
Oc1ccccc1CN1CCC(CCNC(=O)c2ccc(Oc3ccccc3)cc2)CC1
COC(=O)C(N1CCC(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1
O=C(NCCC1CCN(Cc2cccc3OCCOc23)CC1)c1ccc(OCc2ccccc2)cc1
O=C(NCCC1CCN(CC2CCCCC2)CC1)C1CCN(CC1)c1ccc(cn1)C#N
COc1cccc(CN2CCC(CCNC(=O)c3ccc(OCc4ccccc4)cc3)CC2)c1O
Oc1ccc(CN2CCC(CCNC(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1
FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2csnn2)CC1
OCC(N1CCC(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1
Oc1cccc(CN2CCC(CCNC(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1
CC(N1CCC(CCNC(=O)c2ccc(OCc3ccccc3)cc2)CC1)c1ccccc1
Cn1cccc1CN1CCC(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)cc2)CC1
O=C(NCCC1CCN(Cc2cccc3OCCOc23)CC1)C1CCN(CC1)c1ccc(cn1)C#N
Oc1ccc(CN2CCC(CCNC(=O)C3CCN(CC3)c3ccc(cn3)C#N)CC2)cc1
O=C(NCCC1CCN(Cc2cccc3OCCOc23)CC1)c1ccc(Oc2ccccc2)cc1
CC(C)CCN1CCC(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)cc2)CC1
O=C(NCCC1CCN(Cc2cccnc2)CC1)c1ccc(OCc2ccccc2)cc1
FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(CC2CCCCC2)CC1
FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1
OC(CNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1)C1CCN(CC2CCCCC2)CC1
Fc1cccc(CN2CCC(CCNC(=O)c3ccc(OCc4ccccc4)cc3)CC2)c1
Oc1ccccc1CN1CCC(CCNC(=O)C2CCN(CC2)c2ccc(cn2)C#N)CC1
CC(C)(C)CN1CCC(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)cc2)CC1
O=C(NCCC1CCN(CCCc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1
FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2cccc3CCOc23)CC1
COc1cccc(CN2CCC(CCNC(=O)C3CCN(CC3)c3ccc(OC(F)(F)F)cc3)CC2)n1
FC(F)(F)Oc1ccc(cc1)N1CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1
O=C(OCCC1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1cccc(c1)C#N
Fc1ccc(cc1)N1CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1cccc(c1)N1CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1
O=C(NC1CCN(CC1)c1cccc(c1)C#N)OCCC1CCN(Cc2ccccc2)CC1
Fc1ccc(cc1)N1CCC(CC1)NC(=O)OCCC1CCN(Cc2ccccc2)CC1
OC1(CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
O=C(OCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)c1ccccc1
Fc1cc(cc(c1)N1CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1)C#N
Fc1ccc(cc1C#N)N1CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)NC(=O)OCCC1CCN(Cc2ccccc2)CC1
Fc1cc(cc(F)c1F)N1CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1ccccc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1ccc(Cl)cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cccs1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1ccc(cc1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1ccc(F)cc1F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1ccccn1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1ccc(cc1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1ccc(F)cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cc(F)cc(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cccc(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cccc(F)c1F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cccc(c1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccccc1-c1cc2ncc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(C)n2n1
Cc1c(cnc2cc(nn12)-c1cc(F)ccc1F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1ccccc1C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1ccc(C#N)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ncccc1-c1cc2ncc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(C)n2n1
Cc1c(cnc2cc(nn12)-c1ccc(F)nc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cccc(OC(F)(F)F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cc(F)c(F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cccnc1F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc(C)c(cn1)-c1cc2ncc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(C)n2n1
Cc1c(cnc2cc(nn12)-c1ccnc(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1CCN(Cc2cccnc2)CC1
Cc1c(cnc2cc(nn12)-c1ccccc1)C(=O)NCCC1CCN(Cc2cccc3OCCOc23)CC1
Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1CCN(CC2CCCCC2)CC1
Cc1c(cnc2cc(nn12)-c1ccccc1)C(=O)NCCC1CCN(Cc2ccccc2O)CC1
Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccncc2)CC1
Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccn2)CC1
COc1cccc(CN2CCC(CCNC(=O)c3cnc4cc(nn4c3C)-c3ccccc3)CC2)c1
Cc1c(cnc2cc(nn12)-c1ccccc1)C(=O)NCCC1CCN(Cc2ccc(O)cc2)CC1
C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F
C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)cn1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC2CCCCC2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccn2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC1)C1Cc2ccccc2C1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC2CCC2)CC1)c1ncc(cn1)C#N
CC(C)CN1CCC(CCNC(=O)N2[C@@H](C)CN(C[C@H]2C)c2ncc(cn2)C#N)CC1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC[Si](C)(C)C)CC1)c1ncc(cn1)C#N
CC(C)CCN1CCC(CCNC(=O)N2[C@@H](C)CN(C[C@H]2C)c2ncc(cn2)C#N)CC1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC2CCCCO2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC2(C)COC2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC2CCCS(=O)(=O)C2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC23CC(C2)C3)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC23C4C5C6C4C2C6C35)CC1)c1ncc(cn1)C#N |wD:1.0,5.5,(2,11.98,;1.15,13.26,;1.85,14.64,;1,15.93,;-.53,15.84,;-1.23,14.47,;-2.76,14.38,;-.38,13.18,;-1.08,11.8,;-2.62,11.72,;-.24,10.52,;-.93,9.14,;-.09,7.85,;-.78,6.48,;-2.32,6.39,;-3.01,5.02,;-2.17,3.73,;-2.86,2.35,;-2.02,1.06,;-.87,1.53,;.25,-.02,;-.86,-1.1,;-1.96,.46,;-3.12,-.01,;-2.01,-1.56,;-.9,-.48,;-.63,3.81,;.06,5.19,;1.7,17.3,;.86,18.59,;1.55,19.97,;3.09,20.05,;3.93,18.76,;3.24,17.39,;3.78,21.43,;4.48,22.8,)|
C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F
C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(c(N)n1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1F)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(F)cc1F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)cc1F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(Cl)c1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(Cl)c(F)c1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(C#N)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(cc1F)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)nc1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(C#N)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(Cl)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1
COc1cc(ccn1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(OC(F)(F)F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccnc(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cncnc1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(cn1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(cn1)C(F)(F)F
COc1ccc(cc1C#N)N1C[C@H](C)N([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1cnc(cn1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(c1)N(C)C
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(cn1)C#N
COc1cc(ccc1C#N)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccnc(c1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)nc(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(c1)C(F)(F)F
COc1cc(cc(F)c1C#N)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(cn1)C#N
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(nn1)C#N
C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(c(N)n1)C(F)(F)F
C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N
C[C@H]1CN(C[C@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N
C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(cn1)C(F)(F)F
C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F
C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C(F)(F)F
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(=O)NC1CC1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC1)c1ccccc1)c1ncc(cn1)C(=O)N1CCCC1
CC(C)N(C)C(=O)c1cnc(nc1)N1C[C@H](C)N([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(=O)NCC=C
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC1)c1ccccc1)c1ncc(cn1)C(=O)NCC1CC1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(=O)NC1CCC1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC1)c1ccccc1)c1ncc(cn1)C(=O)NCCF
CCC(C)NC(=O)c1cnc(nc1)N1C[C@H](C)N([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CCN(C)C(=O)c1cnc(nc1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CNC(=O)c1cnc(nc1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CC(C)CNC(=O)c1cc(C)nc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CC(C)CNC(=O)c1cnc(nc1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CC(C)NC(=O)c1cc(C)nc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nc(C)cc(n1)C(=O)NC1CC1
CC(C)NC(=O)c1cnc(nc1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CCNC(=O)c1cnc(nc1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(=O)N(C)C
CCN(C)C(=O)c1cc(C)nc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CCNC(=O)c1cc(C)nc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1nn(C)cc1-c1ccc(NC2CC3(C2)CCN(CCC(C)(C)C)CC3)nn1
Cc1cnn(C)c1-c1ccc(NC2CC3(C2)CCN(CCC(C)(C)C)CC3)nn1
Cc1nn(C)cc1-c1ccc(NC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:28|
CC(CN1CCC2(CC(C2)Nc2ccc(nn2)-c2cn(C)nc2C)CC1)C(C)(C)C
Cc1nn(C)cc1-c1ccc(NC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
Cc1nn(C)cc1-c1ccc(NC2CC3(C2)CCN(CC2CCSCC2)CC3)nn1
Cc1nn(C)cc1-c1ccc(NC2CC3(C2)CCN(Cc2ncccc2C)CC3)nn1
Cc1cnn(C)c1-c1ccc(NC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:28|
CC(CN1CCC2(CC(C2)Nc2ccc(nn2)-c2c(C)cnn2C)CC1)C(C)(C)C
Cc1cnn(C)c1-c1ccc(NC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
Cc1cnn(C)c1-c1ccc(NC2CC3(C2)CCN(CC2CCSCC2)CC3)nn1
Cc1cnn(C)c1-c1ccc(NC2CC3(C2)CCN(Cc2ncccc2C)CC3)nn1
Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(CCC(C)(C)C)CC3)nn1
Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(CCC(C)(C)C)CC3)nn1
CC(C)(C)CCN1CCC2(CC(C2)Oc2ccc(nn2)-c2cc(F)ccc2Cl)CC1
Fc1ccc(Cl)c(c1)-c1ccc(OC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:29|
CC(CN1CCC2(CC(C2)Oc2ccc(nn2)-c2cc(F)ccc2Cl)CC1)C(C)(C)C
Fc1ccc(Cl)c(c1)-c1ccc(OC2CC3(C2)CCN(CC2CCCCC2)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(OC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(OC2CC3(C2)CCN(CC2CCCOC2)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(OC2CC3(C2)CCN(CC2CCSCC2)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(OC2CC3(C2)CCN(Cc2ccccc2)CC3)nn1
Cc1cccnc1CN1CCC2(CC(C2)Oc2ccc(nn2)-c2cc(F)ccc2Cl)CC1
Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:28|
CC(CN1CCC2(CC(C2)Oc2ccc(nn2)-c2cn(C)nc2C)CC1)C(C)(C)C
Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(CC2CCCCC2)CC3)nn1
Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(CC2CCCOC2)CC3)nn1
Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(CC2CCSCC2)CC3)nn1
Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(Cc2ccccc2)CC3)nn1
Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(Cc2ncccc2C)CC3)nn1
Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:28|
CC(CN1CCC2(CC(C2)Oc2ccc(nn2)-c2c(C)cnn2C)CC1)C(C)(C)C
Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(CC2CCCCC2)CC3)nn1
Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(CC2CCSCC2)CC3)nn1
Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(Cc2ccccc2)CC3)nn1
Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(Cc2ncccc2C)CC3)nn1
Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(CCC(C)(C)C)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:30|
CC(C)(C)CCN1CCC2(CC(CNc3ccc(nn3)-c3cc(F)ccc3Cl)C2)CC1
Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(CC2CCCCC2)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(CC2CCCOC2)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(Cc2ccccc2)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(Cc2ccccc2F)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(Cc2ccccn2)CC3)nn1
COc1cccc(CN2CCC3(CC(CNc4ccc(nn4)-c4cc(F)ccc4Cl)C3)CC2)n1
Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(Cc2ccc4OCOc4c2)CC3)nn1
Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(CC2CCCCC2)CC3)nn1
Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(CC2CCCOC2)CC3)nn1
Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(Cc2ccccc2)CC3)nn1
Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(Cc2ccccc2F)CC3)nn1
Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(Cc2ccccn2)CC3)nn1
Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(Cc2ncccc2C)CC3)nn1
CC1CC2CC3CC(CN4CCC5(CC(CNc6ccc(nn6)-c6cn(C)nc6C)C5)CC4)(C1)C23
Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(Cc2ccc(F)cc2)CC3)nn1
Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:29|
CC(C)(C)CCN1CCC2(CC(COc3ccc(nn3)-c3cc(F)ccc3Cl)C2)CC1
Fc1ccc(Cl)c(c1)-c1ccc(OCC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:30|
Fc1ccc(Cl)c(c1)-c1ccc(OCC2CC3(C2)CCN(CC2CCCCC2)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(OCC2CC3(C2)CCN(CC2CCCOC2)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(OCC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(OCC2CC3(C2)CCN(Cc2ccccc2)CC3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(OCC2CC3(C2)CCN(Cc2ccccn2)CC3)nn1
COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
COc1cc(ccc1F)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|
Cc1c(F)cccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
FC1(F)C[C@@H]1c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |r,THB:16:18:21.22:25|
COc1cc(CC(C)N)c(OC)cc1Br
CNC(C)Cc1ccc2c(c1)OCO2
COc1cc(cc(c1OC)OC)CCN
COc1cc(CCN)c(OC)cc1Br
CN(C)CCc1c[nH]c2c1cccc2
CN(C)CCc1c[nH]c2c1c(ccc2)O
CN(C)CCc1c[nH]c2c1cc(cc2)OC
CCc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CC(C)N)cc1OC
CCOc1cc(OC)c(CC(C)N)cc1OC
COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1
CC(C)N(CCc1c[nH]c2ccccc12)C(C)C
COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1
CCCN(CCC)CCc1c[nH]c2ccccc12
CCSc1cc(OC)c(CC(N)CC)cc1OC
CN(C)CCc1c[nH]c2cc(F)ccc12
CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
NCCc1c2CCOc2c(Br)c2CCOc12
COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
CCS(=O)(=O)c1cnc(N2C[C@@H](C)N(C(=O)NC3CC4(C3)CN(Cc3ccccc3)C4)[C@@H](C)C2)nc1
C[C@@H]1CN(c2ncc(S(=O)(=O)C3CC3)cn2)C[C@H](C)N1C(=O)NC1CC2(C1)CN(Cc1ccccc1)C2
C[C@@H]1CN(c2ncc(S(C)(=O)=O)cn2)[C@@H](C)CN1C(=O)NC1CC2(C1)CN(Cc1ccccc1)C2
CCS(=O)(=O)c1cnc(N2C[C@@H](C)N(C(=O)NC3CC4(C3)CN(Cc3ccccc3)C4)C[C@@H]2C)nc1
C[C@@H]1CN(c2ncc(S(=O)(=O)C3CC3)cn2)[C@@H](C)CN1C(=O)NC1CC2(C1)CN(Cc1ccccc1)C2
CCS(=O)(=O)c1cnc(N2CCN(C(=O)NC3CC4(C3)CN(Cc3ccccc3)C4)[C@H](C)C2)nc1
C[C@@H]1CN(c2ncc(S(=O)(=O)C3CC3)cn2)CCN1C(=O)NC1CC2(C1)CN(Cc1ccccc1)C2
C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2)C[C@H](C)N1C(=O)NC1CC2(C1)CN(Cc1ccccc1)C2
CCS(=O)(=O)c1cnc(N2C[C@@H](C)N(C(=O)OC3CC4(C3)CN(Cc3ccccc3)C4)C[C@@H]2C)nc1
C[C@@H]1CN(c2ncc(S(C)(=O)=O)cn2)[C@@H](C)CN1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
C[C@@H]1CN(c2ncc(S(C)(=O)=O)cn2)CCN1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
CCS(=O)(=O)c1cnc(N2C[C@@H](C)N(C(=O)OC3CC4(C3)CN(Cc3ccccc3)C4)[C@H](C)C2)nc1
C[C@@H]1CN(c2ncc(S(=O)(=O)C3CC3)cn2)C[C@@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
C[C@@H]1CN(c2ncc(S(=O)(=O)C3CC3)cn2)[C@@H](C)CN1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
CCS(=O)(=O)c1cnc(N2CCN(C(=O)OC3CC4(C3)CN(Cc3ccccc3)C4)[C@H](C)C2)nc1
C[C@@H]1CN(c2ncc(S(=O)(=O)C3CC3)cn2)CCN1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
C[C@@H]1CN(c2ncc(S(C)=O)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
C[C@@H]1CN(c2ncc(S(=O)(=O)C(F)F)cn2)[C@@H](C)CN1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
Cc1nc(N2C[C@@H](C)N(C(=O)OC3CC4(C3)CN(Cc3ccccc3)C4)C[C@@H]2C)ncc1S(C)(=O)=O
CC(C)S(=O)(=O)c1cnc(N2C[C@@H](C)N(C(=O)OC3CC4(C3)CN(Cc3ccccc3)C4)C[C@@H]2C)nc1
C[C@@H]1CN(c2ncc(N3CCC3=O)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
C[C@@H]1CN(c2ncc(N3CCCC3=O)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
CCS(=O)(=O)c1cnc(N2C[C@@H](C)N(C(=O)OC3CC4(C3)CN(Cc3ccccc3)C4)[C@@H](C)C2)nc1
C[C@@H]1CN(c2ncc(S(C)(=O)=O)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
C[C@@H]1CN(c2ncc(S(C)(=O)=O)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccc(Cl)cc1)C2
C[C@@H]1CN(c2ncc(S(C)(=O)=O)cn2)[C@@H](C)CN1C(=O)OC1CC2(C1)CN(Cc1ccc(Cl)cc1)C2
C[C@@H]1CN(c2ncc(S(C)(=O)=O)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccc(F)cc1)C2
C[C@@H]1CN(c2ncc3c(n2)CCS3(=O)=O)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
Cc1nc(N2C[C@@H](C)N(C(=O)OC3CC4(C3)CN(Cc3ccccc3)C4)[C@@H](C)C2)ncc1S(C)(=O)=O
C[C@@H]1CN(c2ncc(S(=O)(=O)C(F)F)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
CC(C)S(=O)(=O)c1cnc(N2C[C@@H](C)N(C(=O)OC3CC4(C3)CN(Cc3ccccc3)C4)[C@@H](C)C2)nc1
C[C@@H]1CN(c2ncc3c(n2)CS(=O)(=O)C3)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
COc1cnc(N2C[C@@H](C)N(C(=O)OC3CC4(C3)CN(Cc3ccccc3)C4)[C@@H](C)C2)nc1
C[C@@H]1CN(c2ncc(OC3CC3)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
C[C@@H]1CN(c2ncc(O)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
C[C@@H]1CN(c2ncc(OCCO)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
C[C@@H]1CN(c2ncc(OCC(O)CF)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
C[C@@H]1CN(c2ncc(OCC(O)C(F)F)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
C[C@H](O)COc1cnc(N2C[C@@H](C)N(C(=O)OC3CC4(C3)CN(Cc3ccccc3)C4)[C@@H](C)C2)nc1
C[C@@H]1CN(c2ncc(OC[C@@H](C)O)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
CC[C@H](O)COc1cnc(N2C[C@@H](C)N(C(=O)OC3CC4(C3)CN(Cc3ccccc3)C4)[C@@H](C)C2)nc1
CC[C@@H](O)COc1cnc(N2C[C@@H](C)N(C(=O)OC3CC4(C3)CN(Cc3ccccc3)C4)[C@@H](C)C2)nc1
C[C@@H]1CN(c2ncc(OCC(C)(C)O)cn2)C[C@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2
COc1ccc(CN2CC3(CC(OC(=O)N4[C@H](C)CN(c5ncc(S(C)(=O)=O)cn5)C[C@@H]4C)C3)C2)cc1
Cc1ccc(CN2CC3(CC(OC(=O)N4[C@H](C)CN(c5ncc(S(C)(=O)=O)cn5)C[C@@H]4C)C3)C2)cc1
COc1ccccc1CN1CC2(CC(OC(=O)N3[C@H](C)CN(c4ncc(S(C)(=O)=O)cn4)C[C@@H]3C)C2)C1
Fc1ccc(cc1)[Si]1(CCC(C1)N1CCN(CC1)c1ccccc1)c1ccc(F)cc1
CN(CCCCCCCCN(C)CCCCCCN1CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1)CCCCCCN1CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1
CCN(CC)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
CCN(CC)CCCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
CCN(CC)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
CN(C)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1 |r|
COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1 |r|
COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r|
COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1 |r|
COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1 |r|
COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1 |r|
COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r|
COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1 |r|
O=C(CN1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc12
NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
CS(=O)(=O)N1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
CC(=O)N1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
CC(C)(C)OC(=O)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
ClCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
CC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
NCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)cc1
O=C(CN1CCN(CC1)C(=S)Nc1ccccc1)N1c2ccccc2C(=O)Nc2cccnc12
O=C(CN1CCN(CC1)C(=O)c1ccccc1)N1c2ccccc2C(=O)Nc2cccnc12
CNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)cc1
O=C(CN1CCN(Cc2ccccc2)CC1)N1c2ccccc2C(=O)Nc2cccnc12
O[C@@](C\C=C\I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:9.8,1.18,wD:1.0,(7.75,-5.56,;6.42,-6.35,;6.42,-4.81,;7.75,-4.04,;7.75,-2.5,;9.1,-1.73,;5.07,-7.12,;5.07,-8.66,;3.74,-6.33,;2.41,-7.1,;2.41,-8.64,;1.08,-9.41,;.45,-8.43,;.45,-7.29,;1.08,-6.33,;-.25,-7.1,;-.25,-8.64,;7.75,-7.12,;7.73,-8.66,;9.06,-9.43,;10.41,-8.66,;10.41,-7.12,;9.08,-6.35,)|
CC(C[N+](C)(C)C)OC(C)=O
CC(=O)OC1CC2CCCC1N2 |TLB:3:4:11:9.8.7|
C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
COC(=O)C1=CCCN(C)C1 |t:4|
C#CCOc1noc2CCCNCc12
COc1noc2CCCNCc12
O=C1CCCN1CC#CCN1CCCC1
CCOc1noc2CCCNCc12
CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc12
CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc12
CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12
CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12
CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCN
CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCN
CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12
[O-][N+](=O)c1ccc(cc1)C(=O)OC1CC2CCCC1N2 |THB:11:12:19:17.16.15|
CCC(=O)OC1CC2CCCC1N2C |THB:4:5:12:10.8.9|
O=C(OC1CC2CCCC1N2)c1ccccc1 |THB:2:3:10:8.7.6|
CN1C2CC(OC(=O)C3CCCCC3)C1CCC2 |TLB:5:4:1:15.17.16|
CN1C2CC(OC(=O)OCC(Cl)(Cl)Cl)C1CCC2 |TLB:5:4:1:15.17.16|
O=C(OC1CC2CCCC1N2)C1CCCCC1 |THB:2:3:10:8.7.6|
CN1C2CC(OC(=O)c3ccccc3)C1CCC2 |TLB:5:4:1:15.17.16|
CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
CCC(=O)OC1CC2CCCC1N2 |THB:4:5:12:10.9.8|
[I-].CC1COCC(C[N+](C)(C)C)O1
[I-].C[C@@H]1COC[C@H](C[N+](C)(C)C)O1
C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
[I-].C[C@H]1COC[C@H](C[N+](C)(C)C)O1
Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O
Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r|
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
CCOC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
CO\N=C(/C#N)[C@@H]1C[N@@]2CC[C@H]1C2
CO\N=C(/C#N)C12CCN(C1)CCC2
CO\N=C(/C#N)[C@H]1C[N@@]2CC[C@H]1C2
C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1
CO\N=C(/C#N)C12CCN(CC1)C2
CO\N=C\[C@H]1C[N@@]2CC[C@H]1C2
CN1CCC2=C(C1)c1nsnc1SC2 |c:4|
CSc1nsnc1C1=CCCN(C)C1 |t:8|
CSc1nsnc1C1=C(C)CCN(C)C1 |c:8|
C1Cc2ccc3nsnc3c2CN1
Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1
COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)C1CCN(CC1)C1CCCCC1
Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccccc1CN1CCC(CC1)C1CCN(CC1)C(=O)CCCCCCC(=O)N1CCC(CC1)C1CCN(Cc2ccccc2OC)CC1
COc1ccccc1CN1CCC(CC1)C1CCN(CCCCCCCCN2CCC(CC2)C2CCN(Cc3ccccc3OC)CC2)CC1
CN1CCC=C(C1)c1nsnc1OCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:24|
CN1CCC=C(C1)c1nsnc1OCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:31|
CN1CCC=C(C1)c1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:33|
CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:33|
CN1CCC=C(C1)c1nsnc1OCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:30|
CN1CCC=C(C1)c1nsnc1OCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:28|
CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:32|
CN1CCC=C(C1)c1nsnc1OCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:29|
CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:32|
CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:34|
CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:34|
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13|
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
CN1CCN=C1Cc1cccnc1 |c:4|
CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
CCOC(=O)C1CN2CCCC(C2)C1=O |TLB:3:5:12:8.10.9,THB:14:13:12:8.10.9|
CCOC(=O)C1CN2CC(CCC2CN(C)C)C1=O |TLB:18:17:8:12.10.11,THB:3:5:8:12.10.11,13:12:5.17.6:8|
CCOC(=O)C1CN2CC(CCC2COCc2ccccc2)C1=O |TLB:23:22:8:12.10.11,13:12:5.22.6:8,THB:3:5:8:12.10.11|
CN1CCC=C(C1)c1nsnc1OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O
CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
[H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9|
CN1CCC=C(C1)c1nsnc1OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc34)CC2)CC1
OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1
[I-].C[C@H]1OCCO[C@@H]1C[N+](C)(C)C |r|
[I-].C[N+](C)(C)C[C@@H]1COCCO1 |r|
C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
C[C@H]1OC[C@@H](C[N+](C)(C)C)O1
CC1OC2(CS1)CN1CCC2CC1 |(11.51,-9.9,;10.03,-10.68,;8.8,-9.77,;7.54,-10.66,;8.03,-12.15,;9.52,-12.15,;7.54,-9.08,;6.2,-8.31,;5.66,-9.6,;6.74,-10.26,;6.2,-11.43,;4.88,-10.66,;4.88,-9.13,)|
[I-].C[C@@]1(C[N+](C)(C)C)COCCO1 |r|
[I-].C[C@@H]1OCCO[C@@H]1C[N+](C)(C)C |r|
CC[C@@H](C)[C@@H](O)C(=O)OC[C@H]1CCN2CCC[C@@H]12 |r|
CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(n1)-c1ccccc1O)C(C)C(=O)NC1CCCCN(O)C1=O
COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
CCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)Nc3c4cc(ccc4ncn3)C(F)(F)F)N(C)C(C)C
COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC1)C1CCCC1
CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCNC1
CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CCCC2)CC1
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CCC2)CC1
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CC2)CC1
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
COc1cccc(CC2NCCc3c2[nH]c2ccccc32)c1
CSc1ccccc1CC1NCCc2c1[nH]c1ccccc21 |w:9.9|
CCCCSC1CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1 |w:5.4|
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CC3SCCSC3c2c1 |w:21.22,26.27|
COc1ccc2[nH]c3C(Cc4ccc5OCOc5c4)NCCc3c2c1 |w:8.8|
OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:1.0|
CN(Cc1ccccc1)\C=N\c1ccc2CCC(O)c2c1 |w:17.18|
COc1cccc(c1)C1=NCCc2c1[nH]c1ccccc21 |t:9|
CC(=O)OC1CCCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3|
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(OC(C)=O)c2c1 |w:22.24|
COc1ccc2CC3c4cc5OCOc5cc4CC[N+]3(C)Cc2c1OC
Oc1cccc(c1)C1NCCc2c1[nH]c1ccccc21 |w:7.7|
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(O)c2c1 |w:24.26|
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC3SCCSC3c2c1 |w:22.23,27.28|
COc1ccc2[nH]c3c(CCN=C3c3cc(cn3C)[N+]([O-])=O)c2c1 |c:11|
CN(Cc1ccccc1)\C=N\c1ccc2CCC(OC(C)=O)c2c1 |w:17.18|
COc1cccc(CC2NCCc3c2[nH]c2ccc(OC)cc32)c1 |w:8.7|
CCCSc1ccccc1CC1NCCc2c1[nH]c1ccccc21 |w:11.11|
C1Cc2c([nH]c3ccccc23)C(N1)c1ccccc1
CCCOC1CCCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1 |w:4.3|
COc1cccc(c1)C1=NCCc2c1[nH]c1ccc(OC)cc21 |t:9|
Oc1c(F)cccc1CC1NCCc2c1[nH]c1ccccc21 |w:9.9|
C(C1NCCc2c1[nH]c1ccccc21)c1ccc2OCOc2c1
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(OC(C)=O)c2c1 |w:24.26|
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(O)c2c1 |w:22.24|
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCN(C(=O)OC(C)(C)C)c2c1
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCC(OC(C)=O)c2c1 |w:23.25|
COc1cccc(c1)C1NCCc2c1[nH]c1ccccc21 |w:8.8|
COC(=O)N1CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1
CSc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1 |w:7.6|
CC(=O)OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3|
CCCCSC1=CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1 |t:5|
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
C\C(Nc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
C\C(NCc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
C\C(NCc1cccc(F)c1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
C\C(NCc1ccccc1F)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
COc1ccc(CCN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)cc1 |r|
CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(F)cc3)c2c1 |r|
CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Cl)cc3)c2c1 |r|
CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(C)cc3)c2c1 |r|
CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)C(F)(F)F)c2c1 |r|
CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)-c3ccccc3)c2c1 |r|
CN1CCCC\C1=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
C#CCO[C@H]1CN2CCC1CC2 |wU:4.3,(10.21,-8.05,;8.84,-8.8,;7.52,-9.57,;6.13,-8.8,;4.75,-9.57,;4.75,-11.19,;3.37,-11.99,;2.03,-11.19,;2.03,-9.66,;3.37,-8.88,;3.81,-10.1,;3,-10.66,)|
C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
O[C@@H](CNCCc1ccc(CCN2CCC(Cn3cnc(n3)[C@@](O)(C3CCCCC3)c3ccccc3)CC2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c2c1
Fc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c(=O)[nH]c2c1
Fc1cccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c(=O)[nH]c12
Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O
Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O
Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2cccc(F)c2[nH]c1=O
Clc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C#N)CC3)c(=O)[nH]c2c1
O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCN(Cc2ccccc2C#N)CC1
[O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
[O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Clc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4Cl)CC3)c(=O)[nH]c2c1
Clc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
FC(F)(F)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
FC(F)(F)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Clc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1
Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
CCOC(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12
Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1
Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12
Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1
FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1
[H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r|
C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F |r,wD:6.5,1.0,(32.55,-17.37,;32.55,-18.91,;33.89,-19.68,;35.22,-18.9,;35.21,-17.36,;36.56,-19.67,;37.89,-18.89,;37.87,-17.35,;39.21,-16.58,;40.54,-17.35,;40.54,-18.89,;39.22,-19.66,;38.48,-18.3,;39.97,-17.9,;31.22,-19.69,;31.23,-21.24,;29.89,-22.01,;28.56,-21.24,;28.56,-19.69,;29.89,-18.92,;29.88,-17.38,)|
FC(F)(F)c1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
Cc1sc2ncnc(N3CCC(CC3)C(=O)NCc3ccc(cc3)S(N)(=O)=O)c2c1C
Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)C(N)=O)c2c1C
CNC(=O)c1ccc(NC(=O)C2CCN(CC2)c2ncnc3sc(C)c(C)c23)cc1
Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(C)(=O)=O)c2c1C
Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)N3CCNC3=O)c2c1C
Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(F)cc3Cl)c2c1C
Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3cc(Cl)ccc3Cl)c2c1C
Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCCC3)c2c1C
Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CC[C@H](F)C3)c2c1C |r|
Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCCC(F)(F)C3)c2c1C
Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCOCC3)c2c1C
Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCSCC3)c2c1C
Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCCc4cc(ccc34)S(C)(=O)=O)c2c1C
Cc1sc2ncnc(N3CCC(CC3)Oc3cnc(C)nc3)c2c1C
Cc1sc2ncnc(N3CCC(CC3)Oc3ccc(C)nc3)c2c1C
Cc1sc2ncnc(N3CCC(CC3)Oc3ccc(F)nc3)c2c1C
Cc1sc2ncnc(N3CCC(CC3)Oc3ccc(Cl)nc3)c2c1C
Cc1sc2ncnc(N3CCC(CC3)Oc3ccc4OCCc4c3)c2c1C
Cc1ccc2ncnc(N3CCC(CC3)Oc3ccc(C)nc3)c2c1
Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1
CCCN(C1CCN(CC1)c1ncnc2sc(C)c(C)c12)c1ccc(C)nc1
CCCCN(C1CCN(CC1)c1ncnc2sc(C)c(C)c12)c1ccc(C)nc1
Cc1sc2ncnc(N3CCC(CC3)C(N)=O)c2c1C
Cc1ccc(OC2CCN(CC2)c2cc(C)nc3ccc(F)cc23)cn1
Cc1ccn2nc(C)nc(N3CCC(CC3)Oc3ccc(C)nc3)c12
Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1C
[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C
CC(C)S(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
Cc1c(nnc2c1c(c(s2)C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)N)C
Cc1nnc2sc(C(=O)NCc3cccc(c3)S(C)(=O)=O)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)CF)c(N)c2c1C
COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(C)(C)C)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C3CC3)c(N)c2c1C
CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(C)(=O)=O)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(c(F)c3)S(C)(=O)=O)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(c(F)c3)S(=O)(=O)C(F)F)c(N)c2c1C
C[S+]([O-])c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Cc1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(20.91,-29.51,;19.38,-29.74,;18.4,-28.53,;16.88,-28.77,;16.32,-30.21,;14.88,-30.76,;14.94,-32.29,;16.44,-32.7,;17.29,-31.42,;18.82,-31.19,;13.61,-33.07,;13.98,-34.53,;12.97,-33.81,;11.6,-33.88,;11.52,-32.18,;12.14,-31.03,;12.2,-32.44,;10.91,-33.15,;10.61,-34.59,)|
Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|
C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(O1)(c1ccccc1)c1ccccc1 |TLB:14:8:1:4.5,THB:10:8:1:4.5|
C[N+]1(C)CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1
CN(CCCCCCCCN(C)CCCCCCN1CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1)CCCCCCN1CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
CN(CCCCCCCCN(C)CCCCCCN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1)CCCCCCN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1
CCN1CCN(CC1)c1ccc(NC(=O)c2ccccc2)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(C)cc2)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)c2cc(ccc2C(F)(F)F)C(F)(F)F)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl
CN(C)CCN(C)C(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:9|
CN(C)CCC1=C\C(=C/c2ccccn2)c2ccccc12 |t:5|
CN(C)CCOC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.63,-5.72,;26.14,-5.39,;26.61,-3.92,;25.57,-2.78,;24.07,-3.12,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
CN(C)CCN(C)C(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:9|
CN(C)CCC1=C\C(=C/c2cccnc2)c2ccccc12 |t:5|
O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:13,(23.63,-10.62,;22.12,-10.32,;21.1,-11.46,;21.59,-12.93,;20.09,-13.37,;19.7,-14.93,;20.87,-16.02,;22.4,-15.56,;22.75,-14,;22.12,-15.11,;20.87,-15.48,;21.63,-8.85,;22.54,-7.61,;21.63,-6.36,;22.09,-4.91,;23.59,-4.57,;24.05,-3.12,;25.54,-2.78,;26.59,-3.92,;26.12,-5.39,;24.61,-5.71,;20.17,-6.85,;18.83,-6.08,;17.51,-6.87,;17.51,-8.39,;18.83,-9.17,;20.17,-8.39,)|
CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.07,-3.12,;25.57,-2.78,;26.61,-3.92,;26.14,-5.39,;24.63,-5.72,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
CN(C)CCNC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
CN1CCN(CC1)C(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:10|
CN(C)CCNC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
CN(C)CCOC(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:8|
CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
CN(C)CCNC(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:8|
[H][C@]12C[C@@]3([H])CCCC[C@]3([H])[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O
C[C@H]1CCC[C@@H](N1C)/C=C/[C@H]2[C@@H]3CCCC[C@@H]3C[C@H]4[C@@H]2[C@@H](OC4=O)C
[H][C@]12C[C@@]3([H])CCCC[C@@]3([H])[C@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O
[H][C@@]12C[C@]3([H])CCCC[C@]3([H])[C@@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@]1([H])[C@H](C)OC2=O
[H][C@]12C[C@@]3([H])CCCC[C@]3([H])[C@@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O
[H][C@@]12C[C@]3([H])CCCC[C@]3([H])[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@]1([H])[C@H](C)OC2=O
[H][C@]12C[C@@]3([H])CCCC[C@@]3([H])[C@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O
[H][C@@]12C[C@]3([H])CCCC[C@]3([H])[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@]1([H])[C@H](C)OC2=O
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(F)cc1
CC(C)NC(=O)c1sc2nc(C)cc(C)c2c1N
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccco1
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Fc1cccc(CCN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:10:17:15:13.19,9:19:17.18:15,11:18:15:13.19,12:13:17.18:15|
C(c1ccccc1)c1ncc2CCNCCc2n1
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)no1
Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|
C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5|
Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1
C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10|
CC(C)[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)C
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)cc1C |r|
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(F)c1 |r|
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(OC)c1 |r|
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)c(F)c1 |r|
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(C)cc1 |r|
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCCC1 |r|
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccs1 |r|
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(OC)cc1 |r|
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1Cl |r|
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCC1 |r|
Oc1ccc(C(=O)COc2ccccc2Br)c(O)c1
O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(CC1)c1ccncc1
COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccccc45)Cc3c12
CCOC(=O)c1c[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
COc1ccc2C3Oc4ccc5[nH]c(C)cc5c4CN3CCc2c1
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cccc(C)c45)Cc3c12
COC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccccc45)Cc3c12
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OCC)ccc45)Cc3c12
C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10|
COC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(C)ccc45)Cc3c12
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccc(OC)cc45)Cc3c12
COc1cc2CCN3Cc4c(OC3c2cc1OC)ccc1[nH]c(C)cc41
CCOC(=O)c1c[nH]c2ccc3OC4N(CCc5cc(OC)c(OC)cc45)Cc3c12
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)c(OC)cc45)Cc3c12
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Oc6ccccc6)ccc45)Cc3c12
COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OC(C)C)c5c4CN3CCc2c1
CCN(C)C1CCCc2ccncc12
O=C(C1CCN(CC1)c1cc(Oc2ccccc2)ncn1)N1CCc2ccccc2C1
Cc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
O=C(C1CCN(CC1)c1cc(Oc2ccc3ccccc3c2)ncn1)N1CCc2ccccc2C1
Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
Fc1cccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c1
Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
COc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
Fc1cccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c1F
Fc1ccc(F)c(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c1
Fc1cccc(F)c1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
Fc1cc(Cl)ccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3cc(ccc3C2)C(F)(F)F)c(F)c1
COc1ccc2CN(CCc2c1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1
COc1ccc2CCN(Cc2c1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1
Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1
Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCCc3ccccc3C2)c(F)c1
CN(Cc1ccccc1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1
O=C(C1CCN(CC1)c1cc(Oc2ccc3OCOc3c2)ncn1)N1CCc2ccccc2C1
Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(F)c1
Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(Cl)c1
Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCC3CCCCC3C2)c(F)c1
[H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3|
CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)NCc2ccccc2)c(F)c1
Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r|
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cccnc3F)c(N)c2c1C
COc1ncc(cn1)-c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccncc3F)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccnnc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccc(F)nc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cncc(F)c3)c(N)c2c1C
Cc1cc(cnc1F)-c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
Cc1nnc2sc(C(=O)NCc3cccc(Br)c3)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccccc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccccc3Br)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccncc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3cccc(c3)-c3ccccc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccccn3)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cccnc3)c(N)c2c1C
Cc1ncc(cn1)-c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cnccn3)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(Br)cc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccccc3-c3ccccc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccnc(F)c3)c(N)c2c1C
COC(=O)C1CC2CCCC1N2 |THB:2:4:11:9.8.7|
CCN1CC=C(C(C1)C(=O)OC)c1ccccc1 |c:4|
CCN1CCC(=C(C1)C(=O)OCC1CCCCC1)c1ccccc1 |c:5|
CCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:7|
CCN1CC=C(C(C1)C(=O)OCCCC1CCCCC1)c1ccccc1 |c:4|
CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:18|
CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1
CCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:10|
CCN1CCC(=C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:5|
CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:12|
CCN1CC[C@H]([C@H](C1)C(=O)OCCc1ccccc1)c1ccccc1
CCN1CCC(=C(C1)C(=O)OCCCC1CCCCC1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCC(C)C)c1ccccc1 |c:5|
CCCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:12|
CCN1CC=C(C(C1)C(=O)OCCc1ccccc1)c1ccccc1 |c:4|
CCN1CCC(=C(C1)C(=O)OCc1ccccc1)c1ccccc1 |c:5|
CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:14|
CCN1CCC(=C(C1)C(=O)OCCc1ccccc1)c1ccccc1 |c:5|
CCCCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:13|
CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:16|
CCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:5|
CCN1CC=C(C(C1)C(=O)OCC(c1ccccc1)c1ccccc1)c1ccccc1 |c:4|
CCN1CCC(=C(C1)C(=O)OC)c1ccccc1 |c:5|
CCN1CC[C@H]([C@@H](C1)C(=O)OC1CCCCC1)c1ccccc1
CCN1CCC(=C(C1)C(=O)OCCc1ccc(C)cc1)c1ccccc1 |c:5|
CCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:8|
CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:15|
CCN1CC=C(C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:4|
CCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:11|
CCN1CCC(=C(C1)C(=O)OCCCc1ccccc1)c1ccccc1 |c:5|
CCN1CC[C@H]([C@H](C1)C(=O)OC1CCCCC1)c1ccccc1
CCCCCc1noc(n1)C1=C(CCN(CC)C1)c1ccccc1 |t:11|
CCN1CCC(=C(C1)C(=O)OCCC1CCCCC1)c1ccccc1 |c:5|
CCCCCc1noc(n1)C1CN(CC)CC=C1c1ccccc1 |c:17|
CCN1CC=C(C(C1)C(=O)Oc1ccccc1)c1ccccc1 |c:4|
CCN1CC=C(C(C1)C(=O)OCCCc1ccccc1)c1ccccc1 |c:4|
CCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:6|
CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:17|
CCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:11|
CCN1CC=C(C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:4|
CCN1CC=C(C(C1)C(=O)OCCc1ccc(C)cc1)c1ccccc1 |c:4|
CCN1CCC(=C(C1)C(=O)OCC(c1ccccc1)c1ccccc1)c1ccccc1 |c:5|
CCN1CC=C(C(C1)C(=O)OCC1CCCCC1)c1ccccc1 |c:4|
CCN1CC=C(C(C1)C(=O)OCc1ccccc1)c1ccccc1 |c:4|
CCN1CCC(=C(C1)C(=O)Oc1ccccc1)c1ccccc1 |c:5|
CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:13|
CCN1CC=C(C(C1)C(=O)OCCCCCc1ccccc1)c1ccccc1 |c:4|
CCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:9|
CCN1CCC(=C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:5|
CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:19|
CCN1CC=C(C(C1)C(=O)OCC(C)C)c1ccccc1 |c:4|
CCN1CC=C(C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:4|
CCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:5|
CCN1CCC(=C(C1)C(=O)OCCCCCc1ccccc1)c1ccccc1 |c:5|
CCN1CC=C(C(C1)C(=O)OCCC1CCCCC1)c1ccccc1 |c:4|
Cc1nnc2sc(C(=O)NC3CN(C3)c3cccc(F)c3F)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)c3ccccn3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3ccccc3F)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)S(=O)(=O)c3ccccc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)c3ccncc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3ccccn3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3cncnc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3nc4cccnc4s3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3nc4ccccc4o3)c(N)c2c1C
COc1ccc(cc1)N1CC(C1)NC(=O)c1sc2nnc(C)c(C)c2c1N
Cc1nnc2sc(C(=O)NC3CN(C3)c3nc4ccccc4s3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3cccnc3F)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3cncc(F)c3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)c3ccccc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(F)cc3F)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)Oc3ccccc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c2c1C
COc1cccc(c1)N1CC(C1)NC(=O)c1sc2nnc(C)c(C)c2c1N
Cc1nnc2sc(C(=O)NC3CN(C3)c3ccnc(Cl)c3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(F)cc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3ccncn3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3ccccc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3cc(F)nc(F)c3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3ccncc3Cl)c(N)c2c1C
COc1cc(ccn1)N1CC(C1)NC(=O)c1sc2nnc(C)c(C)c2c1N
Cc1nnc2sc(C(=O)NC3CN(C3)c3cccnc3)c(N)c2c1C
COc1cncc(c1)N1CC(C1)NC(=O)c1sc2nnc(C)c(C)c2c1N
Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(nc3)C(F)(F)F)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)Nc3ccccc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(F)c(F)c3)c(N)c2c1C
Cc1cccc(OC(=O)N2CC(C2)NC(=O)c2sc3nnc(C)c(C)c3c2N)c1
Cc1nnc2sc(C(=O)NC3CN(C3)c3cnccn3)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)OCc3ccccc3)c(N)c2c1C
O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
Cc1ccc(OC2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)c(F)n1
Cc1ccc(OC2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)cn1
Fc1ccc2ncc(C#N)c(N3CCC(CC3)Oc3ccc(F)nc3)c2c1
Cc1ccc(OC2CCN(CC2)c2c(cnc3c(C)cc(F)cc23)C#N)cn1
COc1ccc(CNC(=O)C2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)cc1
Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)Nc3cccnc3)c2c1
Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)Nc3ccc(F)c(F)c3)c2c1
Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)Nc3ccncn3)c2c1
Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)Nc3ccccn3)c2c1
Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)N3CCOCC3)c2c1
Cc1cc(C)c(OC2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)cn1
Fc1ccc2ncc(C#N)c(N3CCC(CC3)Oc3cccnc3)c2c1
Cc1ccc(OC2CCN(CC2)c2c(cnc3cc(F)c(F)cc23)C#N)cn1
Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)N3CCSCC3)c2c1
Cc1ccc(OC2CCN(CC2)c2ccnc3ccc(F)cc23)cn1
COc1ccccc1CNC(=O)C1CCN(CC1)c1c(cnc2ccc(F)cc12)C#N
Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)N3CCc4ccccc4C3)c2c1
COc1ccc(CNC(=O)C2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)cc1F
COc1ccc2CN(CCc2c1)C(=O)C1CCN(CC1)c1c(cnc2ccc(F)cc12)C#N
NS(=O)(=O)c1ccc(NC(=O)C2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)cc1
Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)NCc3ccccc3)c2c1
Cc1ccc(OC2CCN(CC2)c2c(cnc3c(F)cc(F)cc23)C#N)cn1
Cc1ccc2ncc(C#N)c(N3CCC(CC3)Oc3ccc(C)nc3)c2c1
Cc1ccc(OC2CCN(CC2)c2c(cnc3ccc(Cl)cc23)C#N)cn1
Fc1ccc2ncc(C#N)c(N3CCC(CC3)Oc3ccc(Cl)nc3)c2c1
Cn1nccc1NC(=O)C1CCN(CC1)c1c(cnc2ccc(F)cc12)C#N
Cc1ccc(OC2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)c(C)n1
Fc1ccc2ncc(C#N)c(N3CCC(CC3)Oc3ccccc3)c2c1
Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)Nc3ccncc3)c2c1
Fc1ccc2ncc(C#N)c(N3CCC(CC3)Oc3ccc(nc3)C#N)c2c1
C(OC1=NOCC1)C#CC[NH+]1CCCCC1 |t:2|
C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 |t:7|
C(Oc1cc(on1)-c1ccccc1)C#CC[NH+]1CCCC1
C[N+]1(CC#CCOC2=NOCC2)CCCCC1 |t:7|
O=C1CCON1CC#CC[NH+]1CCCCC1
Cc1cc(OCC#CC[N+](C)(C)C)no1
Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
O=C1CCON1CC#CCN1CCCC1
C[NH+](C)CC#CCOc1cc(C)on1
C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc12 |t:7|
C[N+]1(CC#CCOc2cc(on2)-c2ccccc2)CCCC1
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
CCN1CCN(CC1)c1ccc(NC(=O)COc2ccccc2)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)CCC2CCCC2)cc1Cl
CCCCOc1cccc(c1)C(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
CCN1CCN(CC1)c1ccc(NC(=O)CC(C)(C)C)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)COCc2ccccc2)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)CCc2ccccc2)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)C2CCCCC2)cc1Cl
CCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41|
CCCCN(CCCC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1
CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
CCN(CC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1
C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(CC1)C1CC[N+](C)(CCCC(O)(c2ccccc2)c2ccccc2)CC1 |(6.92,-12.95,;7.69,-11.62,;6.35,-10.87,;6.33,-9.33,;4.99,-8.57,;4.97,-7.03,;4.94,-5.48,;6.5,-7,;7.3,-8.33,;8.83,-8.3,;9.58,-6.95,;8.78,-5.63,;7.25,-5.66,;3.44,-7.08,;2.63,-5.77,;1.1,-5.81,;.36,-7.17,;1.18,-8.48,;2.71,-8.43,;8.45,-12.95,;9.99,-12.97,;10.77,-11.64,;10.01,-10.29,;8.47,-10.29,;12.31,-11.65,;13.06,-12.99,;14.6,-13,;15.38,-11.68,;16.47,-10.58,;16.69,-12.49,;16.64,-14.03,;17.95,-14.84,;17.9,-16.38,;17.86,-17.91,;16.36,-16.34,;15.63,-14.98,;14.09,-14.94,;13.28,-16.25,;14.02,-17.61,;15.56,-17.65,;19.43,-16.44,;20.16,-17.8,;21.69,-17.85,;22.51,-16.55,;21.78,-15.18,;20.25,-15.13,;14.62,-10.33,;13.08,-10.32,)|
OC(CCCN1CCC(CC1)C1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1
O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
CC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
CCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccccc1
CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1
O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1
O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1
O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
CCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1
COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
[3H]CC([3H])C(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
CCC(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)C1
CC1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl
C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1nccn1C |r|
C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
C[C@@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
C[C@H]1CCCCN1c1ccc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
C[C@H]1CCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
C[C@H]1CCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
C[C@H]1CCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1c(C)noc1C |r|
CC1(C)CCCN(C1)c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1
C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)C1CCCCC1 |r|
C[C@H]1COCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
C[C@H]1CCCCN1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
C[C@H]1COCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1
C[C@H]1CCCCN1c1ccc(cn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
CC1(C)CCCN(C1)c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl
Clc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCC1=O
C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2ncccc2c1 |r|
Clc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCCC1
O=S(=O)(N1CCN(CC1)c1ccc(nn1)N1CCCCC1)c1ccc2OCOc2c1
Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCCC1
C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F |r|
C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
O=S(=O)(N1CCN(CC1)c1ccc(nn1)N1CCCCCC1)c1ccc2OCOc2c1
C[C@H]1CCCCN1c1cnc(cn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1 |r|
C[C@H]1COCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1c(C)noc1C |r|
C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1c(C)noc1C |r|
COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC[C@@H]1C |r|
Clc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCC1
COc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC[C@@H]1C |r|
C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1 |r|
C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:2.1,wD:10.11,(59.71,-34.29,;61.05,-33.54,;62.38,-34.31,;62.36,-35.85,;63.69,-36.62,;65.02,-35.86,;65.03,-34.32,;63.7,-33.54,;62.98,-34.91,;64.25,-35.52,;58.38,-33.53,;58.37,-31.99,;57.05,-31.22,;55.72,-31.99,;55.69,-33.52,;57.05,-34.29,;54.36,-32.75,;54.36,-31.21,;53.03,-30.44,;51.69,-31.21,;51.7,-32.76,;53.04,-33.52,;54.92,-34.86,;53.38,-34.85,;52.61,-36.18,;53.39,-37.52,;54.94,-37.51,;55.7,-36.18,)|
[H]C12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wD:8.10,21.25,TLB:9:8:2.3:6.5,(23.54,-9.18,;23.57,-7.64,;22.04,-8.3,;21.84,-6.92,;23.31,-6.28,;23.38,-4.63,;23.82,-5.74,;24.65,-6.88,;24.94,-8.28,;24.93,-9.81,;23.59,-10.56,;22.26,-9.79,;23.59,-12.1,;24.92,-12.9,;24.88,-14.45,;23.53,-15.19,;23.52,-16.72,;22.17,-17.47,;20.85,-16.68,;20.87,-15.14,;22.21,-14.39,;22.23,-12.84,;20.91,-12.06,;19.57,-12.81,;18.25,-12.02,;18.28,-10.47,;19.62,-9.73,;20.94,-10.52,)|
O=C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:11.12,wD:3.2,(41.47,-7.76,;41.47,-6.22,;42.8,-5.45,;44.13,-6.22,;44.12,-7.76,;45.44,-8.53,;46.78,-7.77,;46.79,-6.23,;45.46,-5.45,;44.73,-6.83,;46.01,-7.43,;40.14,-5.45,;40.13,-3.91,;38.81,-3.13,;37.48,-3.91,;37.45,-5.43,;38.81,-6.21,;36.12,-4.66,;36.12,-3.12,;34.79,-2.35,;33.45,-3.13,;33.46,-4.68,;34.79,-5.44,;36.68,-6.77,;35.14,-6.76,;34.37,-8.1,;35.15,-9.43,;36.7,-9.42,;37.46,-8.09,)|
C[C@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.21,wD:22.24,(42.31,-18.39,;40.98,-19.16,;40.98,-17.63,;39.65,-16.85,;38.32,-17.63,;38.29,-19.15,;39.65,-19.93,;36.96,-18.38,;36.96,-16.84,;35.63,-16.07,;34.29,-16.85,;34.3,-18.4,;35.64,-19.16,;37.52,-20.49,;35.98,-20.48,;35.21,-21.81,;35.99,-23.15,;37.54,-23.14,;38.3,-21.81,;42.31,-19.93,;42.31,-21.48,;43.64,-19.17,;44.98,-19.94,;44.96,-21.48,;46.29,-22.25,;47.62,-21.49,;47.63,-19.95,;46.3,-19.17,;45.58,-20.55,;46.85,-21.15,)|
C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:10.11,wD:2.1,(44.01,-33.15,;45.34,-32.4,;46.67,-33.17,;46.66,-34.71,;47.99,-35.48,;49.32,-34.72,;49.33,-33.18,;48,-32.4,;47.27,-33.77,;48.55,-34.38,;42.68,-32.39,;42.67,-30.85,;41.35,-30.07,;40.02,-30.85,;39.99,-32.38,;41.35,-33.15,;38.66,-31.61,;38.66,-30.07,;37.33,-29.3,;35.99,-30.07,;36,-31.62,;37.33,-32.38,;39.22,-33.71,;37.68,-33.71,;36.91,-35.04,;37.69,-36.38,;39.24,-36.37,;40,-35.03,)|
O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:11.12,3.2,(10.27,-7.87,;10.27,-6.34,;11.6,-5.57,;12.93,-6.34,;12.92,-7.88,;14.24,-8.65,;15.58,-7.89,;15.59,-6.35,;14.25,-5.57,;13.53,-6.94,;14.81,-7.55,;8.94,-5.56,;8.93,-4.02,;7.6,-3.25,;6.28,-4.02,;6.25,-5.55,;7.6,-6.32,;4.91,-4.78,;4.92,-3.24,;3.59,-2.47,;2.25,-3.24,;2.26,-4.79,;3.59,-5.56,;5.48,-6.89,;3.94,-6.88,;3.17,-8.21,;3.94,-9.55,;5.49,-9.54,;6.26,-8.21,)|
O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:11.12,3.2,(25.85,-7.85,;25.85,-6.31,;27.18,-5.54,;28.51,-6.32,;28.5,-7.85,;29.82,-8.63,;31.16,-7.86,;31.17,-6.33,;29.83,-5.55,;29.11,-6.92,;30.39,-7.53,;24.52,-5.54,;24.51,-4,;23.18,-3.22,;21.86,-4,;21.83,-5.53,;23.18,-6.3,;20.49,-4.76,;20.5,-3.22,;19.17,-2.45,;17.83,-3.22,;17.84,-4.77,;19.17,-5.53,;21.06,-6.86,;19.52,-6.85,;18.75,-8.19,;19.52,-9.52,;21.07,-9.52,;21.84,-8.18,)|
O=C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:3.2,wD:11.12,(58.89,-7.67,;58.89,-6.13,;60.23,-5.37,;61.56,-6.14,;61.54,-7.68,;62.87,-8.45,;64.2,-7.69,;64.21,-6.15,;62.88,-5.37,;62.16,-6.74,;63.43,-7.35,;57.56,-5.36,;57.56,-3.82,;56.23,-3.04,;54.9,-3.82,;54.87,-5.35,;56.23,-6.12,;53.54,-4.58,;53.54,-3.04,;52.21,-2.27,;50.87,-3.04,;50.88,-4.59,;52.22,-5.35,;54.1,-6.68,;52.56,-6.68,;51.8,-8.01,;52.57,-9.35,;54.12,-9.34,;54.88,-8,)|
C[C@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@@H]1CN2CCC1CC2 |r,wU:1.21,22.24,(10.43,-17.74,;9.11,-18.52,;9.1,-16.98,;7.78,-16.21,;6.45,-16.98,;6.42,-18.51,;7.78,-19.28,;5.08,-17.74,;5.09,-16.2,;3.76,-15.43,;2.42,-16.2,;2.43,-17.75,;3.76,-18.51,;5.65,-19.85,;4.11,-19.84,;3.34,-21.17,;4.12,-22.51,;5.66,-22.5,;6.43,-21.17,;10.44,-19.28,;10.44,-20.83,;11.77,-18.53,;13.1,-19.3,;13.09,-20.84,;14.42,-21.61,;15.75,-20.85,;15.76,-19.31,;14.43,-18.53,;13.7,-19.9,;14.98,-20.51,)|
C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.0,wD:22.24,(27.76,-18.67,;26.43,-19.45,;26.43,-17.91,;25.1,-17.14,;23.77,-17.91,;23.74,-19.44,;25.1,-20.21,;22.41,-18.67,;22.41,-17.13,;21.08,-16.36,;19.74,-17.13,;19.75,-18.68,;21.09,-19.44,;22.97,-20.78,;21.43,-20.77,;20.66,-22.1,;21.44,-23.44,;22.99,-23.43,;23.75,-22.1,;27.76,-20.21,;27.76,-21.76,;29.1,-19.46,;30.43,-20.23,;30.41,-21.77,;31.74,-22.54,;33.07,-21.78,;33.08,-20.24,;31.75,-19.46,;31.03,-20.83,;32.3,-21.44,)|
C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@@H]1CN2CCC1CC2 |r,wU:1.0,22.24,(58.5,-19.15,;57.17,-19.93,;57.17,-18.39,;55.84,-17.61,;54.52,-18.39,;54.49,-19.92,;55.84,-20.69,;53.15,-19.15,;53.16,-17.61,;51.82,-16.84,;50.49,-17.61,;50.5,-19.16,;51.83,-19.92,;53.72,-21.25,;52.18,-21.24,;51.41,-22.58,;52.18,-23.92,;53.73,-23.91,;54.49,-22.57,;58.51,-20.69,;58.51,-22.24,;59.84,-19.93,;61.17,-20.71,;61.16,-22.24,;62.48,-23.02,;63.82,-22.25,;63.83,-20.71,;62.49,-19.94,;61.77,-21.31,;63.05,-21.92,)|
C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:10.11,2.1,(11.64,-32.33,;12.97,-31.58,;14.3,-32.35,;14.29,-33.89,;15.61,-34.66,;16.95,-33.9,;16.95,-32.36,;15.62,-31.58,;14.9,-32.95,;16.17,-33.56,;10.3,-31.57,;10.3,-30.03,;8.97,-29.25,;7.64,-30.03,;7.62,-31.56,;8.97,-32.33,;6.28,-30.79,;6.29,-29.25,;4.95,-28.48,;3.62,-29.25,;3.62,-30.8,;4.96,-31.56,;6.85,-32.89,;5.31,-32.89,;4.54,-34.22,;5.31,-35.56,;6.86,-35.55,;7.62,-34.21,)|
C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:10.11,2.1,(29.11,-33.44,;30.44,-32.68,;31.77,-33.45,;31.76,-34.99,;33.08,-35.76,;34.42,-35,;34.43,-33.46,;33.1,-32.68,;32.37,-34.06,;33.65,-34.67,;27.77,-32.68,;27.77,-31.14,;26.45,-30.36,;25.12,-31.14,;25.09,-32.66,;26.45,-33.44,;23.75,-31.9,;23.76,-30.35,;22.43,-29.59,;21.09,-30.36,;21.1,-31.91,;22.43,-32.67,;24.32,-34,;22.78,-33.99,;22.01,-35.33,;22.78,-36.66,;24.33,-36.66,;25.1,-35.32,)|
CN(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
CN(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc34)CC2)cc1OC
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|
CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1ccccc1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cccc(Cl)c1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
CCCCC1CCN(CCCN2C(=O)COc3cc(F)ccc23)CC1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)|
C(C1CCCCC1)N1C2CCC1CC2
C[N+](C)(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
CN(C)CC1COCC(O1)(c1ccccc1)c1ccccc1
C[N+](C)(C)C[C@@H]1COC[C@@H](O1)C(c1ccccc1)c1ccccc1 |r|
C[N+](C)(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccccc1 |r|
CC[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1
C[N+](C)(C)C[C@@H]1COC[C@H](O1)C(c1ccccc1)c1ccccc1 |r|
C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccncc1
O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CC2CN(CC2C1)c1ccncc1
Cc1cc2n(C3CCN(CC3)C3CCOCC3)c(=O)[nH]c2cc1F
Cc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCOCC3)c2c1
O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCOCC1
O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCCCC1
Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5|
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18|
COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccn1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1ccc2c(C)c(oc2c1)C(=O)N(CCCN1CCCCC1)c1ccccc1
COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC
CN(C)CC1CCOC1(c1ccccc1)c1ccccc1
O=C(CN1CCNCC1)N1c2ncccc2NC(=O)c2cccnc12
C[N+](C)(C)C[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
CN1CCC[C@H]1[C@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
CN1CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
CN1CCC[C@@H]1[C@@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
CN1CCC[C@H]1[C@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|
CN1CCC[C@@H]1[C@@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|
C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|
C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|
CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@H]12 |r|
CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@@H]12 |r|
CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
CN(C)[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
C1CNC(C1)c1ccco1
Cc1ccc(C[N+](C)(C)C)o1
Cc1ccc(o1)[C@@H]1CCC[N+]1(C)C |r|
Cc1ccc(o1)[C@H]1CCC[N+]1(C)C |r|
C[N+]1(C)CCC[C@H]1c1ccco1 |r|
C[N+]1(C)CCC[C@@H]1c1ccco1 |r|
CN1CCC[C@H]1c1ccc(C)o1 |r|
CN1CCC[C@@H]1c1ccc(C)o1 |r|
CN1CCC[C@H]1c1ccco1 |r|
CN1CCC[C@@H]1c1ccco1 |r|
Cc1ccc(o1)[C@@H]1CCCN1 |r|
Cc1ccc(o1)[C@H]1CCCN1 |r|
C1CN[C@@H](C1)c1ccco1 |r|
C1CN[C@H](C1)c1ccco1 |r|
CN1CCCC1c1ccc(o1)C(O)(c1ccccc1)c1ccccc1
CN1CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1
CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
CN1CCC[C@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
CN1CCC[C@@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|
CN1CCC[C@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|
CN1CCCC1c1ccc(o1)C(c1ccccc1)c1ccccc1
CN1CCCC1c1ccc(o1)C(C1CCCCC1)c1ccccc1
C[N+]1(C)CCCC1c1ccc(o1)C(O)(c1ccccc1)c1ccccc1
C[N+]1(C)CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1
C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
C[N+]1(C)CCC[C@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|
C[N+]1(C)CCC[C@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|
C[N+]1(C)CCCC1c1ccc(o1)C(c1ccccc1)c1ccccc1
C[N+]1(C)CCCC1c1ccc(o1)C(C1CCCCC1)c1ccccc1
C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C |r|
C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C |r|
C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C |r|
CC1(C)COC[C@@H](C[N+](C)(C)C)O1 |r|
CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 |r|
C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 |r|
C[C@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C |r|
C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C |r|
CC1(C)CO[C@H](C[N+](C)(C)C)CO1 |r|
C[C@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C |r|
C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1=CCNCC1 |t:20|
C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Clc1csc(n1)-c1ccccc1C(=O)NCC1CCNCC1
C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Clc1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1
Fc1ccc(Cl)cc1-c1ccccc1C(=O)NCC1CCNCC1
CC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1
Cc1ccc(cc1Cl)-c1ccccc1C(=O)NCC1CCNCC1
CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(OC)ccc2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.84,;6,-9.08,;4.66,-9.84,;7.32,-11.4,;8.65,-12.17,;9.99,-11.4,;11.47,-11.88,;12.38,-10.62,;13.92,-10.62,)|
CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;7.32,-11.41,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,;5.99,-9.08,;4.66,-8.31,)|
CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.01,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.16,-9.04,;14.95,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.41,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.8,;7.79,-13.57,;7.78,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.34,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.12,-12.03,;7.54,-11.7,)|
CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(=O)(=O)CC |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.68,-11.46,;7.22,-11.46,;5.12,-13.57,;3.79,-12.81,)|
CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:4.3,7.7,(21.01,-2.29,;19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.68,-11.46,;7.22,-11.46,)|
COCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)ccc2oc1=O |r,wD:5.4,8.8,(21.77,-.95,;21.02,-2.29,;19.48,-2.31,;18.72,-3.65,;17.18,-3.67,;16.43,-5.02,;14.89,-5.04,;14.13,-6.38,;14.92,-7.7,;13.38,-7.7,;16.47,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.37,;14.22,-11.71,;12.67,-11.73,;11.88,-10.42,;12.63,-9.07,;11.94,-13.09,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;6.46,-12.8,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.94,-15.61,;12.85,-14.35,;14.39,-14.35,)|
COCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N |r,wD:5.4,8.8,(17.03,-5.3,;16.28,-6.64,;14.74,-6.66,;13.99,-8,;12.45,-8.02,;11.69,-9.36,;10.15,-9.39,;9.39,-10.73,;10.19,-12.05,;8.64,-12.05,;11.73,-12.03,;12.48,-10.69,;9.43,-13.39,;10.22,-14.71,;9.48,-16.05,;7.94,-16.08,;7.14,-14.77,;7.89,-13.42,;7.2,-17.43,;5.72,-17.91,;4.38,-17.16,;3.05,-17.92,;3.05,-19.48,;4.39,-20.24,;5.72,-19.48,;7.2,-19.96,;8.11,-18.7,;9.65,-18.7,;1.72,-17.15,;.39,-16.38,)|
CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2[nH]c1=O |r,wD:4.3,7.7,(20.55,1.43,;19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;5.99,-12.18,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|
CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:4.3,7.7,(20.54,1.43,;19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;12.38,-10.62,;13.92,-10.62,;11.47,-11.88,;9.99,-11.4,;8.65,-12.17,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.84,)|
CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:3.2,6.6,(19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8,;11.4,-6.69,;12.16,-5.34,;11.46,-9.36,;12.38,-10.62,;13.92,-10.62,;11.47,-11.88,;9.98,-11.4,;8.65,-12.16,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.84,)|
CO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:2.1,5.5,(18.25,.07,;16.71,.05,;15.95,-1.29,;14.41,-1.31,;13.66,-2.66,;14.45,-3.97,;12.9,-3.97,;15.99,-3.95,;16.74,-2.62,;13.69,-5.31,;14.48,-6.64,;13.74,-7.98,;12.2,-8,;11.4,-6.69,;12.15,-5.34,;11.46,-9.36,;12.37,-10.62,;13.91,-10.62,;11.46,-11.88,;9.98,-11.4,;8.65,-12.16,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.83,)|
CO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)ccc2oc1=O |r,wD:2.1,5.5,(6.13,6.12,;4.59,6.1,;3.84,4.76,;2.3,4.74,;1.54,3.39,;2.33,2.07,;.79,2.07,;3.87,2.09,;4.62,3.43,;1.58,.73,;2.37,-.59,;1.62,-1.93,;.08,-1.96,;-.71,-.64,;.04,.7,;-.65,-3.31,;-2.14,-3.79,;-3.47,-3.03,;-4.8,-3.8,;-6.13,-3.02,;-4.8,-5.35,;-3.47,-6.12,;-2.13,-5.35,;-.65,-5.83,;.26,-4.57,;1.8,-4.58,)|
CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2ccccc2oc1=O |r,wD:3.2,6.6,(19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.98,-9.84,;8.65,-9.08,;7.32,-9.84,;7.32,-11.4,;8.65,-12.17,;9.99,-11.4,;11.47,-11.88,;12.38,-10.62,;13.92,-10.62,)|
CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;5.99,-12.18,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|
CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)cc(F)c2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;8.66,-12.17,;8.66,-13.71,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|
OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)|
C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)c1ccccc1
COc1ccc(C)c2sc(NC(=O)c3ccncc3)nc12
COc1ccc(C)c2sc(NC(=O)C3CC3C)nc12
COc1ccc(C)c2sc(NC(=O)C3CCC3)nc12
COc1ccc(C)c2sc(NC(=O)C3CCCC3)nc12
COc1ccc(C)c2sc(NC(=O)C3CCCCO3)nc12
COc1ccc(C)c2sc(NC(=O)C3CCCOC3)nc12
COc1ccc(C)c2sc(NC(=O)c3cccnc3)nc12
COc1ccc(C)c2sc(NC(=O)c3cnccn3)nc12
COc1ccc(C)c2sc(NC(=O)NC3CC3)nc12
COc1ccc(C)c2sc(NC(=O)N3CCCC3)nc12
COc1ccc(C)c2sc(NC(=O)NC3CCCC3)nc12
COc1ccc(C)c2sc(nc12)C(=O)NC1CC1
COc1cccc2sc(NC(=O)c3ccncc3)nc12
COc1ccc(C)c2sc(NC(=O)C3=COCCO3)nc12 |t:13|
CCCC(=O)Nc1nc2c(OC)ccc(C)c2s1
COc1ccc(C)c2sc(NC(=O)c3ccco3)nc12
COc1ccc(C)c2sc(NC(=O)C3CCCCC3)nc12
COc1ccc(C)c2sc(NC(=O)C3CC3)nc12
COCC(=O)Nc1nc2c(OC)ccc(C)c2s1
COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |t:27|
Cc1nc2sc(C(=O)NCC3CCCCC3)c(N)c2c(C)c1Cl
CN1CCCC1CCNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N
COCCCNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N
Cc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NC3CCOCC3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NC3CCCCC3)c(N)c2c(C)c1Cl
CC(C)NC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N
Cc1nc2sc(C(=O)NC3COC3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NC3CCOC3)c(N)c2c(C)c1Cl
CCOc1ccc(NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1
COc1ccc(NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1
CN(C)c1ccccc1CNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N
Cc1nc2sc(C(=O)NCc3ccc(cc3)C(F)(F)F)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NCc3nccs3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NCc3ccc(Cl)cc3)c(N)c2c(C)c1Cl
Cc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1
Cc1nc2sc(C(=O)NCc3ccccc3Cl)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NCc3ccc(F)c(F)c3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NCc3ccccc3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NCc3ccc4OCOc4c3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NCc3ccnnc3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NCc3ncccn3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NCc3ccncn3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NCc3cnccn3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NCCc3ccccn3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NCCc3cccnc3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NCCc3ccncc3)c(N)c2c(C)c1Cl
CC(NC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N)c1ccccn1
Cc1nc2sc(C(=O)NCc3ccccn3)c(N)c2c(C)c1Cl
CC(NC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N)c1cccnc1
Cc1nc2sc(C(=O)NCc3cccnc3)c(N)c2c(C)c1Cl
Cc1cc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)ccn1
CC(NC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N)c1ccncc1
Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c2c(C)c1Cl
COc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F |r|
Cc1ccccc1CN1CCC(CC1)N1CC2CC(CC2C1)n1c2ccccc2[nH]c1=O
CCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
Cc1cccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)S(=O)(=O)c3cccc(Cl)c3)CC2)c1N
COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2cccc(F)c2)cc1OC |t:11|
CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1F |c:4|
CN1CCC(=C(C1)C(=O)OCCc1cccc2ccccc12)c1ccccc1 |c:4|
COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11|
CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:4|
CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCCc1ccc(OC)cc1)c1ccccc1 |c:5|
CN1[C@H]2CC(C[C@H]1[C@@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:8:9:1:3.5.4,8:7:1:3.5.4,THB:10:4:9.7:1|
CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](C1)N1C(=O)Cc3ccccc13)C2 |r,THB:3:5:11.28.10:7.8|
CCOC(=O)N1CCC(O)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r|
CCOC(=O)N1CCC(C)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r|
FC(F)(F)Oc1ccc2N(CCOc3ccccc3)C(=O)C(=O)c2c1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 |r|
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1
Cc1cc2C(=O)OCc2nc1N1CCC(CC1)Oc1cccc(c1)C#N
Cc1cc(nnc1N1CCC(CC1)Oc1ccc2OCCOc2c1)C(=O)NCc1ccncc1
Cc1c(Cl)nc(CO)nc1N1CC[C@@H](Oc2ccc3[nH]ncc3c2)[C@@H](F)C1 |r|
Cc1cc2CN(Cc2nc1N1CCC(CC1)Oc1ccccc1)S(C)(=O)=O
Cc1cc2c(cn[nH]c2=O)nc1N1CCC(CC1)OCC1(C)CC1
COc1ccc(OC2CCN(CC2)c2nc(CO)nc(Cl)c2C)cn1
COc1ccc(OC2CCN(CC2)c2nc3cn[nH]c(=O)c3cc2C)cn1
COc1ccc(OC2CCN(CC2)c2nc3[nH]c(=O)[nH]c(=O)c3cc2C)cn1
Cc1cn2c(n[nH]c2=O)nc1N1CCC(CC1)Oc1ccc2COCc2c1
Cc1cc2C(=O)NCc2nc1N1CCC(CC1)Oc1ccc2[nH]ncc2c1
COc1ccc(OC2CCN(CC2)c2nc3oc(=O)[nH]c(=O)c3c(Cl)c2C)cn1
Cc1cc2C(=O)NCc2nc1N1CC[C@@H](Oc2ccc3n(C)ncc3c2)[C@@H](F)C1 |r|
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1cccc(Cl)n1
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ncc(F)cc1Cl
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
COc1ccc(CNC(=O)c2ccc3nc(C)cc(C)c3c2)cc1F
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ncc(F)cn1
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccc(cn1)C(F)(F)F
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ncc(Cl)cc1Cl
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccnc(OC(F)F)c1
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccc(F)c(F)c1
CC(C)Oc1cnc(nc1)N1CC(C1)NC(=O)c1ccc2nc(C)cc(C)c2c1
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccc(nc1)C(F)(F)F
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccnc(F)c1F
COc1cc(N2CC(C2)NC(=O)c2ccc3nc(C)cc(C)c3c2)c(Cl)cn1
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccnc(c1)C(F)(F)F
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccc(Cl)cn1
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ncc(cn1)C(F)(F)F
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ncc(Cl)cc1F
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ncccc1Cl
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1cnc(cn1)C1CC1
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1cnc(cn1)C(F)(F)F
Cc1cc(cc(OC(F)F)n1)N1CC(C1)NC(=O)c1ccc2nc(C)cc(C)c2c1
Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1cc(Cl)nc(Cl)c1
COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
Cc1c2c(c(sc2nc(c1Cl)OC)C(=O)NC3CC3)N
Cc1nnc2sc(C(=O)N3CC(C3)c3cccc(F)c3)c(N)c2c1C
COc1ccc(cc1)C1CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
Cc1nnc2sc(C(=O)N3CC(F)(C3)c3cccc(F)c3)c(N)c2c1C
CC1C(CN1C(=O)c1sc2nnc(C)c(C)c2c1N)c1ccccc1
Cc1nnc2sc(C(=O)N3CC(C3)c3cccs3)c(N)c2c1C
Cc1cccc(c1)C1CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
Cc1ccc(cc1)C1CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
COc1ccccc1C1CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
Cc1nnc2sc(C(=O)N3CC(C3)c3ccc(F)cc3)c(N)c2c1C
Cc1nnc2sc(C(=O)N3CC(C3)c3ccc(Br)cc3)c(N)c2c1C
COC1(CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N)c1cccc(F)c1
CCCCC1(F)CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
CC1C(CN1C(=O)c1sc2nnc(C)c(C)c2c1N)c1cccc(F)c1
Cc1nnc2sc(C(=O)N3CC(C3)C3CCCCC3)c(N)c2c1C
Cc1nnc2sc(C(=O)N3CC(C3)c3ccccc3)c(N)c2c1C
Cc1nnc2sc(C(=O)N3CC(O)(C3)c3ccccc3)c(N)c2c1C
Cc1nnc2sc(C(=O)N3CC4(C3)CCN(C4)c3cccnc3)c(N)c2c1C
Cc1nnc2sc(C(=O)N3CC(C3)c3ccccc3F)c(N)c2c1C
Cc1ccccc1C1CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
COc1cccc(c1)C1CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
Cc1nnc2sc(C(=O)N3CC(C3)c3ccc(Cl)cc3)c(N)c2c1C
Cc1nnc2sc(C(=O)N3CC(F)(C3)c3ccccn3)c(N)c2c1C
Cc1nnc2sc(C(=O)N3CC(C)(F)C3)c(N)c2c1C
Cn1cc(cn1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CCOCC2)cn1
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cccc(Cl)c45)Cc3c12
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Cl)ccc45)Cc3c12
CCOC(=O)c1c(C)n(CC)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c12
CCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
CCOC(=O)c1c(C)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
COC(=O)c1c(C)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(SC)ccc5C4Oc3ccc2n1C
CCN(C)C(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCOC(=O)c1c(CC)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
COc1ccc(Cn2c(C)c(C(=O)OCC=C)c3c4CN5CCc6cc(OC)ccc6C5Oc4ccc23)cc1
CCCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC
CCCCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
CCCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(O)ccc45)Cc3c12
COc1ccc2C3Oc4ccc5[nH]c(C)c(-c6nc(C)no6)c5c4CN3CCc2c1
CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(OC)ccc5C4Oc3ccc2n1C
CCCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
CCOC(=O)c1c(CC)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCC=C)c5c4CN3CCc2c1
COc1ccc2C3Oc4ccc5[nH]c(C)c(Cc6ccccc6)c5c4CN3CCc2c1
COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCc6ccccc6)c5c4CN3CCc2c1
CCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC
C[C@@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
CCC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:3|
CC(C)N(CCC1=C(C(C)c2ccccn2)c2ccccc2C1)C(C)C |c:6|
CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc12)c1ccccn1 |c:2|
CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 |c:8|
CC(C1=C(CCN(C)CCF)Cc2ccccc12)c1ccccn1 |c:2|
CC(C1=C(CCN2CCOCC2)Cc2ccccc12)c1ccccn1 |c:2|
COc1ccc2CC(CCN(C)C)=C(C(C)c3ccccn3)c2c1 |t:12|
CC(C1=C(CCN(C)C)Cc2ccc(C)cc12)c1ccccn1 |c:2|
CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 |c:7|
CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 |c:8|
CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 |c:8|
CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:3|
CCCC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:4|
CC(C)N(C)CC1=C(C(C)c2ccccn2)c2ccccc2C1 |c:6|
COc1ccc2C(C(C)c3ccccn3)=C(CCN(C)C)Cc2c1 |t:15|
CN(C)CCC1=C(c2ccccc2C1)C(C)(C)c1ccccn1 |t:5|
CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 |c:5|
CC(C1=C(CCN2CCCC2)Cc2ccccc12)c1ccccn1 |c:2|
CC(C1=C(CCN(C)C)Cc2ccc(F)cc12)c1ccccn1 |c:2|
CC(C1=C(CCCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccc1 |c:2|
CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 |c:8|
CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:2|
CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1 |c:5|
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |r,c:2|
CSc1ccc2CC(CCN(C)C)=C(C(C)c3ccccn3)c2c1 |t:12|
CC(C)N(C)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 |c:7|
CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 |c:8|
CC(C1=C(CN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 |c:5|
CC(C1=C(CCN(C)C)Cc2cc(C)ccc12)c1ccccn1 |c:2|
CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 |c:5|
CC(C1=C(CCN2CCCCC2)Cc2ccccc12)c1ccccn1 |c:2|
[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@@]1([H])CCCN1C |r|
[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C
[H][C@@]1(C[S@@+]([O-])[C@@H](C)O1)[C@]1([H])CCC[N+]1(C)C
[H][C@@]1(C[S@+]([O-])[C@@H](C)O1)[C@@]1([H])CCCN1C |r|
[H][C@]1(C[S@+]([O-])[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C
[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@@]1([H])CCC[N+]1(C)C
[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@]1([H])CCCN1C |r|
[H][C@@]1(C[S@@+]([O-])[C@@H](C)O1)[C@@]1([H])CCCN1C |r|
C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1
[H][C@@]1(C[S@+]([O-])[C@@H](C)O1)[C@]1([H])CCC[N+]1(C)C
[H][C@@]1(C[S@@+]([O-])[C@@H](C)O1)[C@]1([H])CCCN1C |r|
[H][C@]1(C[S@+]([O-])[C@H](C)O1)[C@]1([H])CCCN1C |r|
[H][C@]1(C[S@+]([O-])[C@H](C)O1)[C@@]1([H])CCC[N+]1(C)C
CN1CCC=C(C1)C(=O)OCC#C |c:4|
[H][C@@]1(C[S@+]([O-])[C@@H](C)O1)[C@]1([H])CCCN1C |r|
[H][C@]1(C[S@+]([O-])[C@H](C)O1)[C@@]1([H])CCCN1C |r|
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
CC[C@H](C)C(C(=O)OCCCN(CC)CC)c1ccccc1 |r|
CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1
CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1
CCN(CC)CCOC(=O)C(O)(C1CCCCC1)c1cccs1
C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1
CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1
CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
CN1CCC(CC1)OC(=O)C(CO)c1cccc(c1)C(F)(F)F
COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1
COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1F
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(F)c1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)c(F)cc1F
COc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1
COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1F
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)cc(F)c1F
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r|
COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6|
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1ncccn1
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cncc(C)n1
CCOC(=O)N1CCC2(CC(C2)N2CCC(CC2)c2ncccc2OC)C1
CCNS(=O)(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
CCCC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
CCNC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)C(=O)OCC(C)C
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cnccn1
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cnc(C)cn1
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1nccs1
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cnsn1
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1nsnc1C
COc1nsnc1N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
CCOC(=O)N1CCC(CN2CCC(CC2)c2ncccc2OC)CC1
COc1cccnc1C1CCN(CC1)C1CC2(C1)CCN(C2)c1cnccn1 |(9.28,-22.81,;7.74,-22.82,;6.97,-24.15,;5.43,-24.16,;4.66,-25.49,;5.43,-26.81,;6.97,-26.81,;7.74,-25.49,;9.28,-25.48,;10.05,-26.81,;11.58,-26.82,;12.36,-25.49,;11.59,-24.15,;10.05,-24.14,;13.9,-25.49,;14.99,-26.58,;16.09,-25.51,;14.99,-24.41,;16.78,-24.13,;18.3,-24.37,;18.54,-25.9,;17.17,-26.59,;19.92,-26.59,;19.99,-28.13,;21.36,-28.83,;22.65,-27.99,;22.57,-26.44,;21.2,-25.75,)|
[H][C@@]12CN(C[C@]1([H])[C@@H]2c1nccn1-c1ccccc1)C1CC2(C1)CCN(C2)C(=O)OCC |r,wU:7.9,wD:5.6,1.0,(35.13,-24.49,;36.66,-24.63,;36.14,-26.08,;37.36,-27.02,;38.63,-26.15,;38.19,-24.66,;39.73,-24.57,;37.46,-23.32,;37.49,-21.78,;38.75,-20.91,;38.31,-19.43,;36.77,-19.4,;36.26,-20.85,;34.79,-21.3,;33.66,-20.24,;32.19,-20.68,;31.84,-22.18,;32.97,-23.24,;34.44,-22.79,;37.32,-28.56,;36.19,-29.61,;37.24,-30.73,;38.37,-29.67,;38.37,-31.77,;37.74,-33.18,;36.21,-33.01,;35.9,-31.5,;35.17,-34.14,;35.64,-35.61,;33.67,-33.81,;32.63,-34.96,;31.13,-34.63,)|
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1nccnc1C
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cccnc1
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1ccncc1
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cncnc1
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1nncs1
COc1cccnc1C1CCN(CC2CCN(CC2)c2cnccn2)CC1
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cccnn1
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)C(=O)OC(C)C
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1ncns1
[H][C@@]12CN(C[C@]1([H])[C@@H]2c1nccn1-c1ccccc1)C1CC2(C1)CCN(C2)c1cnccn1 |r,wU:7.9,wD:5.6,1.0,(54.59,-22.58,;56.12,-22.72,;55.6,-24.17,;56.83,-25.11,;58.1,-24.24,;57.66,-22.75,;59.2,-22.66,;56.92,-21.41,;56.96,-19.87,;58.21,-18.99,;57.77,-17.52,;56.23,-17.48,;55.72,-18.94,;54.25,-19.39,;53.13,-18.33,;51.65,-18.77,;51.3,-20.27,;52.44,-21.33,;53.91,-20.88,;56.78,-26.66,;55.65,-27.7,;56.7,-28.83,;57.83,-27.76,;57.84,-29.87,;57.21,-31.27,;55.67,-31.1,;55.36,-29.59,;54.65,-32.24,;55.11,-33.69,;54.09,-34.83,;52.58,-34.5,;52.11,-33.04,;53.15,-31.91,)|
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1ccccn1
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1nc(C)cs1
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
CC[C@]12CC(=O)N(Cc3cn(Cc4ccccc4)nn3)[C@@]11N(CCC2)CCc2c1[nH]c1ccccc21 |r|
COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:11:12:15.16:18.19,(19.07,-20.84,;17.73,-21.62,;16.4,-20.85,;15.06,-21.62,;13.73,-20.85,;13.74,-19.31,;12.4,-18.54,;11.07,-19.31,;9.74,-18.54,;8.4,-19.31,;8.4,-20.85,;7.07,-18.54,;5.74,-19.31,;5.39,-20.74,;3.9,-20.23,;3.89,-18.2,;4.49,-16.94,;4.52,-18.86,;2.82,-19.32,;2.41,-20.75,;9.74,-17,;8.4,-16.23,;8.41,-14.68,;9.73,-13.91,;11.07,-14.68,;11.07,-16.23,;15.06,-18.54,;16.39,-19.3,)|
Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(18.31,-36.25,;16.97,-35.49,;15.64,-36.26,;14.31,-35.49,;14.31,-33.95,;12.98,-33.18,;11.65,-33.95,;10.31,-33.18,;8.98,-33.95,;8.98,-35.49,;7.65,-33.18,;6.31,-33.95,;5.96,-35.38,;4.48,-34.87,;4.47,-32.84,;5.07,-31.58,;5.1,-33.5,;3.39,-33.95,;2.99,-35.39,;10.31,-31.64,;8.98,-30.87,;8.98,-29.32,;10.31,-28.55,;11.65,-29.32,;11.65,-30.87,;15.64,-33.17,;16.97,-33.94,)|
Cc1nc2sc3c(NCc4ccc(F)cc4)nn(C)c3c2c(C)c1Cl
Cc1nnc2sc(C(=O)NC3COC3)c(C3CC3)c2c1C
Cc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc(OC(F)(F)F)cc1
COc1ccc(CNC(=O)c2cc3c(C)cc(C)nc3s2)cc1
Cc1nnc2sc3c(NCc4ccc5OCCOc5c4)nn(C)c3c2c1C
Cc1nnc2sc3c(NCc4ccco4)nn(C)c3c2c1C
Cc1nnc2sc3c(NCC4CCCO4)nn(C)c3c2c1C
Cc1nc2sc3c(NCc4ccco4)nn(C)c3c2c(C)c1Cl
Cc1nc2sc3c(NCC4CC4)nn(C)c3c2c(C)c1Cl
COc1ccc(CNc2nn(C)c3c2sc2nc(C)c(Cl)c(C)c32)cc1
Cc1cc(C)c2c(n1)sc1c(NCc3ccco3)n[nH]c21
Cc1cc(C)c2c(n1)sc1c(NCC3CC3)n[nH]c21
Cc1cc(C)c2c(n1)sc1c(NCc3ccccc3)n[nH]c21
COc1ccc(CNc2n[nH]c3c2sc2nc(C)cc(C)c32)cc1
COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2C)cc1F
CCc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
CSc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1
Cc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc2OCCOc2c1
COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1
Cc1nnc2sc3c(NCc4ccc(c(F)c4)S(C)(=O)=O)nn(C)c3c2c1C
CCc1c(sc2nnc(C)c(C)c12)C(=O)NCc1ccc(OC)c(F)c1
Cc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc2OCCc2c1
Cc1nnc2sc3c(NCC4CC4)nn(C)c3c2c1C
COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2C2CC2)cc1F
COc1ccc(CNc2nn(C)c3c2sc2nnc(C)c(C)c32)cc1
Cc1nc2sc3c(NCc4ccccc4)nn(C)c3c2c(C)c1Cl
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(F)cc3)n[nH]c21
COc1ccc(CNC(=O)c2cc3c(C)c(C)nnc3s2)cc1F
Cc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Cc1cc(C)c2c(n1)sc1c(NCC3CCCC3)n[nH]c21
Cc1cc2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nccn32)cc1
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)N[C@H]1CCc2ccccc12 |r|
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1ccc(F)c(F)c1
Cc1c[nH]c(=O)c2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c12
Cc1c(Cl)c2nncn2c2sc(C(=O)NC3CC3)c(N)c12
Cc1nnc2c(Cl)c(C)c3c(N)c(sc3n12)C(=O)NC1CC1
Cc1nnc2c(Cl)c(C)c3c(N)c(sc3n12)C(=O)NC1Cc2ccccc2C1
Cc1cc2nncn2c2sc(C(=O)N[C@H]3CCc4ccccc34)c(N)c12 |r|
Cc1cc2nncn2c2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c12
Cc1cc2nncn2c2sc(C(=O)NC3CN(C3)c3ccc(F)c(F)c3)c(N)c12
Cc1cc2nccn2c2sc(C(=O)NC3CC3)c(N)c12
Cc1cc2nccn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
Cc1cn2c(cc(C)c3c(N)c(sc23)C(=O)NC2Cc3ccccc3C2)n1
Cc1cn2c(cc(C)c3c(N)c(sc23)C(=O)NC2Cc3cccnc3C2)n1
Cc1cn2c(cc(C)c3c(N)c(sc23)C(=O)N[C@H]2CCc3ccccc23)n1 |r|
COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2ncnn32)cc1
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1Cc2cccnc2C1
COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nc(C)nn32)cc1F
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cc(Cl)nc(C)n1
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cnc(nc1)C1CC1
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1nnc(o1)C1CC1
Cc1cncc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c12
Cc1c(Cl)c2nncn2c2sc(C(=O)N[C@H]3CCc4ccccc34)c(N)c12 |r|
COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nncn32)cc1
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cc(ncc1Cl)C(F)(F)F
Cc1c(Cl)c2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
Cc1cc2nncn2c2sc(C(=O)NC3CC3)c(N)c12
Cc1cc2nncn2c2sc(C(=O)NC3CN(C3)c3cccc(F)c3F)c(N)c12
Cc1cc2nccn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
Cc1cc2ncnn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nc(C)nn32)cc1
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cnc(Cl)cn1
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1nnc(o1)C(C)(C)C
Cc1cc2ncnn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1ncc(cn1)C(F)(F)F
Cc1cc2nccn2c2sc(C(=O)N[C@H]3CCc4ccccc34)c(N)c12 |r|
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1Cc2ccccc2C1
Cc1cc2nncn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CN1CCC(=CC1)c1nsnc1OCCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |c:4|
C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccc(Cl)cc3C(=O)Nc3cccnc23)CC1
CCC(=O)NCc1cc(cc(c1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc12
C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)|
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2
COc1ccc(cc1C)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1 |r|
Fc1cc(F)cc(c1)-c1nnc(Cc2nc(no2)-c2ccc3OCOc3c2)o1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)c1ccc(F)cc1F
Cc1cc(C)c2c(N)c(sc2n1)C(=O)c1ccncc1
Cc1nc2sc(C(O)c3ccccc3)c(N)c2c(C)c1Cl
Nc1c(sc2nc(OCc3ccncc3)c3CCCc3c12)C(=O)c1ccncc1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)c1ccccc1
COc1ccc(cc1)C(=O)c1sc2nnc(C)c(C)c2c1N
Cc1cc(C)c2c(N)c(sc2n1)C(O)c1ccccc1
COc1ccc(cc1)C(O)c1sc2nnc(C)c(C)c2c1N
COc1ccc(cc1)C(=O)c1sc2nc(C)cc(C)c2c1N
Cc1cc(C)c2c(N)c(sc2n1)C(=O)c1ccc(O)cc1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)c1ccc(F)c(Cl)c1
Cc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl
Cc1nnc2sc(C(=O)c3ccncc3)c(N)c2c1C
Nc1c(sc2nc(O)c3CCCCc3c12)C(=O)c1ccncc1
Nc1c(sc2nc(OCCN3CCOCC3)c3CCCc3c12)C(=O)c1ccncc1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)CCc1ccncc1
COc1ccc(CCC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
COc1ccc(cc1)C(O)c1sc2nc(C)cc(C)c2c1N
Cc1cc(C)c2c(N)c(sc2n1)C(O)c1ccc(F)c(Cl)c1
Cc1cc(C)c2c(N)c(sc2n1)C(O)c1ccc(F)cc1F
Cc1nc2sc(C(O)c3cccnc3)c(N)c2c(C)c1Cl
Cc1nnc2sc(C(O)c3ccccc3)c(N)c2c1C
Cc1nnc2sc(C(O)c3cccnc3)c(N)c2c1C
Cc1nnc2sc(C(O)c3ccncc3)c(N)c2c1C
Nc1c(sc2nc(O)c3CCCCc3c12)C(O)c1ccncc1
Cc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C
Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C
Nc1c(sc2nc(OCCN3CCOCC3)c3CCCc3c12)C(O)c1ccncc1
Cc1nnc2sc(C(O)c3ccc(F)cc3F)c(N)c2c1C
Cc1cc(C)c2c(N)c(sc2n1)C(O)c1ccncc1
Cc1nnc2sc(C(=O)c3ccc(F)cc3F)c(N)c2c1C
Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl
Nc1c(sc2nc(OCc3ccncc3)c3CCCc3c12)C(O)c1ccncc1
Cc1nnc2sc(C(=O)c3ccccc3)c(N)c2c1C
Cc1cc(C)c2c(N)c(sc2n1)C(O)c1ccc(O)cc1
CN(C)c1ccc(C=CC=Cc2cc(C)[n+](CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)c(C)c2)cc1
C[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
CC1(C)C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)c2ccccc12
CN(C)c1ccc(C=CC=Cc2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1
C[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
CC1(C)C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccccc12
CC1(C)C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccc(cc12)S(O)(=O)=O
CC1(C)C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O
CC1(C)C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O
CC1(C)C(=C/C=C/C=C/C2=[N+](CCCCS(O)(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)C(=O)NCCN2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccc(cc12)S([O-])(=O)=O
NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
Cc1nc2cc(ccc2s1)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cc1nnc2ccc(cn12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cc1nc2ncc(cn2c1C)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cc1nn(C)c2ccc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cc1nc2ccc(cc2n1C)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cn1c(nc2ccc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl)C(F)(F)F
Cc1n(C)nc2cc(ccc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cc1nn(C)c2cnc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cc1n(C)nc2cnc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cc1nc2ccc(cn2c1C)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cc1nc2cnc(cn2c1C)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cc1n(C)nc2ccc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cc1n(C)nc2cc(F)c(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cc1n(C)nc2c(F)c(F)c(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
CCc1n(C)nc2ccc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Cn1nnc2ccc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
COc1cc(N2CC(C2)NC(=O)c2ccc3nnc(C)n3c2)c(Cl)cn1
COc1cc(N2CC(C2)NC(=O)c2cnc3nc(C)c(C)n3c2)c(Cl)cn1
COc1cc(N2CC(C2)NC(=O)c2ccc3nc(C)n(C)c3c2)c(Cl)cn1
COc1cc(N2CC(C2)NC(=O)c2ccc3nc(n(C)c3c2)C(F)(F)F)c(Cl)cn1
COc1cc(N2CC(C2)NC(=O)c2ccc3c(C)n(C)nc3c2)c(Cl)cn1
COc1cc(N2CC(C2)NC(=O)c2cc3c(C)nn(C)c3cn2)c(Cl)cn1
COc1cc(N2CC(C2)NC(=O)c2cc3c(C)n(C)nc3cn2)c(Cl)cn1
COc1cc(N2CC(C2)NC(=O)c2ccc3nc(C)c(C)n3c2)c(Cl)cn1
COc1cc(N2CC(C2)NC(=O)c2cn3c(C)c(C)nc3cn2)c(Cl)cn1
Cc1n(C)nc2ccc3c(NC4CN(C4)c4cc(Cl)ncc4Cl)ncnc3c12
COc1cc(N2CC(C2)Nc2ncnc3c4c(C)n(C)nc4ccc23)c(Cl)cn1
Cc1n(C)nc2ccc3c(NCc4ccc(cc4)C(=O)NC4CCCC4)ncnc3c12
Cc1n(C)nc2ccc3c(NCc4ccc(cc4)C(=O)NC4CCC4)ncnc3c12
COc1ccc(CNc2ncnc3c4c(C)n(C)nc4ccc23)cc1F
Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3cc(Cl)ncc3Cl)c(N)c12
Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3ccc(nc3)C(F)(F)F)c(N)c12
COc1cc(N2CC(C2)NC(=O)c2ccc3nn(C)c(C)c3c2N)c(Cl)cn1
Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3ncc(cc3Cl)C#N)c(N)c12
Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3ncc(Cl)cc3F)c(N)c12
Cn1nnc2ccc3c(NC4CN(C4)c4cc(Cl)ncc4Cl)ncnc3c12
COc1ccc(CNc2ncnc3c4n(C)nnc4ccc23)cc1F
Cn1nnc2ccc3c(NCc4ccc(cc4)C(C)(C)O)ncnc3c12
Cn1nnc2ccc3c(NC4CCCC4)ncnc3c12
COc1cc(N2CC(C2)Nc2ncnc3c4n(C)nnc4ccc23)c(Cl)cn1
Cn1nnc2ccc(C(=O)NC3CN(C3)c3cc(Cl)ncc3Cl)c(N)c12
Cn1nnc2ccc(C(=O)NC3CN(C3)c3ncc(Cl)cc3F)c(N)c12
COc1cc(N2CC(C2)NC(=O)c2ccc3nnn(C)c3c2N)c(Cl)cn1
Cn1nnc2ccc(C(=O)NC3CN(C3)c3ncc(cc3Cl)C#N)c(N)c12
Cn1nnc2ccc(C(=O)NC3CN(C3)c3ccnc(c3)C(F)(F)F)c(N)c12
Cn1nnc2ccc(C(=O)NC3CN(C3)c3ccc(cn3)C#N)c(N)c12
Cn1nnc2ccc(C(=O)NC3CN(C3)c3ccc(F)c(F)c3)c(N)c12
Cn1nnc2ccc(C(=O)NC3CN(C3)c3ncc(F)cc3Cl)c(N)c12
Cn1nnc2ccc(C(=O)NC3CN(C3)c3cccc(Cl)n3)c(N)c12
Cc1n(C)nc2ccc3c(NCc4ccc(cc4)C(=O)NCC(C)(C)C)ncnc3c12
[2H]C([2H])(Nc1ncnc2c3c(C)n(C)nc3ccc12)c1ccc(cc1)C(C)(C)O
Cc1n(C)nc2ccc3c(NCc4ccc(cc4)C(C)(C)O)ncnc3c12
Cc1n(C)nc2ccc3c(ncnc3c12)N1CC2(COC2)C1
Cc1n(C)nc2ccc3c(CC(C)(C)C)ncnc3c12
Cc1n(C)nc2ccc3c(NC4CCCC4)ncnc3c12
Cc1n(C)nc2ccc3c(ncnc3c12)N1CCCC1
Cc1n(C)nc2ccc3c(NCc4ccc(F)c(F)c4)ncnc3c12
Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3ccc(F)c(F)c3)c(N)c12
Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3cccc(Cl)n3)c(N)c12
Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3ncccc3F)c(N)c12
Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3ncc(F)cn3)c(N)c12
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
C[N+](C)(C)C[C@@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1
C[N+](C)(C)CC1COCC(O1)(C1CCCCC1)c1ccccc1
C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccc(cc1)-c1ccccc1
C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccc(cc1)-c1ccccc1
C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccc(Sc2ccccc2)cc1
C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccc(Sc2ccccc2)cc1
C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccc(cc1)[S+]([O-])c1ccccc1
C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccc(cc1)[S+]([O-])c1ccccc1
C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccc(cc1)S(=O)(=O)c1ccccc1
C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccc(cc1)S(=O)(=O)c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccccc1
C[N+](C)(C)C[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@](CO1)(C1CCCCC1)c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@@](CO1)(C1CCCCC1)c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)C(c1ccccc1)c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@H](CO1)C(c1ccccc1)c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(cc1)-c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(cc1)-c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(Cc2ccccc2)cc1
C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(Cc2ccccc2)cc1
C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(Sc2ccccc2)cc1
C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(Sc2ccccc2)cc1
C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(cc1)[S+]([O-])c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(cc1)[S+]([O-])c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(cc1)S(=O)(=O)c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(cc1)S(=O)(=O)c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@H]([C@@H](O1)c1ccccc1)c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@@H]([C@H](O1)c1ccccc1)c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@H]([C@H](O1)c1ccccc1)c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(O1)(c1ccccc1)c1ccccc1
C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(O1)(c1ccccc1)c1ccccc1
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1)[N+]21CCCC1
C[N+](C)(C)C[C@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1
CN(C)CC1COCC(O1)(C1CCCCC1)c1ccccc1
CN(C)C[C@@H]1COC[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
CN(C)C[C@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1 |r|
C[N+](C)(C)C[C@@H]1COC[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
Cc1nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c2c1C
Cc1c(Cl)nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
Cc1cnnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
COc1nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c2c1C
Cc1c(O)nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3cccnc3)c(N)c12
Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3cc(ncc3Cl)C(F)(F)F)c(N)c12
Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3cc(Cl)ncc3Cl)c(N)c12
Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3ncncc3C#N)c(N)c12
COc1cc(N2CC(C2)NC(=O)c2sc3nnc(Cl)c(C)c3c2N)c(Cl)cn1
Cc1cc(ncc1N1CC(C1)NC(=O)c1sc2nnc(Cl)c(C)c2c1N)C1CC1
Cc1nc(Cl)c(C)c(n1)N1CC(C1)NC(=O)c1sc2nnc(Cl)c(C)c2c1N
Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3ccnc(F)c3Cl)c(N)c12
Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3cnc(Cl)cn3)c(N)c12
Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3ccc(nn3)C3CC3)c(N)c12
CC(C)Cc1nnc(o1)N1CC(C1)NC(=O)c1sc2nnc(Cl)c(C)c2c1N
Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c12
Cc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
Cc1c(O)nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c12
Cc1c(CO)nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c12
Cc1c(CF)nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c12
Cc1c(nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c12)C(F)F
CN(C)Cc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
COc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
COCCOc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
CCc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
CC(C)c1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
Fc1cccc(CNC(=O)CCN2CCCc3ccccc23)c1
Cn1ccc(NC(=O)CCN2CCCc3ccccc23)n1
O=C(CCN1CCCc2ccccc12)NCc1cccs1
O=C(CCN1CCCc2ccccc12)NCc1ccco1
O=C(CCN1CCCc2ccccc12)Nc1cccc2cccnc12
Cn1ccc2c(NC(=O)CCN3CCCc4ccccc34)cccc12
O=C(CCN1CCCc2ccccc12)Nc1cccnn1
O=C(CCN1CCCc2ccccc12)Nc1cccc2ccccc12
Clc1ccc(NC(=O)CCN2CCCc3ccccc23)cc1
O=C(CCN1CCCc2ccccc12)Nc1nccs1
O=C(CCN1CCCc2ccccc12)NC1CCCC1
O=C(CCN1CCCc2ccccc12)NC1CCCCC1
O=C(CCN1CCCc2ccccc12)Nc1ccccc1
O=C(CCN1CCCc2ccccc12)N1CCCC1
CC1CCN(CC1)C(=O)CCN1CCCc2ccccc12
CC1CCCN(C1)C(=O)CCN1CCCc2ccccc12
COC1CN(C1)C(=O)CCN1CCCc2ccccc12
O=C(CCN1CCCc2ccccc12)N1CCC1
OC[C@@H]1CCCN1C(=O)CCN1CCCc2ccccc12 |r|
OCC1CCCN1C(=O)CCN1CCCc2ccccc12
OC1CCN(C1)C(=O)CCN1CCCc2ccccc12
OC(=O)C1CCCN1C(=O)CCN1CCCc2ccccc12
Oc1ccc(NC(=O)CCN2CCCc3ccccc23)c(F)c1
OCC1CCCN(C1)C(=O)CCN1CCCc2ccccc12
OCC1CCCCN1C(=O)CCN1CCCc2ccccc12
OC1CCN(CC1)C(=O)CCN1CCCc2ccccc12
OC1CCCN(C1)C(=O)CCN1CCCc2ccccc12
CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc12
C[C@H]1CCC[C@@H](C)N1C(=O)CCN1CCCc2ccccc12 |r|
CC1CCCCN1C(=O)CCN1CCCc2ccccc12
O=C(CN1CCCc2cnccc12)N1CCCC1
Fc1ccc2CCN(CC(=O)N3CCCC3)c2c1
O=C(CN1CCCc2ccccc12)N1CCCC1
CC1CCc2ccccc2N1CC(=O)N1CCCC1
CC1Cc2ccccc2N1CC(=O)N1CCCC1
Cc1ccc2N(CC(=O)N3CCCCC3)CCCc2c1
O=C(CN1CCCc2cnccc12)N1CCCCC1
CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc12
O=C(CN1CCCc2ccccc12)N1CCCCC1
CC1CCc2ccccc2N1CC(=O)N1CCCCC1
Oc1ccc2CCCN(CC(=O)N3CCCCC3)c2c1
CC1Cc2ccccc2N1CC(=O)N1CCCCC1
Brc1ccc2CCN(CC(=O)N3CCCCC3)c2c1
CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc23)CC1
CC1CCCCN1CC(=O)n1c2ccccc2c2ccccc12
O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20|
CN1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4
C[C@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C |r|
C[C@@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C |r|
C[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c3ccc(cc3oc2c1)=[N+](C)C
Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
CN(C)c1ccc(C=CC=Cc2cc(C)[n+](CCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)cn3)c(C)c2)cc1
Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(C=Cc3ccc(OCC(=O)NCCCCCC(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc67)CC5)cn4)cc3)=[N+]12
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)cn3)c3ccc(cc3oc2c1)=[N+](C)C
CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1
CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
Nc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)S(=O)(=O)c2cccc(Cl)c2)CC1
NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
CC(=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
C[C@H](NC(=O)CNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
C[C@H](NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(N)=N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(N)=N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
N[C@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
C[C@H](NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
C[C@H](NC(=O)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(N)=N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
N[C@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
NC(=N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(O)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O
CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O
CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
C[C@H](NC(=O)CNCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
C[C@H](NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O
CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@@H](CCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O
C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O
NC(=N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
NC(=N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(O)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@H](CCNC(N)=N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
C[C@H](NC(=O)CNCCN1CCN(CC1)C(=O)CC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CC1)C(=O)CC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CC1)C(=O)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O
CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O
C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O
CC(=O)NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H]1CC(=O)NCCC[C@H](N1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
CC(=O)NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H]1CC(=O)NCCC[C@H](N1)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:4,t:8|
CCN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:5,t:9|
CC(C)N1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:6,t:10|
CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |c:4,t:8|
CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(F)cc12 |c:4,t:8|
CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(C)cc12 |c:4,t:8|
CCc1ccc2Nc3ccc(C)cc3N=C(C3=CCN(C)CC3)c2c1 |t:15,17|
COc1ccc2Nc3ccc(C)cc3N=C(C3=CCN(C)CC3)c2c1 |t:15,17|
CN1CCC(=CC1)C1=Nc2cc(F)ccc2Nc2ccc(Cl)cc12 |c:4,t:8|
Fc1ccc2Nc3ccc(Cl)cc3N=C(C3=CCNCC3)c2c1 |t:14,16|
Cc1ccc2Nc3ccc(F)cc3C(=Nc2c1)C1=CCNCC1 |c:14,t:20|
C(CC1CCN(Cc2ccccc2)CC1)Nc1cc2CCCCc3ccccc3-c2nn1
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc2nn(C)cc2c1 |r|
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r|
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1 |r|
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccnc1 |r|
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(NC(C)=O)cc1 |r|
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc2C(=O)N(C)Cc2c1 |r|
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1F |r|
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccc(F)c1 |r|
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(F)cc1 |r|
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1F |r|
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(OC(F)F)cc3)ncnc21
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(nc3)-n3ccnc3)ncnc21
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(CN4CCOCC4)cc3)ncnc21
Cc1cc(C)c2c(n1)sc1c(NCc3ccc4CCCc4n3)ncnc21
Cc1cc(C)c2c(n1)sc1c(NCc3ccc4COCc4c3)ncnc21
Cc1cc(C)c2c(n1)sc1c(NCc3ncc(F)cn3)ncnc21
Cc1cc(C)c2c(n1)sc1c(NCc3cnc(C)nc3)ncnc21
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(cc3)C(C)(C)O)ncnc21
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(cc3F)C(C)(C)O)ncnc21
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(cc3)S(C)(=O)=O)ncnc21
Cc1cc(C)c2c(n1)sc1c(NC3CN(C3)c3ncc(cn3)C(F)(F)F)ncnc21
Cc1cc(C)c2c(n1)sc1c(NC3CC(C3)c3ccncc3)ncnc21 |(25,-7.7,;26.33,-6.93,;26.33,-5.39,;27.66,-4.62,;27.66,-3.08,;29,-5.38,;29,-6.93,;27.66,-7.7,;30.47,-7.41,;31.38,-6.16,;32.92,-6,;33.82,-7.25,;35.35,-7.09,;36.54,-8.07,;37.52,-6.87,;36.32,-5.9,;39.04,-6.72,;39.94,-7.97,;41.47,-7.81,;41.93,-6.43,;41.19,-5.15,;39.67,-5.32,;33.55,-4.59,;32.63,-3.33,;31.1,-3.5,;30.47,-4.9,)|
COc1ccc(cc1)C1CC1Nc1ncnc2c1sc1nc(C)cc(C)c21
Cc1cc(C)c2c(n1)sc1c(OCc3ccc(cc3)C(C)(C)O)ncnc21
COCC1CN(C1)c1ncnc2c1sc1nc(C)cc(C)c21
Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CC(F)(F)C1
Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CC2CC2C1
Cc1cc(C)c2c(n1)sc1c(NC3CCC3)ncnc21
Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CCCC1
Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CCC1
Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CC2(COC2)C1
Cc1cc(C)c2c(n1)sc1c(ncnc21)C1CCCCC1
Cc1cc(C)c2c(n1)sc1c(ncnc21)C1CC1
Cc1cc(C)c2c(n1)sc1c(C)ncnc21
Cc1cc(C)c2c(n1)sc1c(ncnc21)C1CCOCC1
Cc1cc(C)c2c(n1)sc1c(ncnc21)C1CCNCC1
Cc1cc(C)c2c(n1)sc1c(ncnc21)C1CCN(CC1)C(=O)C1CC1
Cc1cc(C)c2c(n1)sc1c(ncnc21)C1CCN(CC1)C(=O)C1(C)CC1
Cc1cc(C)c2c(n1)sc1c(ncnc21)-c1nccs1
COc1ccc(CNc2nccc3c2sc2nc(C)cc(C)c32)cc1F
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(cc3)C(C)(C)O)nccc21
Cc1cc(C)c2c(n1)sc1c(NC3CN(C3)c3ncc(cn3)C(F)(F)F)nccc21
Cc1cc(C)c2c(n1)sc1c(nccc21)N1CCCC1
CN(C)c1nccc2c1sc1nc(C)cc(C)c21
Cc1cc(C)c2c(n1)sc1c(NC3CCCC3)nccc21
Cc1cc(C)c2c(n1)sc1c(NC3CCC3)nccc21
Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
Fc1ccc(Cl)c(c1)-c1ccc(NC[C@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
C(Nc1ccc(nn1)-c1ccccc1)[C@@H]1CC11CCN(CC2CCOCC2)CC1 |r|
Fc1ccccc1-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
Fc1cccc(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
Fc1ccc(cc1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
Fc1ccc(F)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
Fc1cc(F)c(F)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
Cn1cc2cc(ccc2n1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
CC(=O)Nc1ccc(cc1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
Fc1ccc(Cl)c(c1)-c1ccc(NC2CC3(C2)CN(CC2CCOCC2)C3)nn1
Fc1ccc(Cl)c(c1)-c1ccc(NC2CC22CCN(CC3CCOCC3)CC2)nn1
Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC22CCN(CC3CCCCC3)CC2)nn1
CCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CCCCCNC(=O)N=C(/N)NCCCc1nnc(N)s1
NC(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
C[C@@H](NC(=O)N=C(/N)NCCCc1ncn[nH]1)c1ccccc1
Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r|
C[C@H](N(C)C(=O)c1cc(COc2cccc(c2)C(C)=O)on1)c1ccccn1
Cc1cc(ccc1Cl)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r|
COc1cc2ccc(cc2nn1)-c1nc(C)ccc1-c1cnn(CC2(F)CCCC2)c1
C[C@H]1CN(C[C@@H]1C(=O)Nc1ccc2scnc2c1)S(=O)(=O)c1ccc2OCCc2c1 |r|
CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)N(CCCCS(O)(=O)=O)c2ccccc12 |c:9|
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCN5CCC(CC5)OC(=O)Nc5ccc(F)cc5-c5ccc(F)c(Cl)c5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(17.61,12.58,;17.61,11.04,;18.94,10.27,;16.28,10.27,;16.28,8.74,;14.95,7.96,;13.61,8.73,;12.28,7.96,;12.28,6.42,;10.94,5.65,;10.94,4.12,;12.28,3.35,;13.61,4.12,;13.61,5.66,;15.15,5.66,;15.92,6.99,;15.92,4.32,;12.28,1.81,;11.13,.78,;11.76,-.63,;10.99,-1.96,;9.45,-1.96,;8.68,-3.3,;7.14,-3.3,;6.37,-4.63,;4.83,-4.63,;3.8,-3.49,;2.39,-4.11,;1.06,-3.34,;-.28,-4.11,;-1.61,-3.34,;-2.94,-4.11,;-4.28,-3.34,;-5.61,-4.11,;-6.94,-3.34,;-8.28,-4.11,;-8.28,-5.65,;-6.94,-6.42,;-5.61,-5.65,;-9.61,-6.42,;-10.95,-5.65,;-10.95,-4.11,;-12.28,-6.42,;-12.28,-7.96,;-10.95,-8.73,;-10.95,-10.27,;-12.28,-11.04,;-12.28,-12.58,;-13.61,-10.28,;-13.61,-8.73,;-14.95,-7.96,;-16.28,-8.73,;-17.61,-7.96,;-17.61,-6.42,;-18.94,-5.65,;-16.28,-5.66,;-16.28,-4.12,;-14.95,-6.42,;2.55,-5.64,;4.06,-5.96,;13.29,-.47,;13.61,1.04,;10.94,8.73,;9.61,7.96,;8.28,8.73,;8.28,10.27,;9.61,11.04,;10.94,10.27,;12.28,11.04,;13.61,10.27,;14.94,11.04,;6.94,11.04,;5.61,10.27,;6.94,12.58,)|
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCCN5CCC(CC5)OC(=O)Nc5ccc(F)cc5-c5ccc(F)c(Cl)c5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(16.94,9.27,;16.94,7.73,;18.27,6.96,;15.6,6.96,;15.61,5.43,;14.28,4.65,;12.94,5.42,;11.6,4.65,;11.6,3.11,;10.27,2.34,;10.27,.81,;11.6,.04,;12.94,.81,;12.93,2.35,;14.47,2.35,;15.24,3.68,;15.24,1.02,;11.6,-1.5,;10.46,-2.53,;11.08,-3.94,;10.31,-5.27,;8.77,-5.27,;8,-6.61,;6.46,-6.61,;5.69,-7.94,;4.15,-7.94,;3.12,-6.8,;1.72,-7.42,;.38,-6.65,;-.95,-7.42,;-2.28,-6.65,;-3.62,-7.42,;-4.95,-6.65,;-6.28,-7.42,;-7.62,-6.65,;-7.6,-5.11,;-8.93,-4.33,;-10.27,-5.09,;-10.29,-6.63,;-8.96,-7.41,;-11.6,-4.31,;-11.59,-2.77,;-10.25,-2.01,;-12.91,-1.99,;-14.25,-2.75,;-14.27,-4.28,;-15.61,-5.04,;-16.93,-4.26,;-18.27,-5.02,;-16.93,-2.73,;-15.58,-1.96,;-15.57,-.42,;-16.89,.36,;-16.88,1.89,;-15.54,2.65,;-15.53,4.19,;-14.22,1.88,;-12.88,2.64,;-14.22,.34,;1.88,-8.95,;3.38,-9.27,;12.62,-3.78,;12.94,-2.27,;10.27,5.42,;8.94,4.65,;7.6,5.42,;7.6,6.96,;8.94,7.73,;10.27,6.96,;11.6,7.73,;12.94,6.96,;14.27,7.73,;6.27,7.73,;4.94,6.96,;6.27,9.27,)|
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(20.48,-6.06,;19.16,-6.85,;19.18,-8.39,;17.81,-6.1,;16.5,-6.89,;15.15,-6.15,;15.12,-4.61,;13.78,-3.86,;12.45,-4.65,;11.11,-3.91,;9.79,-4.69,;9.82,-6.23,;11.17,-6.98,;12.48,-6.18,;13.28,-7.51,;14.82,-7.48,;12.53,-8.85,;8.5,-7.03,;7.02,-6.58,;6.14,-7.84,;4.6,-7.86,;3.81,-6.54,;2.27,-6.57,;1.48,-5.25,;-.06,-5.27,;-.86,-3.95,;-.41,-2.48,;-1.67,-1.6,;-1.69,-.06,;-3.04,.69,;-3.07,2.23,;-4.41,2.97,;-4.44,4.51,;-5.79,5.26,;-5.81,6.8,;-7.16,7.55,;-8.48,6.76,;-9.81,7.53,;-11.15,6.76,;-12.48,7.53,;-12.48,9.07,;-13.81,6.76,;-13.81,5.22,;-12.49,4.45,;-12.49,2.91,;-13.81,2.14,;-13.81,.6,;-15.15,2.9,;-15.15,4.45,;-16.48,5.22,;-17.82,4.45,;-19.14,5.22,;-19.14,6.76,;-20.48,7.53,;-17.82,7.53,;-17.82,9.07,;-16.48,6.76,;-8.45,5.22,;-7.11,4.47,;-2.9,-2.52,;-2.4,-3.98,;7.07,-9.07,;8.52,-8.57,;13.75,-2.32,;12.4,-1.57,;12.38,-.03,;13.7,.76,;15.04,.01,;15.07,-1.53,;16.42,-2.28,;16.44,-3.81,;17.78,-4.56,;13.67,2.3,;12.32,3.05,;14.99,3.09,)|
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(18.94,10.27,;18.94,8.73,;20.27,7.96,;17.6,7.96,;17.61,6.42,;16.28,5.65,;14.94,6.42,;13.61,5.65,;13.61,4.11,;12.27,3.34,;12.27,1.8,;13.6,1.03,;14.94,1.81,;14.93,3.35,;16.47,3.35,;17.24,4.68,;17.24,2.01,;13.6,-.51,;12.46,-1.54,;13.09,-2.94,;12.32,-4.28,;10.78,-4.28,;10.01,-5.61,;8.47,-5.61,;7.7,-6.94,;6.16,-6.94,;5.13,-5.8,;3.72,-6.43,;2.39,-5.66,;1.05,-6.43,;-.28,-5.66,;-1.61,-6.43,;-2.95,-5.66,;-4.28,-6.43,;-5.62,-5.66,;-5.6,-4.12,;-6.93,-3.33,;-8.27,-4.09,;-9.61,-3.33,;-10.94,-4.1,;-12.27,-3.34,;-12.28,-1.8,;-13.6,-4.11,;-13.6,-5.65,;-12.27,-6.42,;-12.26,-7.96,;-13.59,-8.73,;-13.58,-10.27,;-14.93,-7.97,;-14.93,-6.43,;-16.27,-5.66,;-17.6,-6.44,;-18.93,-5.67,;-18.94,-4.13,;-20.27,-3.37,;-17.61,-3.36,;-17.62,-1.82,;-16.27,-4.11,;-8.28,-5.63,;-6.96,-6.41,;3.88,-7.96,;5.39,-8.28,;14.62,-2.78,;14.94,-1.28,;12.27,6.42,;10.94,5.65,;9.6,6.42,;9.61,7.96,;10.94,8.73,;12.27,7.96,;13.61,8.73,;14.94,7.96,;16.27,8.73,;8.27,8.73,;6.94,7.96,;8.27,10.27,)|
CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCNCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
Cc1nnc2sc(C(=O)NCc3ccc(O)cc3)c(N)c2c1C
COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1
COc1cc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
COc1c(F)cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1F
COc1cc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1
COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cn1
COc1ncc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
Cc1nnc2sc(C(=O)NCc3ccc(O)c(F)c3)c(N)c2c1C
COc1ccc(cc1F)[C@@H](C)NC(=O)c1sc2nnc(C)c(C)c2c1N |r|
COc1ccc(cc1F)[C@H](C)NC(=O)c1sc2nnc(C)c(C)c2c1N |r|
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12
CN1C2CCCC1CC(C2)Nc1ccccc1Br |TLB:0:1:7.9.8:3.5.4,10:8:1:3.5.4|
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(C(F)(F)F)cc1)NC2(C)C
CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(C(C)C)cc1)NC2(C)C
Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1
CN1CCC(Oc2nc3ccccc3n2-c2ccccc2)CC1
CN1CCCC(Oc2nc3ccccc3n2-c2ccccc2)C1
CN1CCC(Oc2nc3ccccc3n2-c2ccccc2)C1
CN1CC(Oc2nc3ccccc3n2-c2ccccc2)C1
c1ccc(-n2c(O[C@H]3CN4CCC3CC4)nc3ccccc32)cc1
CN1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3ccccc3n1-c1ccccc1)C2
CN1[C@@H]2CC[C@H]1C[C@H](Oc1nc3ccccc3n1-c1ccccc1)C2
CN1[C@@H]2C[C@@H](Oc3nc4ccccc4n3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12
CN1CCC(OC(=O)N(c2ccccc2)c2ccccc2)CC1
CN1CCCC(OC(=O)N(c2ccccc2)c2ccccc2)C1
CN1CCC(OC(=O)N(c2ccccc2)c2ccccc2)C1
CN1CC(OC(=O)N(c2ccccc2)c2ccccc2)C1
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)N(c1ccccc1)c1ccccc1)C2
CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)N(c1ccccc1)c1ccccc1)C2
CN1[C@@H]2C[C@@H]3C[C@H]1C(O3)C2OC(=O)N(c1ccccc1)c1ccccc1
CN1CCN(Cc2nc3cccnc3n2-c2ccccc2C(=O)O)CC1
c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)N4CCCC4)C(=O)N5CCC(CC5)N6CCCC6