1434 SMILES Strings for Muscarinic acetylcholine receptor M5

Compound Name
SMILES String
COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
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
OC(C#CCN1CCCCC1)(C1CCCCC1)c1ccccc1
C[N+]1(C)CCC(CC1)OC(=O)C(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
COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
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
CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
O[Si](CCCN1CCCCC1)(C1CCCCC1)c1ccccc1
OC(CCCN1CCCCC1)(C1CCCCC1)c1ccccc1
C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1
C[N+]1([SiH3])CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1
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
CN(C)CCOC(c1ccccc1)c1ccccc1C
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
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
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
CC(C)[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)C
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
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O
[O-]C(=O)c1ccccc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)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
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)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)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
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
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)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)c1cc(F)c(OC(F)(F)F)c(F)c1
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(c1)C#N
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
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(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)c1nc(Cl)cc(n1)C#N
C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nccc(n1)C(F)(F)F
COc1nc(ncc1C#N)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(Cl)cn1
C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N
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
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
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(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(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(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(Cc2cccc(c2)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(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(Cc2ccc3[nH]ccc3c2)CC1)c1cnc(nc1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
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
FC(F)(F)c1ccc(cc1)C1CCN(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
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
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
Fc1ccc(cc1C#N)N1CCC(CC1)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
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
Fc1cc(cc(F)c1F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc(cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
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
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
Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1(O)CCN(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)-c1ccc(F)cc1F)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(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
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(CC[Si](C)(C)C)CC1)c1ncc(cn1)C#N
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)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)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)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
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)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)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)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)c1cnc(cn1)C(F)(F)F
C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C(F)(F)F
COc1cc(CC(C)N)c(OC)cc1Br
CC(N)Cc1ccc2OCOc2c1
CNC(C)Cc1ccc2c(c1)OCO2
COc1cc(cc(c1OC)OC)CCN
COc1cc(CCN)c(OC)cc1Br
CN(C)CCc1c[nH]c2c1cccc2
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
COc1cc(CC(C)N)c(OC)cc1C
COc1cc(CC(C)N)cc(OC)c1OC
CCc1cc(OC)c(CC(C)N)cc1OC
COc1cc(OC)c(OC)cc1CC(C)N
COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r|
CNCC1NCC(c2ccccc2)c2ccccc12
CN1CCN2CC(c3ccccc3)c3ccccc3C2C1
CCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
CN1CCN2CC(c3ccc(Cl)cc3)c3ccccc3C2C1
CN1CCN2CC(c3ccc(N)cc3)c3ccccc3C2C1
C(N1CCN2CC(c3ccccc3)c3ccccc3C2C1)c1ccccc1
CCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
C(Cc1ccccc1)N1CCN2CC(c3ccccc3)c3ccccc3C2C1
CCNCC1NCC(c2ccccc2)c2ccccc12
CCCCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
CN1CCN2CC(c3ccc(O)cc3)c3ccccc3C2C1
CN(C)CC1NCC(c2ccccc2)c2ccccc12
CN1CCN2CC(c3ccc(cc3)[N+]([O-])=O)c3ccc(cc3C2C1)[N+]([O-])=O
CN1CCN2CC(c3ccc(cc3)[N+]([O-])=O)c3ccccc3C2C1
COc1ccc(cc1)C1CN2CCN(C)CC2c2ccccc12
C1CN2CC(c3ccccc3)c3ccccc3C2CN1
CCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
C#CCOc1noc2CCCNCc12
C[N+](C)(C)CCOC(=O)N
COc1noc2CCCNCc12
O=C1CCCN1CC#CCN1CCCC1
COC(=O)C1=CCCN(C)C1 |t:4|
CCOc1noc2CCCNCc12
CC(C)Oc1noc2CCCNCc12
[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|
[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|
Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O
Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
C1Cc2ccc3nsnc3c2CN1
CSc1nsnc1C1=C(C)CCN(C)C1 |c:8|
CSc1nsnc1C1=CCCN(C)C1 |t:8|
CN1CCC2=C(C1)c1nsnc1SC2 |c:4|
COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)C1CCN(CC1)C1CCCCC1
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccccc1CN1CCC(CC1)C1CCN(CCCCCCCCN2CCC(CC2)C2CCN(Cc3ccccc3OC)CC2)CC1
COc1ccccc1CN1CCC(CC1)C1CCN(CC1)C(=O)CCCCCCC(=O)N1CCC(CC1)C1CCN(Cc2ccccc2OC)CC1
Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13|
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
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
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(OC)cc1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc(OC)c1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(OC)c(OC)c1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc2OCCOc12
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)s1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cccnc2c1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2occc2c1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2nsnc2c1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1
CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(OC)cc1 |r|
CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2occc2c1 |r|
CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1 |r|
CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1 |r|
CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1 |r|
CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1 |r|
CCN(Cc1ccc(F)cc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
CCN(Cc1cccc(F)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
CCN(Cc1ccccc1F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
CCN(Cc1cccc(OC)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
CCN(Cc1cccc(C)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
CCN(Cc1ccccc1C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
CCN(Cc1ccccc1OC)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
CCN(Cc1ccccc1Cl)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
CCN(Cc1cccc(c1)C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
CCN(Cc1ccccc1Cl)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
FC(F)(F)c1ccccc1CN(CC=C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
CC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
FC(F)(F)c1ccccc1CN(C1CCC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
OCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
FCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
CCC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
FC(F)(F)c1ccccc1CN(CC1CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
FC(F)(F)c1ccccc1CN(CC1CCC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1OC
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1c[nH]cn1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1c(C)noc1C
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(nc1)C(F)(F)F
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccncc1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccnc1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccccn1
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc2nsnc12
Fc1cccc(\C=N\N=C\c2cccc(F)c2)c1
O[C@H]1C[C@H](C1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r,wD:3.5,1.0,(35.3,-13.38,;33.97,-14.16,;32.48,-13.77,;32.09,-15.25,;33.58,-15.65,;30.76,-16.03,;29.43,-15.26,;29.42,-13.72,;28.1,-16.04,;26.76,-15.28,;25.43,-16.05,;25.43,-17.59,;26.76,-18.36,;28.1,-17.59,;24.09,-18.36,;22.76,-19.13,;21.43,-19.9,;21.43,-21.43,;20.1,-22.2,;18.76,-21.43,;18.76,-19.89,;17.43,-19.12,;20.09,-19.12,)|
COc1cccc(\C=N\N=C\c2cccc(OC)c2)c1
Clc1cccc(\C=N\N=C\c2cccc(Cl)c2)c1
O[C@H]1C[C@@H](C1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r,wU:1.0,wD:3.5,(42.58,-27.98,;41.21,-28.69,;40.69,-30.14,;39.24,-29.61,;39.76,-28.17,;37.97,-30.49,;36.64,-29.72,;36.63,-28.18,;35.3,-30.5,;33.97,-29.73,;32.64,-30.5,;32.64,-32.05,;33.97,-32.82,;35.31,-32.05,;31.3,-32.82,;29.97,-33.59,;28.64,-34.36,;28.64,-35.89,;27.31,-36.66,;25.97,-35.89,;25.97,-34.35,;24.64,-33.58,;27.3,-33.58,)|
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|
CCOC(=O)C1CN2CCCC(C2)C1=O |TLB:3:5:12:8.10.9,THB:14:13:12:8.10.9|
OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
CN1CCC=C(C1)c1nsnc1OCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:31|
O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc34)CC2)CC1
CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O
CN1CCC=C(C1)c1nsnc1OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
CN1CCC=C(C1)c1nsnc1OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(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|
COc1cc(ccc1F)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
COc1ccc(cc1C)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
COc1ccc(cc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
COc1ccc(cc1F)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc2OCOc2c1
CC(C)Oc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
CCOc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccncc1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1cccnc1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccccn1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12C1CCOCC1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12C1CC1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12C1CCC1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12C1CCCC1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12C1CCCCC1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Oc2ccccc2)cc1
COc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
COc1cccc(c1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
COc1ccccc1C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
Fc1cc(cc(F)n1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
Clc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccnnc1
Fc1cc(ccn1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
Fc1ccc(cn1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
CN(C)c1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
Fc1cc(cc(F)c1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
CC(C)Oc1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
CCOc1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
COc1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
COc1cccc(c1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
COc1ccccc1C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
COc1ccc(cc1C)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1 |r|
COc1ccc(cc1C)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
COc1cc(ccc1C)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
COc1cc(ccc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
COc1cc(ccc1F)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
COc1ccc(cc1C)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
COc1ccc(cc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
COc1ccc(cc1F)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
CC(C)Oc1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc2OCOc2c1
CC(C)Oc1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(OC(C)C)cc1
CCOc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
COc1cc(ccc1C)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
COc1cc(ccc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
COc1cc(ccc1F)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
COc1ccc(cc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
COc1ccc(cc1F)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
Fc1cc(cc(F)c1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc2OCOc2c1
CC(C)Oc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
CCOc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
COc1cc(ccc1C)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
COc1cc(ccc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
[I-].C[C@@]1(C[N+](C)(C)C)COCCO1 |r|
[I-].C[C@@H]1OCCO[C@@H]1C[N+](C)(C)C |r|
[I-].C[C@H]1OCCO[C@@H]1C[N+](C)(C)C |r|
[I-].C[N+](C)(C)C[C@@H]1COCCO1 |r|
C[C@H]1OC[C@@H](C[N+](C)(C)C)O1
C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
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
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)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
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
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(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC1)C1CCCC1
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(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(CC2CCC2)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(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CC2)CC1
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
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(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)NCCC1CCNCC1
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(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
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(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=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)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(CC2CCCC2)CC1
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
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,)|
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,)|
O[C@@H](CNCCc1ccc(CCN2CCC(Cn3cnc(n3)[C@@](O)(C3CCCCC3)c3ccccc3)CC2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
COc1ccc(CCOC(=O)C2(CCN(C)CC2)c2ccccc2)cc1OC
COc1ccc(CCOC(=O)C2(CCN(C)CC2)c2ccccc2)cc1
COc1ccc(CCNC(=O)C2(CCN(C)CC2)c2ccccc2)cc1OC
COc1ccc(CCNC(=O)C2(CCN(C)CC2)c2ccccc2)cc1
COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1OC
COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1
COc1ccc(CCC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1OC
COc1ccc(CCC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
COc1ccc(CCNC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1OC
COc1ccc(CCOC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
COc1ccc(CCNC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1OC
COc1ccc(CCNC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
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
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
NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
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,)|
Fc1cccc2C(=O)C(=O)N(Cc3ccc(cc3)C(F)(F)F)c12
FC(F)(F)c1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1
FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccccc3Cl)C(=O)C(=O)c2c1
Fc1cc(Br)ccc1CN1C(=O)C(=O)c2cccc(Cl)c12
FC(F)(F)Oc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Cc1ccccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12
Fc1cc(Br)ccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12
Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
COc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
Fc1cccc2C(=O)C(=O)N(Cc3ccc(Br)cc3)c12
COc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1
COc1cccc(CN2C(=O)C(=O)c3c2c(Cl)ccc3Cl)c1
COc1cccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)c1
FC(F)(F)c1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
Fc1ccc2N(Cc3ccccc3C(F)(F)F)C(=O)C(=O)c2c1
Fc1ccc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1
Fc1cccc2C(=O)C(=O)N(Cc3ccccc3C(F)(F)F)c12
NCC1CC1c1cc(F)c(F)cc1OCC=C
Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1
FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |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|
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C
Cc1c(nnc2c1c(c(s2)C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)N)C
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
FC(F)(F)Oc1ccc2N(Cc3ccc(Oc4ccccc4)cc3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccc(Cl)nc3)C(=O)C(=O)c2c1
Fc1ccc(cn1)-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Cn1cc(cn1)-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
COc1ccccc1-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
COc1ccc(CN2C(=O)C(=O)c3ccc(OC(F)(F)F)cc23)cc1
FC(F)(F)Oc1ccc2C(=O)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c2c1
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,)|
CCN1CCN(CC1)c1ccc(NC(=O)c2ccccc2)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)c2ccccc2Cl)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)c2ccccc2OC)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(C)cc2)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)c2cccc(C)c2)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(OC)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)CCNC(=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/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/c2ccncc2)c2ccccc12 |t:8|
CN(C)CCOC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
CN(C)CCOC(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:8|
CN(C)CCC1=C\C(=C/c2cccnc2)c2ccccc12 |t:5|
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
CN1CCN(CC1)C(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:10|
CN(C)CCN(C)C(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:9|
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)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
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)CCC1=C\C(=C/c2ccccn2)c2ccccc12 |t:5|
FC(F)(F)Oc1ccc2N(Cc3cccc(c3)-c3ccccc3)C(=O)C(=O)c2c1
Fc1cc(ccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12)-c1ccccc1
Fc1cc(cc(F)c1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12)-c1ccccc1
FC(F)(F)Oc1ccc2N(Cc3ccc4OCOc4c3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3cccc(Oc4ccccc4)c3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3cccnc3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccncc3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3cncnc3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccc(Cl)nc3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccc(cn3)-c3ccccc3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccc(cn3)-c3cccnc3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccc(cn3)-c3ccncc3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccc(nc3)-c3ccccc3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccc(nc3)-c3cccnc3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccc(nc3)-c3ccncc3)C(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2N(Cc3ccc(Oc4ccccn4)cc3)C(=O)C(=O)c2c1
Fc1cccc(Oc2ccc(CN3C(=O)C(=O)c4cc(OC(F)(F)F)ccc34)cc2)n1
COc1cccc(Oc2ccc(CN3C(=O)C(=O)c4cc(OC(F)(F)F)ccc34)cc2)n1
FC(F)(F)Oc1ccc2N(Cc3ccc(Oc4nccs4)cc3)C(=O)C(=O)c2c1
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[N+](C)(C)CC#CCN1CCCC1=O
C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O |r|
O=C1CC[C@@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1
O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1
C(c1ccccc1)c1ncc2CCNCCc2n1
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)no1
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|
Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
COc1cccc2[nH]cc(-c3ccnc(N)n3)c12
Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12
Nc1nc(Br)ncc1-c1c[nH]c2cccc(O)c12
Cc1cc(ccc1Cl)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r|
FC1CCN(CC1)c1ccc(cc1)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r|
FC1CCCN(C1)c1ccc(cc1)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r|
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(cc1)N1CCCC(F)(F)C1 |r|
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(cc1)N1CCCCC1C(F)(F)F |r|
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(cc1)N1CCC(F)(F)CC1 |r|
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(cc1)N1CCC(CC1)C(F)(F)F |r|
CC1CCCN(C1)c1ccc(cc1)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r|
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(cc1)N1CCCC(C1)C#N |r|
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(cc1)N1CCc2ccccc2C1 |r|
CC1Cc2ccccc2N1c1ccc(cc1)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r|
CN(C1CCC1)c1ccc(cc1)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r|
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(NC2CCC2)cc1 |r|
F[C@@H]1CCN(C1)c1ccc(cc1)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r|
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(cc1)N1CC2(C1)CC(F)(F)C2 |r|
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(cc1)N1CCC[C@H]1c1cccnc1 |r|
Cc1cc(ccc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 |r|
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(cc1)N1CCCCC1 |r|
Cc1cc(ccc1Cl)[C@@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r|
CCOC(=O)N1CCN(CC1)c1ccc(cc1)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r|
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)NCCNC(=O)c1ccccc1C
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)c1ccccc1 |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|
O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(CC1)c1ccncc1
CCOC(=O)c1c[nH]c2ccc3OC4N(CCc5cc(OC)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|
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Oc6ccccc6)ccc45)Cc3c12
CCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
COC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccccc45)Cc3c12
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cccc(C)c45)Cc3c12
CCOC(=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
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)c(OC)cc45)Cc3c12
COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OC(C)C)c5c4CN3CCc2c1
CCOC(=O)c1c[nH]c2ccc3OC4N(CCc5cc(OC)c(OC)cc45)Cc3c12
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccccc45)Cc3c12
COc1ccc2C3Oc4ccc5[nH]c(C)cc5c4CN3CCc2c1
COC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OCC)ccc45)Cc3c12
COc1cc2CCN3Cc4c(OC3c2cc1OC)ccc1[nH]c(C)cc41
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(cc12)C#Cc1ccc(Cl)s1)C(=O)OCC |r|
CCN(C)C1CCCc2ccncc12
CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(F)c1
Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)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
Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
CCN1CC=C(C(C1)C(=O)OCCCC1CCCCC1)c1ccccc1 |c:4|
CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:15|
CCN1CCC(=C(C1)C(=O)OCC(c1ccccc1)c1ccccc1)c1ccccc1 |c:5|
CCCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:12|
CCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:7|
CCN1CCC(=C(C1)C(=O)OCCCCCc1ccccc1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OC)c1ccccc1 |c:5|
CCCCCc1noc(n1)C1=C(CCN(CC)C1)c1ccccc1 |t:11|
CCN1CC=C(C(C1)C(=O)OCC(c1ccccc1)c1ccccc1)c1ccccc1 |c:4|
CCN1CCC(=C(C1)C(=O)OCCC1CCCCC1)c1ccccc1 |c:5|
CCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:10|
CCN1CC=C(C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:4|
CCN1CC[C@H]([C@H](C1)C(=O)OCCc1ccccc1)c1ccccc1
CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:17|
CCN1CCC(=C(C1)C(=O)OCc1ccccc1)c1ccccc1 |c:5|
CCN1CC=C(C(C1)C(=O)OCC1CCCCC1)c1ccccc1 |c:4|
CCCCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:13|
CCN1CCC(=C(C1)C(=O)OCC(C)C)c1ccccc1 |c:5|
CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:18|
CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:12|
CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1
CCN1CCC(=C(C1)C(=O)OCCCc1ccccc1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1ccc(C)cc1)c1ccccc1 |c:5|
CCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:6|
CCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:5|
CCN1CC[C@H]([C@@H](C1)C(=O)OC1CCCCC1)c1ccccc1
CCN1CC=C(C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:4|
CCN1CC=C(C(C1)C(=O)OCCC1CCCCC1)c1ccccc1 |c:4|
CCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:5|
CCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:9|
CCN1CC=C(C(C1)C(=O)OCCCc1ccccc1)c1ccccc1 |c:4|
CCN1CC=C(C(C1)C(=O)OCCc1ccc(C)cc1)c1ccccc1 |c:4|
CCN1CCC(=C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:5|
CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:13|
CCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:11|
CCCCCc1noc(n1)C1CN(CC)CC=C1c1ccccc1 |c:17|
CCN1CCC(=C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:5|
CCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:8|
CCN1CC=C(C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:4|
CCN1CCC(=C(C1)C(=O)Oc1ccccc1)c1ccccc1 |c:5|
CCN1CC=C(C(C1)C(=O)OCc1ccccc1)c1ccccc1 |c:4|
CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:16|
CCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:11|
CCN1CC=C(C(C1)C(=O)OCC(C)C)c1ccccc1 |c:4|
CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:14|
CCN1CC=C(C(C1)C(=O)OCCc1ccccc1)c1ccccc1 |c:4|
CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:19|
CCN1CC=C(C(C1)C(=O)Oc1ccccc1)c1ccccc1 |c:4|
CCN1CC[C@H]([C@H](C1)C(=O)OC1CCCCC1)c1ccccc1
CCN1CCC(=C(C1)C(=O)OCC1CCCCC1)c1ccccc1 |c:5|
CCN1CC=C(C(C1)C(=O)OCCCCCc1ccccc1)c1ccccc1 |c:4|
CCN1CCC(=C(C1)C(=O)OCCc1ccccc1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCCC1CCCCC1)c1ccccc1 |c:5|
CCN1CC=C(C(C1)C(=O)OC)c1ccccc1 |c:4|
Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c1=O
C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
Cc1cc(OCC#CC[N+](C)(C)C)no1
C[N+]12CCC(CC1)\C(C2)=N\OCC#CCOc1ccon1 |THB:9:7:2.3:6.5,(-6.38,-12.44,;-6.16,-10.93,;-7.68,-11.58,;-7.87,-10.22,;-6.42,-9.58,;-6.35,-7.96,;-5.91,-9.05,;-5.08,-10.18,;-4.81,-11.56,;-3.98,-9.29,;-2.66,-10.08,;-1.32,-9.33,;0,-10.12,;1.31,-10.9,;2.63,-11.69,;3.98,-10.94,;5.3,-11.74,;6.32,-10.58,;7.73,-11.2,;7.58,-12.73,;6.08,-13.06,)|
C[N+]1(CC#CCN2OCCC2=O)CCc2ccccc2C1
C[NH+](C)CC#CCOc1cc(C)on1
C(OC1=NOCC1)C#CC[NH+]1CCCCC1 |t:2|
O=C1CCON1CC#CC[NH+]1CCc2ccccc2C1
O=C1CCON1CC#CC[NH+]1CCCCC1
Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
C(C#CCC1=NOCC1)[NH+]1C2CCC1CCC2 |w:10.18,13.15,t:4|
C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 |t:7|
O=C1CCON1CC#CCN1CCCC1
C[N+]1(CC#CCOc2cc(on2)-c2ccccc2)CCCC1
C(OC1=NOCC1)C#CC[NH+]1CCc2ccccc12 |t:2|
C(OC1=NOCC1)C#CC[NH+]1CCc2ccccc2C1 |t:2|
C[N+]1(CC#CCOC2=NOCC2)CCCCC1 |t:7|
C(Oc1cc(on1)-c1ccccc1)C#CC[NH+]1CCCC1
C[N+]1(CC#CCN2OCCC2=O)CCCCC1
C[NH+](C)CC#CCOc1cc(on1)-c1ccccc1
C[N+]1(CC#CCN2OCCC2=O)CCc2ccccc12
O=C1CCON1CC#CC[NH+]1C2CCC1CCC2
Cc1cc(OCC#CC[NH+]2CCCC2)no1
C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc12 |t:7|
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
CCN1CCN(CC1)c1ccc(NC(=O)CC(C)(C)C)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)CCc2ccccc2)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)CCC2CCCC2)cc1Cl
CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
CCN1CCN(CC1)c1ccc(NC(=O)COCc2ccccc2)cc1Cl
CCN1CCN(CC1)c1ccc(NC(=O)COc2ccccc2)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(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
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|
CCN(CC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1
CCCCN(CCCC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1
CC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
CCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccccc1
O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1
O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1
CCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1
O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1
COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)C1
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
Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1
C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
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(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,)|
CN(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
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: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:1.21,22.24,(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:1.21,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[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,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,)|
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,)|
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,)|
CN(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
[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,)|
COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc34)CC2)cc1OC
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
CCCCC1CCN(CCCN2C(=O)COc3cc(F)ccc23)CC1
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)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|
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|
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)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
C(C1CCCCC1)N1CCCC1
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
CN(C)CC1COCC(O1)(c1ccccc1)c1ccccc1
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]1COCC(O1)(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|
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
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|
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)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|
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|
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)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|
Fc1ccc(cc1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(1.19,-6.13,;.8,-4.65,;1.82,-3.52,;1.31,-2.03,;-.18,-1.72,;-1.21,-2.85,;-.74,-4.34,;-.64,-.28,;.28,1,;-.64,2.23,;-.18,3.67,;-1.26,4.8,;1.31,4.03,;2.28,2.8,;3.82,2.8,;4.8,3.98,;3.47,3.62,;2.23,4.24,;1.72,5.52,;3.11,6.13,;4.49,5.47,;-2.13,1.77,;-3.47,2.54,;-4.8,1.77,;-4.8,.23,;-3.47,-.54,;-2.13,.23,)|
Cl.FC(F)(F)c1cnn(c1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(3.57,-1.5,;.59,-6.29,;-.5,-5.2,;-1.99,-5.6,;-.9,-6.69,;-.1,-3.71,;1.25,-3.18,;1.25,-1.61,;-.24,-1.21,;-1.06,-2.5,;-.64,.28,;.28,1.56,;-.64,2.79,;-.18,4.23,;-1.26,5.36,;1.31,4.59,;2.28,3.36,;3.82,3.36,;4.8,4.54,;3.46,4.18,;2.23,4.79,;1.72,6.08,;3.1,6.69,;4.49,6.02,;-2.13,2.33,;-3.46,3.1,;-4.8,2.33,;-4.8,.79,;-3.46,.02,;-2.13,.79,)|
C[N+](C)(C)C[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|
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|
C1CNC(C1)c1ccco1
Cc1ccc(o1)[C@@H]1CCC[N+]1(C)C |r|
C[N+]1(C)CCC[C@H]1c1ccco1 |r|
CN1CCC[C@H]1c1ccc(C)o1 |r|
CN1CCC[C@H]1c1ccco1 |r|
Cc1ccc(o1)[C@H]1CCCN1 |r|
Cc1ccc(o1)[C@@H]1CCCN1 |r|
C1CN[C@H](C1)c1ccco1 |r|
Cc1ccc(o1)[C@H]1CCC[N+]1(C)C |r|
C[N+]1(C)CCC[C@@H]1c1ccco1 |r|
CN1CCC[C@@H]1c1ccc(C)o1 |r|
CN1CCC[C@@H]1c1ccco1 |r|
C1CN[C@@H](C1)c1ccco1 |r|
Cc1ccc(C[N+](C)(C)C)o1
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
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|
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
CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
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)O[C@H]1C |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|
C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 |r|
CC1(C)OC[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|
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|
CC1(C)COC[C@@H](C[N+](C)(C)C)O1 |r|
C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 |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|
Cc1ccc(cc1Cl)-c1ccccc1C(=O)NCC1CCNCC1
Fc1ccc(Cl)cc1-c1ccccc1C(=O)NCC1CCNCC1
CC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1
Clc1cccc(c1)-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
Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl
Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
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
CCOC(=O)C1=C(CCN(C1)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 |t:5|
CCOC(=O)C1=C(CCN(C1)C1CCN(CC1)C(=O)c1c(Cl)cccc1Cl)c1ccccc1 |t:5|
CCOC(=O)C1=C(CCN(C1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccccc1 |t:5|
CCOC(=O)C1=C(CCN(CCc2ccc3OCOc3c2)C1)c1ccccc1 |t:5|
CCOC(=O)C1=C(CCN(CCc2ccc3OCCc3c2)C1)c1ccccc1 |t:5|
CCOC(=O)C1=C(CCN(CCc2ccc(OC)cc2)C1)c1ccccc1 |t:5|
CCOC(=O)C1=C(CCN(CCc2ccccc2)C1)c1ccccc1 |t:5|
COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2OC)cc1OC |t:11|
COc1cccc(c1)C1=C(CN(C)CC1)C(=O)OCCc1ccc(OC)c(OC)c1 |t:9|
COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2F)cc1OC |t:11|
COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2cccc(F)c2)cc1OC |t:11|
COc1ccccc1C1=C(CN(C)CC1)C(=O)OCCc1ccc2OCCc2c1 |t:9|
COc1cccc(c1)C1=C(CN(C)CC1)C(=O)OCCc1ccc2OCCc2c1 |t:9|
CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1F |c:4|
CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1cccc(F)c1 |c:4|
CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccc(F)cc1 |c:5|
COc1ccc(OCCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:12|
COC(COC(=O)C1=C(CCN(C)C1)c1ccccc1)c1ccccc1 |t:7|
CN1CCC(=C(C1)C(=O)OCCc1cccc2ccccc12)c1ccccc1 |c:4|
COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11|
COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1C |t:11|
CN1CCC(=C(C1)C(=O)OCCc1cccc(F)c1)c1ccccc1 |c:4|
CN1CCC(=C(C1)C(=O)OCCc1cccc(C)c1)c1ccccc1 |c:4|
CN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)S(C)(=O)=O)c1ccccc1 |c:4|
CSc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:11|
CN1CCC(=C(C1)C(=O)OCCCc1ccc2OCCc2c1)c1ccccc1 |c:4|
CN1CCC(=C(C1)C(=O)OCc1ccc2OCCc2c1)c1ccccc1 |c:4|
COc1ccc(CCCCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:13|
CCCCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:7|
CCCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:6|
CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:4|
CCCCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:7|
CCCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:6|
COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:11|
COc1ccc(CCOC(=O)C2=C(CCN(Cc3ccc(OC)cc3)C2)c2ccccc2)cc1 |t:11|
CCN1CCC(=C(C1)C(=O)OCCc1ccsc1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1ccncc1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1ccccn1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1c(C)cc(C)cc1C)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1cc(OC)c(OC)c(OC)c1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)c(F)c1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCc1ccc2OCOc2c1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCOc2c1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)S(C)(=O)=O)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1ccc(Br)cc1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1ccc(Cl)cc1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1ccc(F)cc1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1ccccc1C)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)O[C@@H](C)Cc1ccc(OC)cc1)c1ccccc1 |r,c:5|
CCN1CCC(=C(C1)C(=O)OCCCc1ccc(OC)cc1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCc1ccc(OC)cc1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1cccc(OC)c1)c1ccccc1 |c:5|
CCN1CCC(=C(C1)C(=O)OCCc1ccccc1OC)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|
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
CN1CCC(=CC1)c1ccccc1C(=O)OCCc1ccc2OCCc2c1 |c:4|
CN1CCC(C(=O)OCCc2ccc3OCCc3c2)=C(C1)c1ccccc1 |c:20|
COc1ccc(CCOC(=O)C2=C(CN(C)CC2)c2ccccc2)cc1OC |t:11|
FC(F)(F)Oc1ccc2N(CCOc3ccccc3)C(=O)C(=O)c2c1
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1
Fc1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Cc1nnc2sc(C(=O)N3CC(C3)c3ccccc3)c(N)c2c1C
CC(C)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S |r,t:4|
Cn1cc(cn1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CCOCC2)cn1
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cccc(Cl)c45)Cc3c12
COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCc6ccccc6)c5c4CN3CCc2c1
COC(=O)c1c(C)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCOC(=O)c1c(CC)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC
COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCC=C)c5c4CN3CCc2c1
CCN(C)C(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(OC)ccc5C4Oc3ccc2n1C
CCCCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
COc1ccc2C3Oc4ccc5[nH]c(C)c(Cc6ccccc6)c5c4CN3CCc2c1
CCCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
CCOC(=O)c1c(C)n(CC)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Cl)ccc45)Cc3c12
COc1ccc2C3Oc4ccc5[nH]c(C)c(-c6nc(C)no6)c5c4CN3CCc2c1
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c12
CCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC
CCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
CCOC(=O)c1c(CC)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
COc1ccc(Cn2c(C)c(C(=O)OCC=C)c3c4CN5CCc6cc(OC)ccc6C5Oc4ccc23)cc1
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(O)ccc45)Cc3c12
CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCOC(=O)c1c(C)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(SC)ccc5C4Oc3ccc2n1C
CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 |c:5|
CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc12)c1ccccn1 |c:2|
CN(C)CCC1=C(c2ccccc2C1)C(C)(C)c1ccccn1 |t:5|
CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 |c:8|
CC(C1=C(CCN2CCCCC2)Cc2ccccc12)c1ccccn1 |c:2|
CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 |c:5|
CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 |c:7|
CC(C1=C(CCN(C)C)Cc2ccc(F)cc12)c1ccccn1 |c:2|
CC(C1=C(CCN(C)C)Cc2cc(C)ccc12)c1ccccn1 |c:2|
C[C@@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 |c:8|
COc1ccc2C(C(C)c3ccccn3)=C(CCN(C)C)Cc2c1 |t:15|
CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:3|
CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:2|
CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 |c:5|
CC(C)N(C)CC1=C(C(C)c2ccccn2)c2ccccc2C1 |c:6|
CC(C1=C(CN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
CSc1ccc2CC(CCN(C)C)=C(C(C)c3ccccn3)c2c1 |t:12|
CC(C1=C(CCN2CCCC2)Cc2ccccc12)c1ccccn1 |c:2|
CC(C)N(C)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 |c:7|
CCCC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:4|
CC(C)N(CCC1=C(C(C)c2ccccn2)c2ccccc2C1)C(C)C |c:6|
CC(C1=C(CCN(C)C)Cc2ccc(C)cc12)c1ccccn1 |c:2|
CC(C1=C(CCN(C)CCF)Cc2ccccc12)c1ccccn1 |c:2|
CCC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:3|
CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccc1 |c:2|
CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 |c:8|
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |r,c:2|
CC(C1=C(CCCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1 |c:5|
COc1ccc2CC(CCN(C)C)=C(C(C)c3ccccn3)c2c1 |t:12|
CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 |c:8|
CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 |c:8|
CC(C1=C(CCN2CCOCC2)Cc2ccccc12)c1ccccn1 |c:2|
[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|
C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1
[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
[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])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])CCCN1C |r|
CN1CCC=C(C1)C(=O)OCC#C |c:4|
[H][C@@]1(C[S@+]([O-])[C@@H](C)O1)[C@]1([H])CCC[N+]1(C)C
CC[C@H]1[C@H](COC1=O)Cc2cncn2C
Cc1nccn1CC#CCN1CCCC1=O
C[C@@H]1O[C@@H](C[S+]1[O-])[C@@H]1CCC[N+]1(C)C |r|
[H][C@@]1(CS[C@@H](C)O1)[C@@]1([H])CCC[N+]1(C)C
[H][C@]1(CS[C@H](C)O1)[C@@]1([H])CCC[N+]1(C)C
[H][C@@]1(C[N+](C)(C)C)CS[C@]([H])(C)O1
[H][C@]1(CS[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C
[H][C@@]1(CS[C@@H](C)O1)[C@]1([H])CCC[N+]1(C)C
CO\N=C\C1=CCCN(C)C1 |t:4|
[H][C@]1(CO[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C
[H][C@]1(CO[C@H](C)O1)[C@@]1([H])CCC[N+]1(C)C
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
[#7][#6](-[#7])=[#7][#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
[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|
CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)C
[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23
[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)OC(=O)[C@H](CO)c1ccccc1
C[N+](C)(C)CC#CCOC1=NOCC1
C[N+](C)(CCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2ccccc2C1=O |t:17|
C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1
[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O
[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)C)OC(=O)[C@H](CO)c1ccccc1
[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23)OC(=O)[C@H](CO)c1ccccc1
CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl
COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6|
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r|
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
O=C(OCCc1ccc2OCOc2c1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:14:15:18.19:21.22,(71.69,-33.09,;71.75,-31.55,;73.11,-30.83,;74.42,-31.65,;75.78,-30.93,;77.08,-31.75,;77.02,-33.29,;78.32,-34.1,;79.69,-33.37,;81.14,-33.89,;82.08,-32.68,;81.22,-31.4,;79.74,-31.84,;78.43,-31.02,;70.44,-30.74,;69.08,-31.46,;68.73,-32.89,;67.25,-32.38,;67.24,-30.35,;67.84,-29.09,;67.87,-31.01,;66.17,-31.47,;65.76,-32.9,;70.5,-29.2,;71.86,-28.48,;71.92,-26.94,;70.61,-26.12,;69.25,-26.85,;69.2,-28.39,)|
Fc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:11:12:15.16:18.19,(80.95,-52.51,;79.59,-53.23,;79.54,-54.77,;78.18,-55.49,;76.88,-54.66,;75.51,-55.39,;74.21,-54.57,;72.85,-55.29,;71.54,-54.47,;70.18,-55.19,;70.13,-56.73,;68.88,-54.38,;67.52,-55.1,;67.17,-56.53,;65.68,-56.02,;65.67,-53.99,;66.27,-52.73,;66.3,-54.65,;64.6,-55.1,;64.2,-56.54,;68.93,-52.84,;70.3,-52.12,;70.35,-50.58,;69.05,-49.76,;67.68,-50.49,;67.63,-52.03,;76.92,-53.14,;78.28,-52.41,;78.33,-50.87,)|
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,)|
COc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1OC |TLB:12:13:16.17:19.20,(18.87,-18,;18.82,-19.54,;17.46,-20.26,;17.4,-21.8,;16.04,-22.52,;14.74,-21.7,;13.38,-22.42,;12.07,-21.6,;10.71,-22.32,;9.41,-21.5,;8.05,-22.22,;7.99,-23.76,;6.74,-21.41,;5.38,-22.13,;5.03,-23.56,;3.55,-23.05,;3.54,-21.02,;4.14,-19.76,;4.17,-21.68,;2.47,-22.14,;2.06,-23.57,;6.8,-19.87,;8.16,-19.15,;8.22,-17.61,;6.91,-16.79,;5.55,-17.52,;5.5,-19.06,;14.79,-20.17,;16.14,-19.44,;16.19,-17.9,;17.55,-17.18,)|
O=C(OCCc1ccccc1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:11:12:15.16:18.19,(41.96,-22.79,;42.02,-21.25,;43.38,-20.53,;44.68,-21.35,;46.04,-20.63,;47.35,-21.45,;47.29,-22.99,;48.59,-23.8,;49.95,-23.08,;50,-21.53,;48.7,-20.72,;40.71,-20.44,;39.35,-21.16,;39,-22.59,;37.51,-22.08,;37.51,-20.05,;38.11,-18.79,;38.14,-20.71,;36.43,-21.16,;36.03,-22.6,;40.77,-18.9,;42.13,-18.18,;42.19,-16.64,;40.88,-15.82,;39.51,-16.55,;39.46,-18.09,)|
O=C(OCCCc1ccccc1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:12:13:16.17:19.20,(57.75,-22.94,;57.8,-21.4,;59.16,-20.68,;60.47,-21.5,;61.83,-20.77,;63.13,-21.59,;64.49,-20.87,;65.8,-21.7,;67.16,-20.98,;67.21,-19.44,;65.9,-18.62,;64.54,-19.34,;56.5,-20.58,;55.14,-21.3,;54.79,-22.73,;53.3,-22.23,;53.29,-20.2,;53.89,-18.94,;53.92,-20.85,;52.22,-21.31,;51.81,-22.74,;56.55,-19.04,;57.91,-18.33,;57.97,-16.79,;56.66,-15.97,;55.3,-16.7,;55.25,-18.23,)|
COc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1 |TLB:12:13:16.17:19.20,(41.13,-29.36,;41.07,-30.9,;39.71,-31.62,;39.66,-33.17,;38.3,-33.89,;36.99,-33.06,;35.63,-33.78,;34.33,-32.96,;32.97,-33.69,;31.66,-32.87,;30.3,-33.59,;30.25,-35.13,;29,-32.77,;27.64,-33.49,;27.29,-34.92,;25.8,-34.42,;25.79,-32.39,;26.39,-31.13,;26.42,-33.04,;24.72,-33.5,;24.31,-34.93,;29.05,-31.23,;30.41,-30.52,;30.47,-28.98,;29.16,-28.16,;27.8,-28.89,;27.75,-30.42,;37.04,-31.53,;38.4,-30.81,)|
O=C(OCc1ccc2OCOc2c1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:13:14:17.18:20.21,(54.21,-33.97,;54.27,-32.43,;55.63,-31.71,;56.93,-32.53,;58.29,-31.81,;58.34,-30.28,;59.7,-29.55,;61.01,-30.37,;62.49,-29.95,;63.35,-31.22,;62.41,-32.43,;60.96,-31.91,;59.6,-32.63,;52.96,-31.61,;51.6,-32.34,;51.25,-33.77,;49.76,-33.26,;49.75,-31.23,;50.35,-29.97,;50.38,-31.89,;48.68,-32.34,;48.28,-33.78,;53.02,-30.07,;54.38,-29.36,;54.44,-27.82,;53.13,-27,;51.76,-27.73,;51.71,-29.27,)|
Clc1ccc(CCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1Cl |TLB:10:11:14.15:17.18,(36.39,-47.74,;35.08,-46.92,;33.72,-47.64,;32.41,-46.83,;32.48,-45.29,;31.17,-44.47,;29.81,-45.19,;28.5,-44.37,;27.14,-45.09,;27.09,-46.63,;25.84,-44.28,;24.48,-45,;24.13,-46.43,;22.64,-45.92,;22.63,-43.89,;23.23,-42.63,;23.26,-44.55,;21.56,-45,;21.16,-46.44,;25.89,-42.74,;27.26,-42.02,;27.31,-40.48,;26.01,-39.66,;24.64,-40.39,;24.59,-41.93,;33.83,-44.56,;35.13,-45.37,;36.49,-44.65,)|
Clc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1Cl |TLB:11:12:15.16:18.19,(58.17,-41.63,;56.81,-42.36,;56.76,-43.9,;55.4,-44.62,;54.09,-43.79,;52.73,-44.51,;51.43,-43.7,;50.07,-44.42,;48.76,-43.6,;47.4,-44.32,;47.35,-45.86,;46.1,-43.5,;44.74,-44.22,;44.39,-45.65,;42.9,-45.15,;42.89,-43.12,;43.49,-41.86,;43.52,-43.77,;41.82,-44.23,;41.42,-45.66,;46.15,-41.96,;47.52,-41.25,;47.57,-39.71,;46.27,-38.89,;44.9,-39.62,;44.85,-41.16,;54.14,-42.26,;55.5,-41.54,;55.55,-40,)|
COc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:10:11:14.15:17.18,(75.72,-42.28,;74.41,-41.47,;73.05,-42.19,;72.99,-43.73,;71.63,-44.45,;70.33,-43.63,;68.97,-44.35,;67.66,-43.53,;66.3,-44.25,;66.25,-45.79,;65,-43.43,;63.64,-44.15,;63.29,-45.59,;61.8,-45.08,;61.79,-43.05,;62.39,-41.79,;62.42,-43.7,;60.72,-44.16,;60.31,-45.59,;65.05,-41.89,;66.42,-41.18,;66.47,-39.64,;65.17,-38.82,;63.8,-39.55,;63.75,-41.08,;70.38,-42.1,;71.73,-41.37,;71.79,-39.83,)|
Cc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:9:10:13.14:16.17,(39.78,-53.75,;38.42,-54.48,;38.36,-56.02,;37,-56.74,;35.7,-55.91,;34.34,-56.63,;33.03,-55.81,;31.67,-56.54,;31.62,-58.07,;30.37,-55.72,;29.01,-56.44,;28.66,-57.87,;27.17,-57.37,;27.16,-55.34,;27.76,-54.07,;27.79,-55.99,;26.09,-56.45,;25.68,-57.88,;30.42,-54.18,;31.78,-53.46,;31.84,-51.93,;30.53,-51.11,;29.17,-51.84,;29.12,-53.37,;35.75,-54.38,;37.1,-53.66,;37.15,-52.12,)|
Cc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:11:12:15.16:18.19,(59.84,-52.87,;58.48,-53.59,;58.42,-55.13,;57.06,-55.85,;55.76,-55.03,;54.4,-55.75,;53.1,-54.93,;51.74,-55.65,;50.43,-54.83,;49.07,-55.55,;49.01,-57.09,;47.76,-54.74,;46.4,-55.46,;46.05,-56.89,;44.57,-56.38,;44.56,-54.35,;45.16,-53.09,;45.19,-55.01,;43.49,-55.47,;43.08,-56.9,;47.82,-53.2,;49.18,-52.48,;49.24,-50.94,;47.93,-50.13,;46.57,-50.85,;46.52,-52.39,;55.81,-53.5,;57.17,-52.77,;57.22,-51.23,)|
COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1OC
COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1OC |r,@:12,TLB:11:12:19:15.16|
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,)|
COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1
COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 |r,@:12,TLB:11:12:19:15.16|
CN1CCC(CC1)OC(=O)N(CCc1ccc(F)cc1)c1ccccc1
COc1ccc(CCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1OC |TLB:11:12:15.16:18.19,(57.36,-10.91,;56,-11.63,;54.7,-10.82,;53.33,-11.54,;52.03,-10.72,;52.09,-9.18,;50.79,-8.36,;49.43,-9.08,;48.12,-8.27,;46.76,-8.99,;46.71,-10.53,;45.46,-8.17,;44.09,-8.89,;43.74,-10.32,;42.26,-9.82,;42.25,-7.79,;42.85,-6.53,;42.88,-8.44,;41.18,-8.9,;40.77,-10.33,;45.51,-6.63,;46.87,-5.91,;46.93,-4.38,;45.62,-3.56,;44.26,-4.29,;44.21,-5.82,;53.44,-8.46,;54.75,-9.27,;56.11,-8.54,;57.41,-9.35,)|
O=C(OCc1ccccc1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:10:11:14.15:17.18,(26.99,-23.41,;27.05,-21.87,;28.41,-21.15,;29.72,-21.97,;31.08,-21.25,;32.38,-22.07,;33.74,-21.35,;33.8,-19.81,;32.48,-18.99,;31.13,-19.72,;25.74,-21.05,;24.38,-21.78,;24.03,-23.21,;22.55,-22.7,;22.54,-20.67,;23.14,-19.41,;23.17,-21.32,;21.46,-21.78,;21.06,-23.22,;25.8,-19.51,;27.16,-18.8,;27.22,-17.26,;25.91,-16.44,;24.55,-17.17,;24.5,-18.71,)|
[H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3|
COc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(82.94,-16.29,;82.89,-17.83,;81.53,-18.55,;81.47,-20.09,;80.11,-20.81,;78.81,-19.99,;77.45,-20.71,;76.14,-19.89,;74.78,-20.61,;74.73,-22.15,;73.47,-19.79,;72.11,-20.51,;71.76,-21.95,;70.28,-21.44,;70.27,-19.41,;70.87,-18.15,;70.9,-20.06,;69.19,-20.52,;68.79,-21.95,;73.53,-18.25,;74.89,-17.54,;74.95,-16,;73.64,-15.18,;72.28,-15.91,;72.23,-17.44,;78.86,-18.46,;80.21,-17.73,)|
Clc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1Cl |TLB:9:10:13.14:16.17,(17.52,-43.11,;16.16,-43.84,;16.11,-45.38,;14.75,-46.1,;13.44,-45.27,;12.08,-45.99,;10.78,-45.18,;9.41,-45.9,;9.36,-47.44,;8.11,-45.08,;6.75,-45.8,;6.4,-47.23,;4.91,-46.73,;4.9,-44.7,;5.5,-43.43,;5.53,-45.35,;3.83,-45.81,;3.42,-47.24,;8.16,-43.54,;9.53,-42.82,;9.58,-41.28,;8.28,-40.46,;6.91,-41.19,;6.86,-42.73,;13.49,-43.74,;14.85,-43.02,;14.9,-41.48,)|
COc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:12:13:16.17:19.20,(22.53,-54.79,;21.23,-53.98,;19.87,-54.7,;19.81,-56.24,;18.45,-56.96,;17.15,-56.13,;15.79,-56.86,;14.49,-56.04,;13.12,-56.76,;11.82,-55.94,;10.46,-56.66,;10.4,-58.2,;9.15,-55.85,;7.79,-56.57,;7.44,-58,;5.96,-57.49,;5.95,-55.46,;6.55,-54.2,;6.58,-56.12,;4.88,-56.57,;4.47,-58.01,;9.21,-54.31,;10.57,-53.59,;10.63,-52.05,;9.32,-51.23,;7.96,-51.96,;7.91,-53.5,;17.2,-54.61,;18.55,-53.88,;18.6,-52.34,)|
COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1OC
COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1
CN1CCCC(C1)OC(=O)N(CCc1ccc(F)cc1)c1ccccc1
COc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1OC |TLB:10:11:14.15:17.18,(76.33,-4.82,;76.28,-6.36,;74.92,-7.08,;74.86,-8.62,;73.5,-9.34,;72.2,-8.52,;70.84,-9.24,;69.54,-8.42,;68.17,-9.14,;68.12,-10.68,;66.87,-8.32,;65.51,-9.05,;65.16,-10.48,;63.67,-9.97,;63.67,-7.94,;64.26,-6.68,;64.3,-8.6,;62.59,-9.05,;62.19,-10.49,;66.93,-6.79,;68.29,-6.07,;68.34,-4.53,;67.04,-3.71,;65.67,-4.44,;65.62,-5.98,;72.25,-6.99,;73.61,-6.26,;73.66,-4.73,;75.01,-4,)|
COc1ccc(CCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1 |TLB:11:12:15.16:18.19,(20.61,-35.07,;19.25,-35.79,;17.94,-34.97,;16.58,-35.7,;15.28,-34.88,;15.34,-33.34,;14.04,-32.52,;12.67,-33.24,;11.37,-32.43,;10.01,-33.15,;9.95,-34.69,;8.7,-32.33,;7.34,-33.05,;6.99,-34.48,;5.51,-33.98,;5.5,-31.95,;6.1,-30.69,;6.13,-32.6,;4.43,-33.06,;4.02,-34.49,;8.76,-30.79,;10.12,-30.07,;10.18,-28.54,;8.87,-27.72,;7.51,-28.45,;7.46,-29.98,;16.69,-32.62,;18,-33.43,)|
COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1OC |TLB:11:12:15.16:18.19,(18.3,-9.26,;16.97,-10.03,;15.64,-9.27,;14.3,-10.04,;12.97,-9.27,;12.98,-7.73,;11.64,-6.96,;10.31,-7.73,;8.98,-6.96,;7.64,-7.73,;7.64,-9.27,;6.31,-6.96,;4.97,-7.73,;4.62,-9.16,;3.14,-8.65,;3.13,-6.62,;3.73,-5.36,;3.76,-7.28,;2.06,-7.74,;1.65,-9.17,;8.98,-5.42,;7.64,-4.65,;7.64,-3.1,;8.97,-2.33,;10.31,-3.1,;10.31,-4.65,;14.3,-6.96,;15.63,-7.72,;16.96,-6.94,;18.3,-7.71,)|
CN1CCC(=CC1)c1nsnc1OCCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |c:4|
N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
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](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
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(=O)N[C@@H](Cc1ccc(O)cc1)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](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)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(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
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](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCCN)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
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](CCCNC(N)=N)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
CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc12
CCCC(C)(C)C(=O)N(CC)CCCC1CCN(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)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](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=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
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](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](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)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)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
CCC(=O)NCCCCC1CCN(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)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)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
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,)|
Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)SCCS2
CCN(C(=O)Cn1cc(c(n1)N1CCOCC1)-c1ccccc1)c1cccc(C)c1
Cc1noc(C)c1CCc1nnc2scc(-c3ccc(Cl)cc3)n12
Fc1ccc(cc1F)S(=O)(=O)N1CCC2(CC1)OCCS2
Fc1ccc(cc1Cl)S(=O)(=O)N1CCC2(CC1)OCCS2
Cn1cc(cn1)S(=O)(=O)N1CCC2(CC1)OCCS2
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CCCO2)CC1
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2
Fc1cc(F)cc(c1)-c1nnc(Cc2nc(no2)-c2ccc3OCOc3c2)o1
Cc1c(cnn1C)S(=O)(=O)N1CCC2(CC1)OCCS2
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2
Fc1cc(cc(F)c1F)S(=O)(=O)N1CCC2(CC1)OCCS2
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
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|
COc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
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
Cn1cc2cc(ccc2n1)-c1ccc(CN2Cc3ncsc3C2=O)c(F)c1
Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3cnn(CC4CCCO4)c3C2=O)c(F)c1
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
CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
N[C@H](CCCNC(N)=N)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)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](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)[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](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](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
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)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
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
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|
Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
CC(=O)Nc1ccc(cc1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
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
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCCCc2c1
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OC(F)(F)Oc2c1
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
CC1Cc2cc(ccc2O1)S(=O)(=O)N1CCC(CSc2nccn2C)CC1
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1cccc2OCCOc12
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2ncccc2c1
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2ncsc2c1
CCn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
Cc1cnc(SCC2CCN(CC2)S(=O)(=O)c2ccc3OCCc3c2)n1C
Cc1cn(C)c(SCC2CCN(CC2)S(=O)(=O)c2ccc3OCCc3c2)n1
Cc1nc(SCC2CCN(CC2)S(=O)(=O)c2ccc3OCCc3c2)n(C)c1C
CC(Sc1nccn1C)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
CCC(Sc1nccn1C)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
Cn1ccnc1SC(C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1)C(F)(F)F
Cn1ccnc1C#CC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
O=S(=O)(N1CCC(CSc2nccs2)CC1)c1ccc2OCCc2c1
O=S(=O)(N1CCC(CCc2nccs2)CC1)c1ccc2OCCc2c1
Cc1nnc(SCC2CCN(CC2)S(=O)(=O)c2ccc3OCCc3c2)s1
C[C@H]1C[C@@H](CSc2nccn2C)CCN1S(=O)(=O)c1ccc2OCCc2c1 |r|
Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r|
Cn1ccnc1SCC1(F)CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
Cn1ccnc1SCC1CCC(CC1)S(=O)(=O)c1ccc2OCCc2c1 |(-.49,-5.1,;-1.98,-5.5,;-2.46,-6.96,;-4,-6.96,;-4.47,-5.5,;-3.23,-4.59,;-3.23,-3.05,;-1.89,-2.28,;-1.89,-.74,;-.56,.03,;-.56,1.57,;-1.89,2.34,;-3.23,1.57,;-3.23,.03,;-1.89,3.88,;-2.66,5.21,;-3.43,3.88,;-.56,4.65,;-.56,6.19,;.77,6.96,;2.1,6.19,;3.57,6.67,;4.47,5.42,;3.57,4.18,;2.1,4.65,;.78,3.89,)|
Cn1ccnc1SCC1CCN(C1)S(=O)(=O)c1ccc2OCCc2c1
[H][C@@]12CC(C[C@]1([H])CN(C2)S(=O)(=O)c1ccc2OCCc2c1)Sc1nccn1C |r|
Cn1ccnc1Sc1ccc2CN(CCc2c1)S(=O)(=O)c1ccc2OCCc2c1
Cn1ccnc1-c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc2OCCc2c1
Cn1ccnc1[S+]([O-])C[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r|
Cn1ccnc1S(=O)(=O)C[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
Clc1cccc2sc(OC3CCN(CC3)C(=O)Cn3c4ccccc4oc3=O)nc12
Cc1csc(SCC2CCN(CC2)S(=O)(=O)c2ccc3OCCOc3c2)n1
CC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CSc2nccn2C)CC1
Cc1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCC(CSc2nccn2C)CC1
Cc1nc2cc(NC(=O)C3CCN(CC3)S(=O)(=O)c3ccc4OCCc4c3)ccc2s1
CN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1)c1ccc2scnc2c1
C[C@@H]1CN(CC[C@@H]1C(=O)Nc1ccc2scnc2c1)S(=O)(=O)c1ccc2OCCc2c1 |r|
C[C@H]1CN(CC[C@@H]1C(=O)Nc1ccc2scnc2c1)S(=O)(=O)c1ccc2OCCc2c1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)c1ccc2OCCc2c1)C(=O)Nc1ccc2scnc2c1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)c1ccc2OCCc2c1)C(=O)Nc1ccc2scnc2c1 |r|
CC1COc2ccc(cc12)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1
CC1Cc2cc(ccc2O1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1
Cc1nn(C)cc1S(=O)(=O)N1CC[C@@H]([C@@H](F)C1)C(=O)Nc1ccc2scnc2c1 |r|
Cn1ncc(c1Cl)S(=O)(=O)N1CC[C@@H]([C@@H](F)C1)C(=O)Nc1ccc2scnc2c1 |r|
Cc1ncc(s1)S(=O)(=O)N1CC[C@@H]([C@@H](F)C1)C(=O)Nc1ccc2scnc2c1 |r|
O=C(Nc1ccc2cccnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
O=C(Nc1ccc2snnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
O=C(Nc1ccc2scnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2ncsc2c1
O=C(Nc1ccc2scnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2ncccc2c1
Clc1ccc(cn1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1
Cc1ccc(cn1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1
O=C(Nc1ccc2scnc2c1)C1CCN(CC1)S(=O)(=O)c1cccnc1
Cc1nn(C)cc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1
Clc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1
O=C(Nc1ccc2scnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
O=C(Nc1ccc2scnc2c1)C1CCN(C1)S(=O)(=O)c1ccc2OCCc2c1
O=C(Nc1ccc2scnc2c1)C1CN(C1)S(=O)(=O)c1ccc2OCCc2c1
O=C(Nc1ccc2scnc2c1)[C@H]1CCN(C1)S(=O)(=O)c1ccc2OCCc2c1 |r|
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(C1)S(=O)(=O)c1ccc2OCCc2c1 |r|
C[C@@H]1CN(C[C@@H]1C(=O)Nc1ccc2scnc2c1)S(=O)(=O)c1ccc2OCCc2c1 |r|
C[C@H]1CN(C[C@@H]1C(=O)Nc1ccc2scnc2c1)S(=O)(=O)c1ccc2OCCc2c1 |r|
O=C(Nc1ccc2scnc2c1)C12CC1CN(C2)S(=O)(=O)c1ccc2OCCc2c1
Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C1)C(=O)Nc1ccc2scnc2c1 |r|
Cn1cc(c(n1)C(F)(F)F)S(=O)(=O)N1CC[C@H](C1)C(=O)Nc1ccc2scnc2c1 |r|
Cc1ccc(cn1)S(=O)(=O)N1CC[C@H](C1)C(=O)Nc1ccc2scnc2c1 |r|
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(C1)S(=O)(=O)c1ccc2OCOc2c1 |r|
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(C1)S(=O)(=O)c1ccc2CCCc2c1 |r|
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(C1)S(=O)(=O)c1ccc2ncccc2c1 |r|
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(C1)S(=O)(=O)c1ccc2ncsc2c1 |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|
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|
OC(=O)c1cc(-c2ccc(cc2)C2=CC3(CNC3)C2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F |t:13|
[H][C@]12C[C@]([H])(CNC1)[C@]2(O)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccnc(C(F)(F)F)c3)C1)C2
Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1
CN(C)c1ccncc1
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