Compound Name

SMILES String

CC(=O)c1ccc2Sc3ccccc3Nc2c1

COc1ccccc1N1CCN(CCC2C(=O)c3ccccc3C(C)(C)C2=O)CC1

COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 |t:4|

CN1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13 |r|

CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl

Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C

Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|

COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4

COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |t:4|

COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|

O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1

COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1

CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC

CCCN(CCC)C1CCc2cccc(O)c2C1

CCC1(Cc2ccccc2C1)c1cnc[nH]1

C=CCN1Cc2ccccc2-c2ccccc2C1

Clc1cccc2-[#6]-[#7](-[#6]-c12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

Oc1ccc(CCNCC2CCc3ccccc3C2=O)cc1

CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34

CN1CCN(CC1)C1=Nc2ccccc2Sc2nccn12 |t:8|

CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|

Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

C1CN=C(N1)C1COc2ccccc2O1 |c:2|

c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F

Clc1cncc(n1)N1CCNCC1

C1CN(CCN1)c1nccn2ccnc12

Fc1cccnc1N1CCNCC1

CCOc1ccc(CC(NC(=O)CC2(S)CCCCC2)C(=O)NC(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(C=S)C(=O)NC(CCCCN)C(N)=O)cc1

CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O

CN1CCN2c3ccccc3Cc4ccccc4[C@H]2C1

Cc1cccc(C)c1CCc1cnc[nH]1

C(C1COc2ccccc2O1)N1CCCCC1

CCOC1(COc2ccccc2O1)C1=NCCN1 |t:15|

Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1

[#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1

CN1CCc2cccc(Cl)c2CC1

CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC

Clc1ccc2nsnc2c1NC1=NCCN1 |t:13|

C(C1=NCCN1)c1ccccc1 |t:1|

CN1C(Cc2cc(F)ccc12)C1=NCCN1 |t:13|

C=CCn1c(cc2ccccc12)C1=NCCN1 |t:14|

CCCS(=O)(=O)N(C)C1CCN2CCc3ccccc3C2C1

CS(=O)(=O)NCCN(C1CCN2CCc3ccccc3C2C1)S(C)(=O)=O

CCCCS(=O)(=O)N(C)[C@H]1CCN2CCc3ccccc3[C@H]2C1

Clc1cccc(c1)N1CCNCC1

COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|

c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F

CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|

CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O

CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1

CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl

CN(C)CCCN1c2ccccc2Sc3c1cccc3

c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F

CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1

CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F

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

CNCCCN1c2ccccc2CCc3c1cccc3

N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12

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

CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1

c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F

[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12

c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F

CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12

CNCCC(Oc1ccccc1C)c1ccccc1

Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1

COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1

CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23

NCC(O)c1ccc(O)c(O)c1

CC1N(CC2=NCCN2)Cc2ccccc12 |t:4|

NC(=N)NC(=O)Cc1c(Cl)cccc1Cl

COC1(COc2ccccc2O1)C1=NCCN1 |t:14|

Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12

CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|

Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12

Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1

CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21

NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1

OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|

CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F

Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12

c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5

CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl

COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O

CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1

Clc1cccc(c1)N1CCN(CCCn2[nH]c(=O)n(CCOc3ccccc3)c2=O)CC1

Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|

Oc1ccc2[C@H](CCCc2c1O)C1=NCCN1 |t:14|

Clc1cccc(Cl)c1N(CC=C)C1=NCCN1 |t:13|

CC(N)C(O)c1ccc(O)c(O)c1

Nc1nc2CCN(CC=C)CCc2s1

Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

Cc1cccc(c1C)[C@@H](C)c2cnc[nH]2

CNCC(O)c1ccc(O)c(O)c1

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|

Fc1cccc(Cl)c1C1CN2CCN=C2C1 |c:14|

CCn1ccnc1CC1COc2ccccc2O1

CC(C)NCC(O)c1ccc(O)c(O)c1

C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1 |r,t:12|

C(C1=NCCN1)c1cccc2ccccc12 |t:1|

c1ccc2ccccc2c1

Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 |t:7|

C1CC1C(NC1=[NH+]CCO1)C1CC1 |t:6|

[#6]-[#6]-c1cccc(-[#6]-[#6])c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

[#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]\c1cccc2-[#6]-[#6]-[#6]-[#6]-c12

c1cc(c(c2c1nccn2)Br)NC3=NCCN3

Cc1cccc(C)c1N=C1NCCCS1 |w:8.8|

Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10|

Fc1cccc2OC3CNCC3Oc12

CCN1CCc2nc(N)oc2CC1

Clc1cc(I)cc(Cl)c1NC1=[NH+]CCN1 |t:11|

NC1=NC2(CO1)CCc1ccccc1C2 |t:1|

COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O

CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1

c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F

C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1

COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12

CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1

CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl

CCOc1ccccc1O[C@@H](c2ccccc2)[C@@H]3CNCCO3

COc1ccc2CC(CN(C)C)(c2c1)C1(O)CCCCC1

CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12

CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3

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

CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O

CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O

CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1

[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|

CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13

CCCNC1CCc2nc(N)sc2C1

CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12

CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|

CCCN(CCC)CCc1cccc2NC(=O)Cc12

Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|

CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1

C[NH+](C)C1CCc2cc(O)c(O)cc2C1

COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1

CCn1c2nocc2c(=O)[nH]c1=O

C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1

O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1

NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|

S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1

c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4

CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19|

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

CC(N)C(=O)c1ccccc1

CNC(C)C(=O)c1ccccc1

CC(N)C(O)c1ccccc1

CNC(C)C(O)c1ccccc1

CCc1cc2c(ccc3cnn(CC(C)N)c23)o1

CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O

CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1

COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC

OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1

CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|

NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1

COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1

COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1

CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC

Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|

Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O

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]c2c1c(ccc2)O

CN(C)CCc1c[nH]c2c1cc(cc2)OC

CCc1cc(OC)c(CCN)cc1OC

CCSc1cc(OC)c(CCN)cc1OC

CCSc1cc(OC)c(CC(C)N)cc1OC

CCOc1cc(OC)c(CC(C)N)cc1OC

COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1

CC(C)N(CCc1c[nH]c2ccccc12)C(C)C

COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1

CCCN(CCC)CCc1c[nH]c2ccccc12

CCSc1cc(OC)c(CC(N)CC)cc1OC

CN(C)CCc1c[nH]c2cc(F)ccc12

CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C

NCCc1c2CCOc2c(Br)c2CCOc12

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

CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C

c1cc(c(cc1[C@H](CN)O)O)O

C[C@H](c1cnc[nH]1)c1cccc(C)c1C

Clc1cccc(Cl)c1NC1=NCCN1 |t:10|

c1ccc2c(c1)cncc2Nc3ccncc3

Cc1cc2[nH]ncc2cc1-c1ccc(N)nc1

C=C(c1ccccc1)c1cc(N)ccn1

c1cc2c(cc1C3=CCCNC3)CC2

Fc1cccc2c(Nc3ccncc3)cccc12

Clc1ccc2cccc(Nc3ccncc3)c2c1

Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1

c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl

Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1

OCc1ccc(cc1Cl)N1CCN(Cc2nc3ccccc3[nH]2)CC1

C(C1Cc2ccccc2C1)N1CCN(CC1)c1ccc2OCCOc2c1

c1ccc2c(c1)CCO[C@H]2CCN3CCN(CC3)c4ccc(cc4)S(=O)(=O)N

Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1

C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|

CCCC[S@@+]([O-])c1sc2nc(cc(-c3cnc(C)n3C)c2c1N)-c1nccs1 |r|

CCCN1CCC=C2C1COc1ccccc21 |c:6|

CCCN1CCC[C@H]2[C@H]1COc1cccc(O)c21

CCCCN1CCC[C@H]2[C@H]1COc1c(O)cccc21

CCCN1CCC[C@H]2[C@H]1COc1cc(O)ccc21

CCCN1CCC[C@H]2[C@H]1COc1cccc(OC)c21

CCCN1CCC[C@H]2[C@H]1COc1ccc(O)cc21

COc1cc(C)cc2OC[C@@H]3[C@H](CCCN3C)c12

CCCN1CCC[C@H]2[C@H]1COc1c(O)cccc21

CCCN1CCC[C@H]2[C@H]1COc1ccccc21

CCCN1CCC[C@H]2[C@H]1COc1cc(C)cc(OC)c21

CCCN1CCC=C2C1COc1ccc(O)cc21 |c:6|

CN1CCC[C@H]2[C@H]1COc1c(O)ccc(C)c21

CCCN1CCC=C2C1COc1cccc(OC)c21 |c:6|

NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl

COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1

C(N1Cc2ccc(cc2C1)N1CCOCC1)c1ccccc1

C(N1CCc2cc(ccc2C1)N1CCOCC1)c1ccccc1

CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1

CC(=C)CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1

O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1

C1CCN2CCc3c(sc4ccccc34)C2C1

C1CCN2CCc3c([nH]c4ncccc34)C2C1

C1CCN2CCc3c(oc4ccccc34)C2C1

C1CCN2CCc3ccsc3C2C1

C1CCN2CCc3cn[nH]c3C2C1

C1CCN2CCc3c([nH]c4ccccc34)C2C1

Nc1nc2C3CCCCN3CCc2s1

C1CCN2CCc3cccnc3C2C1

CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1

NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1

CN(C1CCN2CCc3c(oc4ccccc34)C2C1)S(=O)(=O)CCO

CN([C@H]1CCN2CCc3c(oc4ccccc34)[C@H]2C1)S(=O)(=O)CCO

CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO

CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(c(OC)c1)[N+]([O-])=O |c:36,t:33|

CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|

CNC(=O)C1=C(C)NC(C)=C(C1c1ccc2OCOc2c1)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|

CCC1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(CC)N1)c1ccc(cc1)[N+]([O-])=O)C(N)=O |t:2,32|

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc2OCOc2c1 |c:36,t:33|

CC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:3,8|

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(C)cc1 |c:36,t:33|

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)C#N |c:36,t:33|

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc2ccccc2c1 |c:36,t:33|

CO\C(O)=C1\C(C(C(=O)N(C)CCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:37,t:34|

CC1=C(C#N)C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N1)c1ccc(cc1)[N+]([O-])=O |c:1,t:33|

COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(Cl)c(c1)[N+]([O-])=O |c:29,t:26|

CNC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|

CN(C)C(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:5,10|

COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1

CC(=O)C1=C(C)NC(C)=C(C1c1ccc2OCOc2c1)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:3,8|

CC(C)C1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(N1)C(C)C)c1ccc(cc1)[N+]([O-])=O)C(N)=O |c:33,t:3|

CC1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N1)c1ccc2OCOc2c1)C(N)=O |t:1,31|

CO\C(O)=C1\C(C(C(=O)NCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:35,t:32|

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:29,t:26|

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(Cl)cc1 |c:36,t:33|

CO\C(O)=C1\C(C(C(=O)NCCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:37,t:34|

CC1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N1)c1ccc2OCOc2c1)C(O)=O |t:1,31|

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(OC)cc1 |c:36,t:33|

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(Cl)c(Cl)c1 |c:36,t:33|

Brc1cccnc1N1CCNCC1

Clc1cnccc1N1CCNCC1

CN1CCN(CC1)c1ncccc1F

Clc1cnc(N2CCNCC2)c(Cl)c1

c1cc(c(nc1)N2CCNCC2)C(F)(F)F

Clc1cccc(n1)N1CCNCC1

Clc1ccc(nc1)N1CCNCC1

[O-][N+](=O)c1cccnc1N1CCNCC1

Ic1cccnc1N1CCNCC1

Cc1ccnc(N2CCNCC2)c1Cl

Clc1ccccc1N1CCNCC1

NC(=O)c1cccnc1N1CCNCC1

c1cc(c(nc1)N2CCNCC2)C#N

Nc1cccnc1N1CCNCC1

Clc1cccnc1N1CCNCC1

CN1CCN2C(C1)c1ccccc1Cc1ccccc21

CN1CCN(CC1)c1ncccc1Br

Clc1cccnc1N1CCN(Cc2ccccc2)CC1

CN1CCN(CC1)c1ncccc1Cl

C1CN(CCN1)c1ccccn1

CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:13,THB:10:9:8:6.5|

C(C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)Cc1ccccc1 |t:12,THB:9:8:7:5.4|

CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:11|

C(\C=C\c1ccccc1)[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:20,THB:16:15:14:12.11|

C([C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)c1ccccc1 |t:11,THB:8:7:6:3.4|

C(Cc1ccccc1)[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:17|

C([C@H]1CCCC[C@@H]1NC1=NCCO1)c1ccccc1 |t:9|

C1CN=C(N[C@H]2CCCC[C@@H]2c2ccccc2)O1 |t:2|

C(C[C@H]1CCCC[C@@H]1NC1=NCCO1)Cc1ccccc1 |t:10|

[H][C@]1(CN=CN1)C1C[C@@]11CCc2ccccc2C1 |c:3|

CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 |r|

C(C1CN=CN1)C1=Cc2ccccc2CC1 |c:3,t:7|

Fc1cccc2CCC(CC3CN=CN3)=Cc12 |c:12,15|

C(C1CN=CN1)c1cc2ccccc2o1 |c:3|

[H][C@]12CC[C@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6|

Clc1cccc2CCC(CC3CN=CN3)=Cc12 |c:12,15|

[H][C@]1(C[C@@]23CC2c2ccccc2CC3)CN=CN1 |c:18|

C(C1Cc2ccccc2C1)C1CN=CN1 |c:14|

Fc1ccc2CCC(CC3CN=CN3)=Cc2c1 |c:11,14|

Clc1cccc2ccc(CC3CN=CN3)cc12 |c:12|

O=S1(=O)CCCc2cccc(NCC3=NCCN3)c12 |t:13|

CSc1ccc(F)cc1NCC1=NCCN1 |t:12|

CSc1c(F)cccc1NCC1=NCCN1 |t:12|

CSc1cc(F)ccc1NCC1=NCCN1 |t:12|

CSc1ccc(C)cc1NCC1=NCCN1 |t:12|

CCS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:14|

CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 |t:14|

COc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:9|

CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 |t:14|

CS(=O)(=O)c1ccc(cc1NCC1=NCCN1)C(F)(F)F |t:13|

COc1ccc(SC)c(NCC2=NCCN2)c1 |t:11|

CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 |t:14|

CSc1ccc(cc1NCC1=NCCN1)C(F)(F)F |t:11|

CCSc1ccccc1NCC1=NCCN1

CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 |t:14|

CC(C)Sc1ccccc1NCC1=NCCN1

CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|

C[S+]([O-])c1ccccc1NCC1=NCCN1

CSc1ccc(Cl)cc1NCC1=NCCN1 |t:12|

CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 |t:14|

CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 |t:14|

Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8|

CCCS(=O)(=O)c1ccccc1NCC1=NCCN1

CSc1ccccc1NCC1=NCCN1 |t:11|

CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 |t:15|

CS(=O)(=O)Nc1ccc(F)c(c1)[C@@H](O)CN

CCS(=O)(=O)Nc1ccc2CCCC(c3c[nH]cn3)c2c1

CN(c1cccc2C(CCCc12)c1c[nH]cn1)S(C)(=O)=O

CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)c1c[nH]cn1

CCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1

CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|

CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1

Nc1cccc2C(CCCc12)c1c[nH]cn1

Oc1cccc2C(CCCc12)c1c[nH]cn1

FC(F)(F)C(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1

FC(F)(F)CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1

CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1

CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1

CCS(=O)(=O)Nc1cccc2C(CCc12)c1c[nH]cn1

COc1ccc(OC)c(c1)C(O)CN

CC(Oc1ccccc1-c1ccccc1)C1=NCCO1 |t:17|

CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 |t:17|

CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 |t:16|

CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 |t:18|

CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |t:18|

CC(Oc1ccccc1-c1ccccc1)C1=NCCS1 |t:17|

CC(Oc1ccccc1-c1ccncc1)C1=NCCN1 |t:17|

CC(Sc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|

CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 |t:18|

C1CN=C(N1)C1OC1c1ccccc1-c1ccccc1

CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|

CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 |t:18|

CC(Oc1ccccc1-c1cccc(C)c1)C1=NCCN1 |t:18|

CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|

C1CN=C(N1)C1OC1c1ccccc1-c1ccccc1 |c:2|

CC(Oc1ccccc1-c1ccccc1C)C1=NCCN1 |t:18|

CC(Oc1ccccc1-c1cccs1)C1=NCCN1 |t:16|

CC(Oc1ccccc1-c1ccccc1[N+]([O-])=O)C1=NCCN1 |t:20|

CC(Oc1ccccc1-c1ccc(C)cc1)C1=NCCN1 |t:18|

CC(Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|

CC(Oc1ccccc1-c1ccccn1)C1=NCCN1 |t:17|

CC(Oc1ccccc1-c1ccccc1)C1=NCCC1 |t:17|

CC(Oc1ccccc1-c1ccc(cc1)[N+]([O-])=O)C1=NCCN1 |t:20|

CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1 |t:18|

CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6|

CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl

CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r|

COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12

CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12

OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1

COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1

Fc1cccc2CCC3(CNC=N3)Cc12 |c:11|

NC1=NC2(CO1)CCc1cccc(Cl)c1C2 |t:1|

COc1ccc2CCC3(CNC=N3)Cc2c1 |c:11|

Clc1cc(Cl)c2CCC3(CNC=N3)Cc2c1 |c:11|

COc1cccc2CC3(CNC=N3)CCc12 |c:11|

FC(F)(F)c1ccc(Cl)c(c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1

COc1ccc2CC3(CNC=N3)CCc2c1 |c:10|

Cc1ccc2CCC3(CNC=N3)Cc2c1 |c:10|

COc1cccc2CCC3(CNC=N3)Cc12 |c:12|

C1NC=NC11CCc2ccccc2C1 |c:2|

COc1cccc(OC)c1OCCNCC1COc2ccccc2O1

O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1

COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1

COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1

C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14|

CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15|

C(Oc1ccccc1CC1CC1)C1=NCCN1 |t:14|

C1CN=C(N1)c1cc2ccccc2o1 |c:2|

CCCc1ccccc1OCC1=NCCN1 |t:12|

C=CCc1ccccc1OCC1=NCCN1 |t:12|

C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14|

C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|

C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|

CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|

C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|

C(Oc1ccccc1OC1CC1)C1=NCCN1 |t:14|

Brc1ccccc1OCC1=NCCN1 |t:10|

C[C@@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|

C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|

CC(Oc1ccccc1OC1CC1)C1=NCCN1 |t:15|

CC(Oc1ccccc1C1CC1)C1=NCCN1 |t:14|

CCCc1ccccc1OC(C)C1=NCCN1 |t:13|

CC(Oc1ccccc1Br)C1=NCCN1 |t:11|

[#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1ncc2ccccc12

Fc1ccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c2c1

Fc1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12

CC(C)NC[C@@H](COc1cccc2c1cccc2)O

CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|

CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|

[#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

[#6]-c1c(ccc2-[#7]-[#6]-[#6]-[#7]-c12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1

[#7]-c1cc(Cl)c(\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)c(Cl)c1

[#6]-c1c(ccc2-[#8]-[#6]-[#6]-[#7]-c12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1

CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|

CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|

CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|

Cc1c(Nc2ncc[nH]2)ccc2OCCOc12

COc1c(C)c(Nc2ncc[nH]2)c(C)cc1C(C)(C)C

Cc1c(Nc2ncc[nH]2)ccc2OCCNc12

COc1ccc(Nc2ncc[nH]2)c(C)c1

Brc1ccccc1Nc1ncc[nH]1

COc1ccc(Nc2ncc[nH]2)c(C)c1OC

N(c1ncc[nH]1)c1ccc2nc[nH]c2c1

Cc1c(Nc2ncc[nH]2)ccc2nccnc12

COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C

N(c1ncc[nH]1)c1ccc2nccnc2c1

Brc1c(Nc2ncc[nH]2)ccc2nccnc12

Clc1cccc(Cl)c1Nc1ncc[nH]1

COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1

COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1

COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12

CCOc1ccccc1OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC

CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|

c1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccccc1

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(Cc2ccccc2)N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:17|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1Cl)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C1Cc3ccccc3C1)C2=O)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(Cc1ccccc1)C2=O)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CC13CC4CC(CC(C4)C1)C3)C2=O)c1ccccc1 |c:9,TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|

CCOP(=O)(OCC)C1(Cc2ccc(F)cc2)N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:18|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccc(OC)cc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccc(F)cc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(OC)cc1 |c:9|

CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C)C2=O |c:9|

Cn1c(cc2ccccc12)C1=NCCN1 |t:12|

CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C1CCCCC1)C2=O |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cccc2ccccc12)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(cc1)C(F)(F)F)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CC)C2=O)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccc(F)cc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C)C2=O)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CCc1ccc(F)cc1)C2=O)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1 |c:9|

c1c[nH]c(n1)-c1cc2ccccc2o1

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cccnc1Cl)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccc(OC)cc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)cc1)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CCc1ccccc1)C2=O)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)C(C)(C)C)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(OC)cc1)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C1CCCCC1)C2=O)c1ccccc1 |c:9|

CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:9|

C1CN=C(N1)\C=C\c1ccccc1 |c:2|

FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1

[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|

[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|

[H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC

FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12

Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|

Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |(17.28,-55.18,;17.28,-53.64,;18.61,-52.87,;18.61,-51.33,;17.26,-50.56,;16.94,-49.07,;15.41,-48.91,;14.79,-50.31,;15.93,-51.33,;15.95,-52.87,;14.62,-53.65,;14.63,-55.19,;13.29,-55.96,;11.96,-55.19,;10.63,-55.96,;10.64,-57.5,;11.97,-58.26,;11.98,-59.81,;10.64,-60.59,;9.31,-59.81,;7.83,-60.29,;6.93,-59.04,;7.84,-57.79,;9.31,-58.27,;11.95,-53.66,;13.28,-52.88,;13.27,-51.34,;11.93,-50.58,;14.38,-50.56,;13.26,-49.79,)|

FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12

COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1

COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1

CCCN[C@H]1CCc2c(sc(n2)N)C1

Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10|

Cc1sc(C)c2C(CCCc12)c1cnc[nH]1

C1CC(c2cnc[nH]2)c2ccsc2C1

C1Cc2sccc2C(=C1)c1cnc[nH]1 |c:8|

C1Cc2ccsc2C(=C1)c1cnc[nH]1 |c:8|

c1cc2c(cccc2s1)-c1c[nH]cn1

CN1CCC2(CC1)N=C(C)C(=O)N(C2=O)c1c(C)cccc1C |t:8|

OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Cl)s1)-c1ccc(cc1)C1CCNCC1

CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30|

CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:29|

CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N |t:1|

CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |t:1|

CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:31|

CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:29|

CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1F |t:1|

CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |t:1|

C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|

Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12

OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F

COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1

COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12

COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1

COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)C2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|

NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

NCC1Cc2ccccc2CN1

c1cc2c(cc1[N+](=O)[O-])CN[C@H](C2)CO

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2Cc3ccc(cc3CN2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r|

NC(=O)C1Cc2ccccc2CN1

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2CNCc3ccccc23)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2CNCc3ccccc23)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2Cc3ccc(cc3CN2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r|

C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3

C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|

C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|

C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1

CN1CCN=C1Cc1cccnc1 |c:4|

[H][C@]12CCCC[C@]11CC(=C)CCN1Cc1ccc(OC)cc21 |r|

CC(=O)Nc1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1

CC(=O)Nc1ccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1

CC1COCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c12

C[C@@H](NC(=S)Nc1sc2COCCc2c1C(=O)OC(C)(C)C)c1ccccc1 |r|

OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|

COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|

COc1cc2OCC3C(CN4CCN(Cc5csc6ccccc56)CC4)ON=C3c2cc1OC |c:30|

COc1cc2OCC3C(CN4CCN(CC5=Cc6ccccc6C5)CC4)ON=C3c2cc1OC |c:30,t:15|

COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|

[H][C@@]12COc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C=C/c2ccccc2)CC1 |c:16|

COc1cc2OCC3C(CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|

COc1cc2OCC3C(CN4CCN(Cc5cnc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|

COc1ccc2C3=NOC(CN4CCN(C\C=C\c5ccccc5)CC4)C3COc2c1 |t:6|

COc1cc2OCC3C(CN4CCN(Cc5cccc6ccccc56)CC4)ON=C3c2cc1OC |c:31|

COc1cc2OCC3C(CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|

COc1cc2OCC3C(CN4CCN(CCCc5ccccc5)CC4)ON=C3c2cc1OC |c:28|

Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|

C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1 |c:17|

COc1cc2OCC3C(CN4CCN(CCC(=O)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|

COc1cc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|

COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12

COc1cc2OCC3C(CN4CCN(Cc5cc6ccccc6s5)CC4)ON=C3c2cc1OC |c:30|

COc1cc2OCC3C(CN4CCN(Cc5ccc6ncccc6c5)CC4)ON=C3c2cc1OC |c:31|

COc1cc2OCC3C(CN4CCN(Cc5ccccc5)CC4)ON=C3c2cc1OC |c:26|

COc1ccc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2c1 |c:29|

COc1cc2OCC3C(CN4CCN(CCc5ccccc5)CC4)ON=C3c2cc1OC |c:27|

[O-][N+](=O)C1=Cc2cc(I)ccc2OC1C(F)(F)F |t:3|

CC(C)(C)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:12|

CC(=O)NCC#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:13|

CC(C)(C)OC(=O)NCC#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:17|

OC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:18|

[O-][N+](=O)C1=Cc2cc(ccc2OC1C(F)(F)F)C#CCN1C(=O)c2ccccc2C1=O |t:3|

COc1ccc2c3CCNCc3[nH]c2c1

COc1ccc2c(c1)[nH]c1c(C)nccc21

CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)F)c1 |r|

Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C/c5ccccc5)CC4)ON=C3c2cc1OC |c:28|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(F)cc5F)CC4)ON=C3c2cc1OC |c:31|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccs5)CC4)ON=C3c2cc1OC |c:28|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccsc5)CC4)ON=C3c2cc1OC |c:28|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5OC)CC4)ON=C3c2cc1OC |c:31|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(O)cc5)CC4)ON=C3c2cc1OC |c:30|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccco5)CC4)ON=C3c2cc1OC |c:28|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5cccs5)CC4)ON=C3c2cc1OC |c:28|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cc(F)ccc5F)CC4)ON=C3c2cc1OC |c:31|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5F)CC4)ON=C3c2cc1OC |c:31|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5OC)CC4)ON=C3c2cc1OC |c:31|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccsc5)CC4)ON=C3c2cc1OC |c:28|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC |c:29|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccnc5)CC4)ON=C3c2cc1OC |c:29|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:29|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccc(Cl)cc5)CC4)ON=C3c2cc1OC |c:29|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccco5)CC4)ON=C3c2cc1OC |c:28|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC |c:30|

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5F)CC4)ON=C3c2cc1OC |c:29|

NCCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1Cc2cccnc2CN1)[C@H]1CCCc2cccnc12 |r|

CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)C1CCC(F)(F)CC1 |r|

C(CCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 |r|

CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)C1CCOCC1 |r|

C(CCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CNC1COC1 |r|

C(CCN1CCOCC1)CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|

c1ccc2c(c1)[nH]c(n2)CN(CCCCN)[C@H]3CCCc4c3nccc4

CC1Cc2ccc(cc2CN1)[N+]([O-])=O

[O-][N+](=O)c1ccc2CC(CF)NCc2c1

c1cc(c(c2c1CCNC2)Cl)Cl

FC(F)(F)C1Cc2ccc(Br)cc2CN1

c1cc2c(cc1S(=O)(=O)N)CNCC2

[O-][N+](=O)c1ccc2CCNCc2c1

[O-][N+](=O)c1ccc2CC(NCc2c1)C(F)(F)F

[O-][N+](=O)c1ccc2CC(NCc2c1)C(F)F

CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21

CN1CCN2C(C1)c1ccccc1Cc1cccnc21

CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21

CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21

CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|

CN(C)C[C@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21

CN(C)C[C@@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21

CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21

CN(C)C[C@H]1CC2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21

CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21

CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl

CN(C)C[C@H]1CC2[C@H](O1)c1ccccc1Cc1ccccc21

[H][C@@]12C=Cc3cc(OC)ccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:2,14|

[H][C@@]12CN(C(=O)NCC)c3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:17|

[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C=C(/C)c2ccccc2)CC1 |c:16|

[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:16|

[H][C@@]12CN(C)c3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(CCC\C(C)=C\c2ccccc2)CC1 |c:17|

[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(Cc2ccc(Cl)cc2)CC1 |c:16|

[H][C@@]12CN(C(=O)OCC)c3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:17|

[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(CCOc2ccc(F)cc2)CC1 |c:16|

[H][C@@]12COc3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:12|

[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:16|

[H][C@@]12CNc3ccccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:12|

[H][C@@]12CNc3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:12|

[H][C@@]12C=Cc3cc(OC)ccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:2,14|

[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C(C)=C\c2ccccc2)CC1 |c:16|

[H][C@@]12C=Cc3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:2,12|

[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(Cc2ccc3ncccc3c2)CC1 |c:16|

[H][C@@]12CN(C)c3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:13|

CC(=O)N1C[C@H]2[C@H](CN3CCN(CCC\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |c:28|

C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)c4ccncc4)ccc32)CC1)=C/c1ccccc1 |c:10|

COCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:9|

C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C=C)ccc32)CC1)=C/c1ccccc1 |c:10|

COCC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:10|

C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C4CC4)ccc32)CC1)=C/c1ccccc1 |c:10|

CCOCCOCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:13|

COc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:6|

CN(C)CCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:10|

C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(O)ccc32)CC1)=C/c1ccccc1 |c:10|

C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC4CCCC4)ccc32)CC1)=C/c1ccccc1 |c:10|

CC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:8|

C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C(C)(C)C)ccc32)CC1)=C/c1ccccc1 |c:10|

[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCN(C([2H])([2H])[2H])C(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]

[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCNC(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]

CN(C)c1nc(NC2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12

CN(C)c1nc(NCC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(-3.05,2.98,;-4.31,2.09,;-5.71,2.73,;-4.31,.55,;-2.96,-.23,;-2.94,-1.78,;-1.63,-2.55,;-.28,-1.78,;1.05,-2.55,;2.38,-1.78,;3.71,-2.58,;3.7,-4.12,;2.37,-4.88,;1.04,-4.09,;5.03,-4.89,;6.36,-4.12,;7.12,-5.45,;5.26,-3.02,;7.67,-3.3,;9.02,-4.05,;10.33,-3.25,;10.3,-1.69,;11.61,-.89,;8.94,-.97,;7.64,-1.77,;6.28,-1.04,;6.23,.51,;6.22,2.05,;4.68,.49,;7.76,.51,;-4.29,-2.57,;-5.64,-1.8,;-6.97,-2.57,;-8.3,-1.8,;-8.3,-.24,;-6.97,.53,;-5.64,-.24,)|

Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-3.12,3.75,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;9.64,-1.9,;7.78,-4.32,;10.2,-4.04,;11.55,-3.32,;12.86,-4.11,;12.82,-5.65,;14.12,-6.47,;11.46,-6.39,;10.16,-5.58,;8.8,-6.32,;8.76,-7.86,;7.22,-7.85,;10.3,-7.86,;8.75,-9.4,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)|

FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NCC1CCC(CNc2ncc3ccccc3n2)CC1 |(6.79,-3.41,;8.33,-3.41,;9.87,-3.41,;8.33,-4.95,;8.38,-1.87,;9.73,-1.15,;11.04,-1.96,;12.39,-1.22,;13.71,-2.03,;12.44,.33,;11.13,1.12,;9.78,.39,;8.47,1.2,;9.22,2.53,;7.37,.11,;7.14,1.97,;5.81,1.21,;4.48,2,;3.13,1.23,;1.8,2.01,;1.83,3.54,;.5,4.31,;-.84,3.56,;-2.16,4.31,;-2.17,5.87,;-3.52,6.65,;-4.85,5.87,;-6.2,6.62,;-7.53,5.87,;-7.53,4.31,;-6.2,3.54,;-4.85,4.31,;-3.51,3.54,;3.16,4.31,;4.49,3.54,)|

Nc1nc(NCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |(-3.12,3.75,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.9,;3.57,-.12,;4.91,-.91,;4.89,-2.45,;6.22,-3.23,;7.57,-2.46,;8.9,-3.25,;9.65,-1.9,;7.79,-4.33,;10.21,-4.05,;11.56,-3.32,;12.87,-4.12,;12.83,-5.66,;11.48,-6.4,;11.43,-7.93,;10.09,-8.67,;8.77,-7.86,;8.81,-6.31,;10.17,-5.59,;3.56,-3.21,;2.23,-2.44,;-3.1,-.9,;-4.45,-.12,;-5.78,-.9,;-7.12,-.12,;-7.12,1.42,;-5.78,2.19,;-4.45,1.42,)|

CN(C)c1nc(NC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(-4.36,.26,;-2.96,-.38,;-1.7,.51,;-2.94,-1.92,;-1.59,-2.69,;-1.58,-4.25,;-.26,-5.02,;1.07,-4.25,;1.06,-2.71,;2.39,-1.92,;3.72,-2.69,;3.73,-4.23,;2.4,-5.02,;5.06,-1.92,;6.39,-2.71,;7.15,-1.36,;5.3,-3.79,;7.7,-3.51,;9.05,-2.78,;10.36,-3.58,;10.32,-5.12,;11.63,-5.93,;8.97,-5.86,;7.66,-5.05,;6.31,-5.79,;6.26,-7.31,;6.25,-8.85,;4.72,-7.31,;7.8,-7.31,;-2.93,-5.02,;-4.27,-4.25,;-5.62,-5.02,;-6.95,-4.25,;-6.95,-2.71,;-5.62,-1.94,;-4.29,-2.71,)|

CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-5.24,-.68,;-3.84,-1.33,;-2.58,-.44,;-3.84,-2.87,;-2.49,-3.65,;-2.47,-5.2,;-1.16,-5.96,;.17,-5.19,;.16,-3.65,;1.49,-2.88,;2.83,-3.64,;4.16,-2.86,;5.49,-3.63,;6.82,-2.85,;7.58,-4.19,;5.73,-1.76,;8.13,-2.04,;9.48,-2.76,;10.79,-1.97,;10.76,-.43,;12.07,.39,;9.41,.3,;8.1,-.5,;6.74,.23,;6.7,1.77,;5.16,1.77,;8.24,1.77,;6.68,3.31,;2.83,-5.18,;1.5,-5.96,;-3.82,-5.98,;-5.17,-5.21,;-6.5,-5.98,;-7.83,-5.21,;-7.83,-3.66,;-6.5,-2.89,;-5.17,-3.66,)|

CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12 |(-4.52,4.4,;-3.12,3.75,;-1.82,4.59,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;10.2,-4.04,;7.78,-4.32,;9.64,-1.9,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)|

CN(C)c1nc(NCC2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12

FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NCC1CCC(CC1)Nc1ncc2ccccc2n1 |(8.97,4.75,;7.43,4.75,;7.42,6.29,;5.89,4.74,;7.47,3.21,;8.83,2.49,;10.13,3.28,;11.49,2.56,;12.79,3.36,;11.53,1,;10.22,.21,;8.87,.95,;7.56,.13,;6.45,1.23,;8.31,-1.2,;6.23,-.64,;4.88,.12,;3.55,-.66,;2.22,.11,;.89,-.68,;.91,-2.22,;2.24,-2.99,;3.57,-2.2,;-.42,-2.99,;-1.74,-2.22,;-1.75,-.66,;-3.1,.11,;-4.45,-.68,;-5.78,.09,;-7.11,-.68,;-7.11,-2.22,;-5.78,-2.99,;-4.43,-2.22,;-3.1,-2.99,)|

FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NC1CCC(CC1)Nc1ncc2ccccc2n1 |(8.56,3.94,;7.02,3.94,;7.01,5.48,;5.48,3.94,;7.07,2.4,;8.42,1.67,;9.73,2.47,;11.08,1.74,;12.4,2.56,;11.11,.2,;9.81,-.61,;8.45,.13,;7.15,-.68,;6.05,.41,;7.92,-2.01,;5.82,-1.45,;4.49,-.68,;3.15,-1.45,;1.82,-.68,;1.83,.86,;3.16,1.63,;4.49,.86,;.5,1.63,;-.82,.88,;-.83,-.68,;-2.19,-1.45,;-3.52,-.66,;-4.85,-1.43,;-6.18,-.66,;-6.18,.88,;-4.85,1.65,;-3.52,.88,;-2.16,1.65,)|

CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-1.86,4.64,;-3.12,3.75,;-4.52,4.4,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;10.2,-4.04,;11.55,-3.32,;12.86,-4.11,;12.82,-5.65,;14.12,-6.47,;11.46,-6.39,;10.16,-5.58,;8.8,-6.32,;8.76,-7.86,;7.22,-7.85,;10.3,-7.86,;8.75,-9.4,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)|

CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 |(14.22,-3.39,;12.86,-4.13,;11.56,-3.32,;10.2,-4.04,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;7.56,-2.46,;6.21,-3.23,;4.88,-2.45,;4.9,-.91,;3.57,-.12,;2.24,-.89,;.91,-.12,;-.44,-.89,;-1.75,-.12,;-1.77,1.44,;-3.12,2.21,;-3.12,3.75,;-4.52,4.4,;-1.82,4.59,;-4.45,1.42,;-5.78,2.19,;-7.11,1.42,;-7.11,-.12,;-5.78,-.89,;-4.45,-.12,;-3.1,-.89,;2.22,-2.43,;3.55,-3.2,)|

COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCC(=O)OCc1ccccc1

[#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1

[#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1

COc1cccc(c1)N(N=C1NCCO1)c1ccc(C)cc1 |w:9.9|

Cc1ccc(cc1)N(N=C1NCCO1)c1cccc(O)c1 |w:8.8|

Oc1cccc2C(=O)\C(CCc12)=C\c1ccccc1

Oc1cccc(\C=C2/CCc3c(O)cccc3C2=O)c1

Oc1ccc(\C=C2/CCc3c(O)cccc3C2=O)cc1

Nc1ncc(\C=C2/CCc3c(O)cccc3C2=O)cn1

COc1ccc(\C=C2/CCc3c(O)cccc3C2=O)cc1OC

COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1

C[C@@H](N)Cn1ncc2ccc(O)cc12

C[C@H](N)Cn1ncc2ccc(O)cc12

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

COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1

OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1

OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|

CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12

COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12

Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12

CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2N)c2ccccc12 |t:8|

COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:23|

CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2C)c2ccccc12 |t:8|

CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|

CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(F)cccc2C(F)(F)F)c2ccccc12 |t:8|

CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12 |t:8|

CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc3ccccc23)c2ccccc12 |t:8|

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(Cl)ccc23)cc1

Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C

CN1CCN(CC1)c1ccc(Nc2ccnc3ccccc23)cc1

CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3cc(Cl)ccc23)cc1

CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1

C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1

C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(CO)nc3ccccc23)cc1

CCN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1

CC(C)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1

CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1

CC1CN(CCN1C)c1ccc(Nc2c(C)cnc3ccccc23)cc1

Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C

CN1CCN(CC1)c1ccc(Nc2c(C)cncc2C)cc1

CN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1

CCc1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1

CN1CCN(CC1)c1ccc(Nc2cc(C)nc3ccccc23)cc1

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(Cl)c23)cc1

CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1

C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1

CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1

CCc1c(C)nc2CCCCc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1

CC1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1

C[C@@H]1CN(CCN1)c1ccc(Nc2c(CO)cnc3ccccc23)cc1

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3ccc(F)cc23)cc1

C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1

CCN(CC)CCNc1ccc(Nc2c(CC)c(C)nc3c(C)cccc23)cc1

CN1CCCN(C1)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)cc(C)c23)cc1

C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1

CN1CCN(CC1)c1ccc(Nc2c(C)c(C)nc3ccccc23)cc1

CCc1c(C)nc2c(C)cccc2c1Nc1ccc(cc1)N1CCCN(C)CC1

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)ccc(C)c23)cc1

CC(O)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1

CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(C)c23)cc1

C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1

CC1CN(CCN1C)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1

CC1CN(CCN1C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1

CN1CCN(CC1)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1

C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1

CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(Cl)c2cccnc12

CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12

C(CN1CCN(CC1)c1ccccn1)Cc1nc2ccccc2s1

[H][C@]12CNC[C@]1([H])CC(O)(C2)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|

CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1

[11CH3]OCc1cccnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1

COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccccc2)CC1

COCCOCCOc1ccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c(c1)-c1ccccc1

COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccc(cc2)-c2ccccc2)CC1

COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2ccccc2)CC1

COc1ccc(c(CNC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1)-c1ccccc1

FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N

C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|

C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|

C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|

C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|

CC(C)(C)Cc1c(sc(N)c1C(=O)c1ccc(Cl)cc1)C#Cc1ccc(F)c(F)c1

CCOC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

CC(C)OC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

CC(C)CCOC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(OC1CCCC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

CC(C)(C)OC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(OC[C@H]1CCCN1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(OC[C@@H]1CCCN1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

CNCCOC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(OC1CCNCC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(OC1CCCNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(OCC1CNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(OC[C@H]1CCN1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(OC[C@@H]1CCN1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(OC[C@@H]1CCNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(OC[C@H]1CCNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(O[C@@H]1CCNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(O[C@H]1CCNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(OC1CNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

N[C@H]1C[C@H](OC(=O)[C@@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5CCN4C[C@@H]3CC[C@@H]2O)C1

N[C@H]1C[C@@H](OC(=O)[C@@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5CCN4C[C@@H]3CC[C@@H]2O)C1

CN1CC[C@H](OC(=O)[C@@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5CCN4C[C@@H]3CC[C@@H]2O)C1

O=C(O[C@H]1CCOC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(OC1COC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(N[C@H]1CCNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

O=C(NC1CNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O

Oc1cccc(N2[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)c1

C[C@H](c1ccc(F)c(F)c1)n1cnc2sc3c(c2c1=O)CCNC3

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O

CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|

CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8

CC1=CC[C@@H]2C[C@H]1[C@H](c1ccnc3ccccc13)NC2(C)C

CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(F)c(C(F)(F)F)c1)NC2(C)C

CCCN1CCO[C@@H](C1)c1cccc(O)c1

COc1cc([Se]C(F)(F)F)c(OC)cc1CCN

C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|

CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1

C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1

C(CN1CCCN(CC2COc3ccccc3O2)CC1)OCc1cccnc1Oc1ccccc1

O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N

O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1

CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1

COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1

C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1

CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1

O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r|

CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1

O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1

O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1

C(C1COc2ccccc2C1)N1CCN(Cc2ccccc2)CC1

CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br

COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1

COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|

COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1

COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1

C1C(Cc2ccccc12)c1ncc[nH]1

C1Cc2nc[nH]c2CC1c1ccccc1

C1C(Cn2ccnc12)c1ccccc1

C1Cc2nccn2CC1c1ccccc1

COCc1c2CC[C@@H](c3ncc[nH]3)c2ccc1Cl |r|

N#Cc1ccccc1[C@@H]1Cc2nccn2C1 |r|

C1[C@H](Cn2ccnc12)c1ccccc1-c1ccccc1 |r|

C1[C@H](Cn2ccnc12)c1ccccc1-c1cncnc1 |r|

C1[C@H](Cn2ccnc12)c1ccccc1-c1ncco1 |r|

C1[C@@H](Cn2ccnc12)c1ccccc1-c1ncco1 |r|

CNC(=O)c1cccc(c1)-c1ccccc1[C@@H]1Cc2nccn2C1 |r|

Fc1ccc(C2Cc3nccn3C2)c(c1)-c1cncnc1

Fc1ccc(-c2cncnc2)c(c1)C1Cc2nccn2C1

Fc1cccc(-c2cncnc2)c1C1Cc2nccn2C1

Fc1ccc(C2Cc3nccn3C2)c(c1)-c1ncco1

Fc1ccc(-c2ncco2)c(c1)C1Cc2nccn2C1

Fc1ccc(C2Cc3nccn3C2)c(c1)-c1cc[nH]n1

Fc1ccc(C2Cc3nccn3C2)c(c1)-n1cccn1

C1[C@H](Cn2ccnc12)c1ccccc1-c1ccncc1 |r|

Cn1cc(cn1)-c1ccccc1[C@@H]1Cc2nccn2C1 |r|

C1[C@H](Cn2ccnc12)c1ccccc1-n1cccn1 |r|

CS(=O)(=O)Nc1cccc(c1)-c1ccccc1[C@@H]1Cc2nccn2C1 |r|

CNS(=O)(=O)CCc1ccccc1[C@@H]1Cc2nccn2C1 |r|

C1[C@H](Cn2ccnc12)c1ccccc1-c1nccs1 |r|

C1[C@H](Cn2ccnc12)c1ccccc1-c1cccnc1 |r|

O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1

CCN(CC)C(=O)[C@H]1CN[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:21|

CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21|

COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

Cc1ccc(cc1)N1CCN(CCCn2nc(C)c(C=C)c(N)c2=O)CC1

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|

CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)n1 |r,wU:13.16,10.9,(29.59,5.32,;28.26,4.54,;26.92,5.31,;28.26,3,;26.93,2.23,;26.93,.69,;25.6,-.08,;28.26,-.08,;29.6,.69,;30.94,-.08,;32.27,.69,;33.6,-.09,;34.93,.68,;34.93,2.22,;33.6,2.99,;32.26,2.22,;36.27,2.99,;37.6,2.21,;37.6,.67,;38.94,2.98,;40.26,2.2,;41.6,2.97,;41.6,4.51,;42.94,5.28,;40.26,5.28,;38.93,4.51,;29.6,2.24,)|

CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)n1 |r,wU:13.16,10.9,(28.39,-11.98,;27.06,-12.75,;25.72,-11.99,;27.06,-14.29,;25.73,-15.07,;25.73,-16.61,;24.4,-17.38,;27.07,-17.38,;28.4,-16.61,;29.74,-17.38,;31.07,-16.6,;32.4,-17.38,;33.73,-16.62,;33.74,-15.08,;32.4,-14.31,;31.06,-15.07,;35.07,-14.31,;36.4,-15.08,;36.4,-16.62,;37.74,-14.32,;37.73,-12.78,;39.06,-12.01,;40.4,-12.79,;41.74,-12.02,;40.4,-14.33,;41.73,-15.1,;39.07,-15.09,;28.4,-15.06,)|

CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1 |r,wU:13.16,10.9,(-7.5,-21.66,;-8.83,-22.43,;-10.16,-21.66,;-8.82,-23.97,;-10.15,-24.74,;-10.15,-26.29,;-11.5,-27.05,;-8.82,-27.06,;-7.48,-26.28,;-6.15,-27.05,;-4.82,-26.28,;-3.48,-27.06,;-2.16,-26.29,;-2.15,-24.75,;-3.48,-23.98,;-4.82,-24.75,;-.81,-23.99,;.52,-24.76,;.51,-26.3,;1.85,-23.99,;3.18,-24.77,;4.51,-24,;4.52,-22.46,;3.18,-21.69,;1.85,-22.46,;3.17,-20.15,;4.51,-19.38,;1.84,-19.38,;4.66,-20.55,;5.84,-24.78,;5.84,-26.32,;7.18,-24.01,;4.75,-25.86,;-7.49,-24.73,)|

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)ncc1C |r,wU:10.13,7.6,(12.45,-21.86,;11.11,-22.63,;9.78,-21.87,;11.12,-24.17,;12.45,-24.94,;12.46,-26.49,;13.79,-27.25,;15.13,-26.48,;16.46,-27.26,;17.79,-26.5,;17.79,-24.95,;16.46,-24.18,;15.12,-24.95,;19.13,-24.19,;20.46,-24.96,;20.46,-26.5,;21.8,-24.19,;21.79,-22.66,;23.12,-21.89,;24.46,-22.66,;24.46,-24.21,;25.79,-24.98,;23.12,-24.97,;11.12,-27.26,;9.79,-26.49,;9.79,-24.94,;8.46,-24.17,)|

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(C)cc2)ncc1C |r,wU:10.13,7.6,(30.97,-21.81,;29.64,-22.58,;28.3,-21.82,;29.64,-24.12,;30.98,-24.89,;30.98,-26.44,;32.32,-27.21,;33.65,-26.43,;34.98,-27.21,;36.31,-26.45,;36.32,-24.91,;34.98,-24.13,;33.64,-24.9,;37.65,-24.14,;38.98,-24.91,;38.98,-26.45,;40.32,-24.15,;41.64,-24.92,;42.98,-24.16,;42.98,-22.62,;44.32,-21.85,;41.64,-21.84,;40.31,-22.61,;29.65,-27.21,;28.31,-26.44,;28.31,-24.89,;26.98,-24.13,)|

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)ncc1C |r,wU:10.13,7.6,(-7.01,-30.72,;-8.34,-31.5,;-9.67,-30.73,;-8.33,-33.04,;-7,-33.8,;-6.99,-35.35,;-5.66,-36.12,;-4.33,-35.35,;-2.99,-36.13,;-1.67,-35.36,;-1.66,-33.82,;-2.99,-33.05,;-4.33,-33.82,;-.32,-33.05,;1.01,-33.83,;1,-35.37,;2.34,-33.06,;3.67,-33.84,;5,-33.07,;5.01,-31.53,;6.34,-30.76,;3.67,-30.76,;2.34,-31.53,;-8.33,-36.12,;-9.66,-35.35,;-9.66,-33.81,;-11,-33.04,)|

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)ncc1C |r,wU:10.13,7.6,(10.35,-30.66,;9.02,-31.44,;7.69,-30.67,;9.03,-32.98,;10.36,-33.74,;10.37,-35.29,;11.7,-36.06,;13.03,-35.29,;14.37,-36.07,;15.69,-35.3,;15.7,-33.76,;14.37,-32.99,;13.03,-33.76,;17.04,-32.99,;18.37,-33.77,;18.36,-35.31,;19.7,-33,;21.03,-33.78,;22.36,-33.01,;22.37,-31.47,;23.7,-30.7,;21.03,-30.7,;19.7,-31.47,;9.03,-36.06,;7.7,-35.29,;7.7,-33.75,;6.36,-32.98,)|

CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3ccc(F)c(F)c3)CC2)ncc1C |r,wU:7.6,10.10,(-5.16,-5.44,;-6.49,-6.21,;-7.82,-5.45,;-6.48,-7.75,;-5.15,-8.52,;-5.14,-10.07,;-3.81,-10.84,;-2.47,-10.06,;-1.14,-10.84,;.19,-10.08,;.19,-8.54,;1.53,-7.77,;2.86,-8.54,;4.19,-7.77,;4.2,-6.23,;5.53,-8.55,;5.53,-10.08,;6.86,-10.86,;8.19,-10.09,;9.52,-10.87,;8.2,-8.55,;9.53,-7.78,;6.85,-7.78,;-1.14,-7.76,;-2.48,-8.53,;-6.48,-10.84,;-7.81,-10.07,;-7.81,-8.52,;-9.15,-7.75,)|

CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C |r,wU:10.10,7.6,(-4.66,-23.98,;-5.99,-24.76,;-7.33,-23.99,;-5.98,-26.3,;-4.65,-27.06,;-4.64,-28.61,;-3.31,-29.38,;-1.98,-28.61,;-.65,-29.38,;.68,-28.62,;.69,-27.08,;2.02,-26.31,;3.36,-27.08,;4.69,-26.32,;4.7,-24.78,;6.02,-27.09,;7.35,-26.32,;8.69,-27.09,;8.69,-28.63,;7.36,-29.4,;6.03,-28.62,;7.35,-30.94,;6.01,-31.7,;8.68,-31.72,;5.86,-30.53,;10.03,-26.32,;11.36,-27.09,;10.03,-24.78,;10.43,-27.81,;-.65,-26.31,;-1.99,-27.07,;-5.98,-29.38,;-7.32,-28.61,;-7.31,-27.07,;-8.65,-26.3,)|

CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1

N[C@@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r|

O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1

COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|

COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|

C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|

C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|

C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |r|

C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1 |r|

COc1ccccc1-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|

C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1F |r|

C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1Cl |r|

C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|

C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C |r|

COc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|

C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|

C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|

Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1

CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |r,c:24|

COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1

COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1

COc1ccccc1N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1

COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1

COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1

COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1

COc1ccccc1N1CCN(CCCCCNC(=O)c2ccc3ccccc3c2)CC1

COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1

COc1ccccc1N1CCN(CCCCCCNC(=O)c2ccc3ccccc3c2)CC1

COc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1

Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r|

C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|

CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1

CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1

CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1

CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1ccccc1

CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12

O=S(=O)(c1n[nH]c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12

Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12

CC(C)n1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12

CC(C)Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12

O=S(=O)(c1nn(Cc2ccccc2)c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12

C1CNC(N1)=Nc1[nH]nc2ccccc12 |(1.21,-.87,;1.24,-2.41,;-.21,-2.92,;-1.14,-1.7,;-.27,-.43,;-2.68,-1.73,;-3.49,-.41,;-2.55,.82,;-3.42,2.08,;-4.9,1.65,;-6.21,2.45,;-7.56,1.72,;-7.61,.18,;-6.29,-.63,;-4.93,.11,)|

Clc1cccc2n[nH]c(N=C3NCCN3)c12 |(20.22,-2.74,;20.26,-1.21,;18.95,-.4,;18.99,1.14,;20.34,1.87,;21.66,1.07,;23.13,1.5,;24.01,.23,;23.07,-.99,;23.88,-2.31,;25.41,-2.28,;26.29,-1.01,;27.77,-1.45,;27.8,-2.99,;26.34,-3.5,;21.62,-.47,)|

Cc1cccc2n[nH]c(N=C3NCCN3)c12 |(-5.16,-15.24,;-5.12,-13.71,;-6.43,-12.91,;-6.38,-11.36,;-5.04,-10.63,;-3.72,-11.44,;-2.24,-11.01,;-1.37,-12.27,;-2.31,-13.49,;-1.5,-14.81,;.03,-14.78,;.91,-13.51,;2.39,-13.95,;2.42,-15.49,;.97,-16,;-3.76,-12.98,)|

Clc1cccc2c(N=C3NCCN3)[nH]nc12 |(13.68,-39.86,;13.64,-41.39,;12.29,-42.12,;12.25,-43.67,;13.56,-44.47,;14.92,-43.74,;16.37,-44.25,;17.18,-45.57,;18.71,-45.54,;19.59,-44.27,;21.07,-44.71,;21.09,-46.25,;19.64,-46.76,;17.3,-43.03,;16.43,-41.77,;14.95,-42.2,)|

Clc1cccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc12

[#6]-c1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12

Clc1cccc2cnn(\[#7]=[#6]-3/[#7]-[#6]-[#6]-[#7]-3)c12

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|

O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1cccc2ccccc12

Clc1cccc(c1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12

CC(C)c1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12

O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1ccc2ccccc2c1

NCCC(=O)Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12

O=C(Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1

OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4|

C(C1=NCCN1)n1ncc2ccccc12 |t:1|

Cc1cccc2cnn(CC3=NCCN3)c12 |t:10|

Clc1cccc2cnn(CC3=NCCN3)c12 |t:10|

CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|

CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|

CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|

CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|

CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|

CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|

CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|

CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|

CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1

COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1

Clc1ccccc1NCC1=NCCN1 |t:10|

Cc1ccc(cc1)N(CC1=NCCN1)C1CCCCC1 |t:10|

Oc1cccc(NCC2=NCCN2)c1 |t:8|

CN(CC1=NCCN1)c1ccc(C)cc1 |t:3|

Cc1ccc(cc1)N(CC1=NCCN1)c1ccccc1 |t:10|

Cc1ccc(NCC2=NCCN2)cc1 |t:7|

CCN(CC1=NCCN1)c1ccc(C)cc1 |t:4|

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(cc-12)-[#6](-[#8])=O |c:15|

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccccc-12 |c:15|

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(Cl)cc-12 |c:15|

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(-[#16]C(F)(F)F)cc-12

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]-[#6]-c2ccc(cc-12)C#N

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]=[#6]-c2ccc(cc-12)C#N |c:15|

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(Cl)cc-12

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccccc-12

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(Br)cc-12

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(-[#16]C(F)(F)F)cc-12 |c:15|

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(Br)cc-12 |c:15|

CN1CCN(CC1)c1ncc(C)n2ccnc12

Cc1cnc2c(ncc(C)n12)N1CCNCC1

C1CN2C=CN=C(N3CCNCC3)C2=N1 |c:3,15,t:5|

CCc1cnc2c(nccn12)N1CCNCC1

Brc1cnc(N2CCNCC2)c2nccn12

CC1CN=C2N1C=CN=C2N1CCNCC1 |c:3,7,9|

CN1CCN(CC1)c1nccn2ccnc12

CN1CCN(CC1)c1ncc(Br)n2ccnc12

Cl.Cl.Clc1cn2ccnc2c(n1)N1CCNCC1

Cc1cn2ccnc(N3CCNCC3)c2n1

Cc1cnc2c(nccn12)N1CCNCC1

Cc1cnc2c(nc(C)cn12)N1CCNCC1

CN1CCN(CC1)c1nccn2c(Br)cnc12

Cc1cnc(N2CCNCC2)c2nccn12

Brc1cnc2c(ncc(Br)n12)N1CCNCC1

CC(C)c1cnc2c(nccn12)N1CCNCC1

Clc1cnc2c(nccn12)N1CCNCC1

Cc1cn2ccnc2c(n1)N1CCNCC1

CCCc1cnc2c(nccn12)N1CCNCC1

CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1

CCCN(CCC)C1COc2cccc(OC)c2C1

CCCN(CCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1

CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1

CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1

CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1

CCCN(CCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1

CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1

CCCN(CCCCn1c2ncccc2oc1=O)C1COc2cccc(OC)c2C1

CCCN(CCNC(C)=O)C1COc2cccc(OC)c2C1

CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1

CCC[N+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1

COc1cccc2OCC(Cc12)N1CCCC1

CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1

CCCN(CCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1

c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O

COc1cccc2OCC(Cc12)NCCCCN1C(=O)CC2(CCCC2)CC1=O

CCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1

CCCN(CCCCN1CCCCC1)C1COc2cccc(OC)c2C1

CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1

CCCN(CCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1

CCCN(CCCON1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1

CCCN(CCCCN1CC2CCCC2C1=O)C1COc2cccc(OC)c2C1

CCCN(CCCCN1CCOCC1)C1COc2cccc(OC)c2C1

CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1

CCCN(CCC)C1COc2ccccc2C1

CCCN(CCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1

CCCN(CCC)C1COc2cccc(O)c2C1

CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(O)c2C1

COc1cccc2OCC(Cc12)NCCCCN1C(=O)c2ccccc2C1=O

CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1

CCCN(CCC)C1COc2ccc3ccccc3c2C1

O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12

CC(c1cnc[nH]1)c1cccc2ccccc12

OC(c1cnc[nH]1)c1cccc2ccccc12

OC(c1cnc[nH]1)(c1cccc2ccccc12)C(F)(F)F

CC(c1cnc[nH]1)c1cccc(C)c1C

O=C(c1cnc[nH]1)c1cccc2ccccc12

C(c1cnc[nH]1)c1cccc2ccccc12

COC(c1cnc[nH]1)c1cccc2ccccc12

COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|

COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|

COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|

COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9|

C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC

CCc1sc2ccc(Cl)c3CCN(C)Cc1c23

Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O

COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O

COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O

CN1CCc2c(Cl)ccc3oc(Br)c(C1)c23

CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O

COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|

CC(C)C1C2CCC(C2)C1N |TLB:10:9:8:5.6,THB:1:3:8:5.6|

[#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

COc1ccccc1N1CCN(C[C@@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1 |r,c:16,22|

COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(=O)Nc2ccccc32)CC1 |r,c:16|

COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1 |r,c:16,22|

COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1 |c:17|

COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1

[#6]-c1c(cccc1-c1ccccc1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1

CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45

CC(N)Cc1c[nH]c2ccc3OCCCc3c12

C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12

CN(C)c1nc(NC2CCC(CC2)NCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(8.32,-4.94,;6.98,-5.71,;5.64,-4.94,;6.98,-7.26,;8.32,-8.03,;8.32,-9.57,;9.66,-10.37,;10.76,-9.27,;10.76,-10.8,;12.07,-11.57,;13.42,-10.81,;13.42,-9.27,;12.09,-8.5,;14.75,-11.58,;16.09,-12.35,;17.42,-11.57,;17.4,-10.04,;18.73,-9.26,;20.07,-10.02,;21.4,-9.24,;20.08,-11.56,;18.76,-12.35,;18.76,-13.89,;20.09,-14.66,;21.61,-14.08,;21.32,-15.35,;20.37,-16.23,;6.98,-10.34,;5.64,-9.57,;4.31,-10.34,;2.98,-9.57,;2.98,-8.04,;4.31,-7.26,;5.64,-8.03,)|

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)nc2ccccc12 |wU:10.13,7.6,(-2.22,2.73,;-.88,1.98,;.45,2.75,;-.88,.44,;.47,-.33,;.47,-1.87,;1.8,-2.64,;3.13,-1.87,;4.48,-2.64,;5.81,-1.87,;5.81,-.33,;4.46,.44,;3.13,-.33,;7.15,.44,;8.48,-.33,;8.48,-1.87,;9.81,.44,;11.14,-.33,;12.47,.44,;12.47,1.98,;11.13,2.75,;11.13,4.29,;9.81,1.96,;-.86,-2.66,;-2.19,-1.89,;-3.54,-2.67,;-4.87,-1.9,;-4.87,-.35,;-3.54,.42,;-2.19,-.35,)|

CN(C)c1nc(NC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)C(F)(F)F)nc2ccccc12 |wU:10.13,7.6,(2.19,2.63,;.86,1.86,;-.48,2.61,;.87,.32,;2.2,-.45,;2.22,-1.99,;3.55,-2.75,;4.88,-1.99,;6.21,-2.76,;7.54,-1.99,;7.54,-.45,;6.21,.32,;4.88,-.45,;8.89,.32,;10.22,-.45,;10.22,-1.99,;11.55,.32,;12.89,-.45,;14.22,.32,;14.22,1.86,;12.86,2.63,;11.55,1.84,;12.86,4.17,;12.86,5.57,;14.1,5.18,;11.62,5.17,;.89,-2.78,;-.46,-2.01,;-1.79,-2.78,;-3.12,-2.01,;-3.12,-.47,;-1.79,.3,;-.46,-.47,)|

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc12 |wU:10.13,7.6,(-2.35,4.13,;-3.68,3.35,;-5.01,4.12,;-3.68,1.81,;-2.33,1.05,;-2.33,-.5,;-1,-1.24,;.35,-.49,;1.69,-1.27,;3.02,-.5,;3.02,1.04,;1.68,1.81,;.33,1.04,;4.35,1.81,;5.68,1.04,;5.68,-.5,;7.01,1.81,;8.35,1.04,;9.68,1.81,;9.68,3.35,;11.01,4.12,;8.34,4.12,;8.34,5.66,;7.01,3.35,;-3.66,-1.27,;-4.99,-.5,;-6.32,-1.28,;-7.65,-.51,;-7.65,1.03,;-6.32,1.81,;-4.99,1.04,)|

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2F)nc2ccccc12 |wU:10.13,7.6,(-4.15,2.37,;-2.8,1.6,;-1.47,2.38,;-2.79,.06,;-1.46,-.7,;-1.45,-2.25,;-.12,-2.99,;1.22,-2.24,;2.55,-3.02,;3.88,-2.25,;3.88,-.71,;2.55,.06,;1.21,-.71,;5.23,.06,;6.56,-.71,;6.56,-2.25,;7.89,.06,;9.22,-.71,;10.55,.06,;10.55,1.6,;11.88,2.37,;9.2,2.37,;9.2,3.91,;7.89,1.6,;6.54,2.37,;-2.78,-3.02,;-4.12,-2.25,;-5.45,-3.03,;-6.78,-2.26,;-6.78,-.72,;-5.45,.06,;-4.12,-.71,)|

CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |wU:8.7,wD:11.11,(2.23,-6.29,;3.56,-7.05,;4.89,-6.27,;3.58,-8.59,;4.92,-9.36,;4.92,-10.9,;6.27,-11.68,;7.6,-10.9,;8.93,-11.68,;10.25,-10.9,;11.58,-11.68,;11.57,-13.22,;12.91,-13.99,;13.99,-12.89,;15.32,-13.66,;16.42,-14.76,;13.99,-14.43,;16.66,-12.89,;16.65,-11.35,;17.96,-10.57,;19.32,-11.32,;20.65,-10.55,;19.32,-12.87,;18,-13.65,;18,-15.2,;19.48,-15.6,;20.84,-15.95,;20.14,-17.05,;20.79,-14.64,;10.24,-13.97,;8.92,-13.21,;3.59,-11.69,;2.25,-10.92,;.91,-11.7,;-.42,-10.93,;-.42,-9.38,;.91,-8.6,;2.25,-9.38,)|

CN(C)c1nc(NC2CCC(CC2)NC(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12

CN(C)c1nc(NC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(9.05,-31.64,;7.7,-32.41,;6.37,-31.64,;7.7,-33.96,;9.05,-34.73,;9.05,-36.27,;10.39,-37.07,;11.49,-35.97,;11.48,-37.5,;12.8,-38.28,;14.15,-37.51,;15.48,-38.28,;16.81,-37.51,;18.14,-38.28,;19.48,-37.49,;19.46,-35.97,;20.79,-35.17,;22.13,-35.95,;23.46,-35.17,;22.14,-37.49,;20.82,-38.26,;20.82,-39.8,;22.15,-40.58,;23.67,-39.99,;23.38,-41.28,;22.42,-42.17,;14.15,-35.97,;12.81,-35.2,;7.7,-37.04,;6.37,-36.27,;5.03,-37.04,;3.7,-36.27,;3.7,-34.75,;5.03,-33.96,;6.37,-34.73,)|

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)C#N)nc2ccccc12 |wU:10.13,7.6,(-2.35,2.79,;-1.02,2.02,;.31,2.8,;-1,.48,;.33,-.28,;.33,-1.83,;1.66,-2.57,;3.01,-1.82,;4.35,-2.6,;5.68,-1.83,;5.68,-.29,;4.32,.48,;2.99,-.29,;7.01,.48,;8.34,-.29,;8.34,-1.83,;9.67,.48,;11.01,-.29,;12.34,.48,;12.34,2.02,;11,2.79,;9.67,2.02,;11,4.33,;10.99,5.87,;-1,-2.6,;-2.33,-1.83,;-3.68,-2.61,;-4.99,-1.84,;-4.99,-.29,;-3.68,.48,;-2.33,-.29,)|

CN(CC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1)Cc1ccc(Br)cc1OC(F)(F)F |(4.32,-25.77,;4.33,-27.31,;3,-28.08,;1.66,-27.31,;1.66,-25.77,;.33,-25,;-1,-25.77,;-2.33,-25,;-3.66,-25.77,;-4.99,-24.99,;-4.99,-23.45,;-6.34,-22.67,;-6.34,-21.14,;-7.67,-20.37,;-4.99,-20.37,;-7.67,-23.45,;-9,-22.67,;-10.33,-23.45,;-10.33,-24.99,;-9,-25.76,;-7.67,-24.99,;-6.34,-25.76,;-1,-27.31,;.33,-28.08,;5.66,-28.08,;6.99,-27.31,;6.96,-25.77,;8.29,-24.98,;9.64,-25.75,;10.97,-24.97,;9.65,-27.29,;8.32,-28.06,;8.32,-29.6,;9.66,-30.37,;10.88,-31.07,;9.93,-31.96,;11.16,-29.79,)|

CN(C)c1nc(N[C@@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |wU:7.6,10.10,(-1.09,4.52,;-2.42,3.73,;-3.75,4.5,;-2.4,2.19,;-1.07,1.44,;-1.07,-.12,;.28,-.89,;1.62,-.12,;2.92,-.89,;4.25,-.12,;4.27,1.4,;5.61,2.16,;6.94,1.39,;8.27,2.17,;9.6,2.96,;6.93,2.94,;9.75,1.79,;9.76,.25,;11.11,-.51,;12.42,.27,;13.77,-.5,;12.42,1.81,;11.07,2.57,;11.06,4.12,;12.39,4.89,;13.89,4.33,;12.63,6.48,;13.59,5.6,;2.95,2.19,;1.62,1.42,;-2.4,-.89,;-3.73,-.12,;-5.06,-.89,;-6.39,-.12,;-6.39,1.42,;-5.06,2.19,;-3.73,1.42,)|

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Cl)c2)nc2ccccc12 |wU:10.13,7.6,(1.9,3.91,;.57,3.14,;-.76,3.9,;.58,1.6,;1.92,.83,;1.92,-.71,;3.25,-1.47,;4.6,-.71,;5.93,-1.48,;7.26,-.71,;7.26,.83,;5.93,1.6,;4.58,.83,;8.59,1.6,;9.92,.83,;9.92,-.71,;11.25,1.6,;12.6,.83,;13.93,1.6,;13.93,3.14,;12.58,3.91,;12.58,5.45,;11.25,3.13,;.59,-1.49,;-.74,-.72,;-2.08,-1.5,;-3.41,-.73,;-3.41,.82,;-2.08,1.59,;-.74,.82,)|

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Br)c2)nc2ccccc12 |wU:10.13,7.6,(.45,2.75,;-.88,1.98,;-2.22,2.73,;-.88,.44,;.47,-.33,;.47,-1.87,;1.8,-2.64,;3.13,-1.87,;4.48,-2.64,;5.81,-1.87,;5.81,-.33,;4.46,.44,;3.13,-.33,;7.15,.44,;8.48,-.33,;8.48,-1.87,;9.81,.44,;11.14,-.33,;12.47,.44,;12.47,1.98,;11.13,2.75,;11.13,4.29,;9.81,1.96,;-.86,-2.66,;-2.19,-1.89,;-3.54,-2.67,;-4.87,-1.9,;-4.87,-.35,;-3.54,.42,;-2.19,-.35,)|

CN(C)c1nc(N[C@H]2CC[C@H](CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |wU:7.6,10.13,(1.6,-1.57,;2.94,-2.34,;4.28,-1.57,;2.95,-3.89,;4.28,-4.66,;4.3,-6.2,;5.64,-6.97,;6.97,-6.2,;6.99,-4.68,;8.3,-3.91,;9.63,-4.68,;9.63,-6.22,;8.3,-6.97,;10.97,-3.91,;12.3,-3.14,;13.63,-2.34,;10.8,-2.74,;13.79,-3.51,;13.79,-5.06,;15.14,-5.83,;16.46,-5.06,;17.81,-5.8,;16.46,-3.49,;15.1,-2.74,;15.09,-1.2,;16.43,-.41,;16.69,1.18,;17.65,.3,;17.93,-.97,;2.97,-6.97,;1.62,-6.2,;.29,-6.99,;-1.04,-6.22,;-1.04,-4.68,;.29,-3.89,;1.62,-4.66,)|

CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-6.25,5.67,;-7.59,4.9,;-8.94,5.67,;-7.59,3.36,;-6.25,2.59,;-6.25,1.04,;-4.9,.25,;-3.57,1.03,;-2.24,.26,;-2.24,-1.27,;-.93,-2.04,;.42,-1.29,;1.75,-2.06,;3.08,-1.29,;3.07,.26,;4.42,-2.06,;4.4,-3.6,;4.4,-.51,;5.75,-1.27,;5.73,.26,;7.06,1.04,;8.4,.28,;9.73,1.07,;8.41,-1.26,;7.09,-2.04,;7.09,-3.58,;8.42,-4.35,;9.65,-5.05,;8.69,-5.93,;9.94,-3.77,;.42,.25,;-.91,1.03,;-7.59,.27,;-8.92,1.04,;-10.25,.27,;-11.59,1.04,;-11.59,2.57,;-10.25,3.36,;-8.92,2.59,)|

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)nc2ccccc12 |wU:10.13,7.6,(-.37,3.9,;.98,3.14,;2.31,3.91,;.99,1.6,;2.32,.83,;2.33,-.71,;3.66,-1.47,;5,-.71,;6.33,-1.48,;7.66,-.71,;7.66,.83,;6.33,1.6,;4.99,.83,;9.01,1.6,;10.34,.83,;10.34,-.71,;11.67,1.6,;11.67,3.13,;12.98,3.91,;14.33,3.14,;15.66,3.91,;14.33,1.6,;13,.83,;1,-1.49,;-.34,-.72,;-1.67,-1.5,;-3,-.73,;-3,.82,;-1.67,1.59,;-.34,.82,)|

COc1cc(OC)cc(c1)C(=O)N[C@H]1CC[C@H](CC1)Nc1nc(N(C)C)c2ccccc2n1 |wU:13.13,16.20,(10.67,4.4,;9.34,3.62,;9.34,2.08,;10.69,1.31,;10.69,-.23,;12.02,-1,;13.35,-.22,;9.36,-1,;8.01,-.23,;8.01,1.3,;6.68,-1,;6.68,-2.54,;5.35,-.23,;4.02,-1,;4.02,-2.54,;2.69,-3.31,;1.35,-2.53,;1.34,-1,;2.68,-.23,;.01,-3.3,;-1.32,-2.54,;-1.32,-.99,;-2.66,-.23,;-2.68,1.31,;-1.35,2.09,;-4.01,2.07,;-3.98,-1.01,;-5.32,-.24,;-6.65,-1.01,;-6.65,-2.55,;-5.32,-3.32,;-3.98,-2.55,;-2.65,-3.32,)|

CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-6.75,-12.89,;-5.42,-13.66,;-4.07,-12.89,;-5.42,-15.21,;-4.07,-15.98,;-4.07,-17.52,;-2.73,-18.32,;-1.39,-17.54,;-.06,-18.31,;1.27,-17.54,;2.6,-18.32,;2.6,-19.86,;3.94,-20.63,;5.27,-19.85,;6.6,-20.62,;7.93,-19.84,;7.91,-18.31,;9.24,-17.52,;10.59,-18.28,;11.92,-17.5,;10.6,-19.83,;9.27,-20.61,;9.27,-22.15,;10.62,-22.92,;11.84,-23.62,;10.88,-24.5,;12.12,-22.34,;1.26,-20.61,;-.06,-19.84,;-5.42,-18.29,;-6.75,-17.52,;-8.08,-18.29,;-9.41,-17.52,;-9.41,-15.99,;-8.08,-15.21,;-6.75,-15.98,)|

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(F)c2)nc2ccccc12 |wU:10.13,7.6,(1.73,2.57,;.4,1.79,;-.93,2.56,;.4,.25,;1.75,-.51,;1.76,-2.06,;3.09,-2.81,;4.42,-2.05,;5.76,-2.83,;7.09,-2.06,;7.09,-.52,;5.75,.25,;4.42,-.52,;8.43,.25,;9.76,-.52,;9.76,-2.06,;11.09,.25,;12.42,-.52,;13.75,.25,;13.75,1.79,;12.41,2.56,;12.41,4.1,;11.09,1.79,;.43,-2.83,;-.91,-2.06,;-2.26,-2.85,;-3.59,-2.08,;-3.59,-.54,;-2.26,.25,;-.91,-.52,)|

CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-4.27,-8.45,;-5.61,-9.22,;-6.96,-8.45,;-5.61,-10.76,;-4.27,-11.54,;-4.27,-13.08,;-2.92,-13.87,;-1.59,-13.09,;-.26,-13.87,;-.27,-15.39,;1.06,-16.16,;2.39,-15.42,;3.73,-16.19,;5.06,-15.41,;6.39,-16.18,;6.39,-17.72,;7.72,-15.39,;7.72,-13.87,;9.03,-13.08,;10.39,-13.84,;11.72,-13.05,;10.39,-15.39,;9.07,-16.16,;9.07,-17.71,;10.41,-18.48,;11.63,-19.17,;10.67,-20.06,;11.92,-17.89,;2.39,-13.87,;1.06,-13.09,;-5.61,-13.85,;-6.94,-13.08,;-8.28,-13.85,;-9.63,-13.08,;-9.63,-11.55,;-8.28,-10.76,;-6.94,-11.54,)|

CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12 |wU:10.13,7.6,(-2.82,1.96,;-1.49,1.21,;-.16,1.98,;-1.47,-.33,;-.13,-1.1,;-.13,-2.64,;1.2,-3.41,;2.54,-2.64,;3.88,-3.41,;5.21,-2.64,;5.21,-1.1,;3.86,-.33,;2.53,-1.1,;6.54,-.33,;7.87,-1.1,;7.87,-2.64,;9.2,-.33,;10.55,-1.1,;11.88,-.33,;11.88,1.21,;10.53,1.98,;9.2,1.19,;10.53,3.52,;11.85,4.29,;9.19,4.27,;-1.46,-3.43,;-2.79,-2.66,;-4.13,-3.44,;-5.46,-2.67,;-5.46,-1.12,;-4.13,-.35,;-2.79,-1.12,)|

CN(C)c1nc(NC2CCN(Cc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O

Oc1cc2OCC3NCc4ccccc4C3c2cc1O

COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29|

COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29|

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3F)Cc2cc1OC

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccn3)Cc2cc1OC

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)N3CCC(CC3)N3CCCC3)Cc2cc1OC

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3)Cc2cc1OC

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3C(F)(F)F)Cc2cc1OC

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccco3)Cc2cc1OC

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCC(C)(C)N)Cc2cc1OC

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCCN(C)C)Cc2cc1OC

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NC3CN4CCC3CC4)Cc2cc1OC |w:23.24,TEB:22:23:26.27:30.29,(16.31,-37.39,;14.97,-38.15,;13.64,-37.38,;12.31,-38.14,;10.99,-37.37,;9.65,-38.14,;8.33,-37.37,;8.32,-35.83,;6.99,-35.06,;6.99,-33.52,;5.66,-32.75,;5.66,-31.2,;6.99,-30.43,;6.98,-28.9,;5.64,-28.13,;8.32,-31.2,;9.8,-30.71,;10.72,-31.96,;9.81,-33.22,;8.33,-32.75,;12.26,-31.95,;13.03,-33.28,;13.02,-30.61,;14.56,-30.63,;15.38,-31.75,;16.42,-30.44,;17.92,-30.34,;17.02,-29.25,;15.54,-29.36,;14.82,-27.89,;15.74,-28.65,;9.66,-35.05,;10.99,-35.83,;12.32,-35.07,;13.64,-35.84,;14.98,-35.08,;16.31,-35.85,)|

COc1cccc(c1)-c1cc2c(CN3CCc4cc(OC)c(OC)cc4C3)ccc(OC)c2o1

COc1cc2CCN(Cc3cnc(N)n4nc(nc34)-c3ccco3)Cc2cc1OC

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3cccc(c3)C(=O)NCCN(C)C)Cc2cc1OC

COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1

Cn1nccc1-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|

Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1

C1Cc2c(cccc2-c2cn[nH]c2)C1c1ncc[nH]1 |w:13.16|

C1Cc2c(cccc2-c2cc[nH]n2)C1c1ncc[nH]1

CS(=O)(=O)Nc1c(Cl)ccc2C(CCCc12)c1ncc[nH]1

COc1c2CCC(c3ncc[nH]3)c2ccc1C |w:6.6|

COc1cccc2C(CCc12)c1ncc[nH]1 |w:7.12|

CNC(=O)c1cccc2C(CCc12)c1ncc[nH]1 |w:9.14|

CS(=O)(=O)Nc1cccc2C(CCCc12)c1ncc[nH]1 |w:10.16|

CCS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1 |w:11.16|

CS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1 |w:10.15|

C1CC(c2ncc[nH]2)c2ccccc2C1 |w:2.2|

Clc1ccc2C(CCc2c1-c1cn[nH]c1)c1ncc[nH]1

Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O |t:5|

Cc1oncc1-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|

C1Cc2c(cccc2-c2nccs2)C1c1ncc[nH]1 |w:13.16|

C1Cc2c(cccc2-c2ncco2)C1c1ncc[nH]1 |w:13.16|

C1Cc2c(cccc2-c2cccnc2)C1c1ncc[nH]1 |w:14.17|

C1Cc2c(cccc2-c2ccccn2)C1c1ncc[nH]1 |w:14.17|

Cn1ccc(n1)-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|

Cn1cc(cn1)-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|

Clc1ccc2C(CCc2c1-c1cc[nH]n1)c1ncc[nH]1

CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 |c:5|

CN(C)CCC1=C(C)Cc2ccc(cc12)S(=O)(=O)Nc1cccc2ccccc12 |c:5|

CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5|

CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |c:5|

CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3csc4ccccc34)cc12 |c:5|

COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23

O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1

CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1

Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N

CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 |r|

COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1

CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r|

COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1

CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC

Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCNCC1 |c:13|

Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(CCc2ccccc2)CC1 |c:13|

Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(CC1)C1CCCCC1 |c:13|

OCCOCCN1CCN(CC1)C1=Nc2cc(Cl)ccc2Oc2ncccc12 |t:13|

CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Oc2ncccc12 |t:8|

C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1

C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|

O=C(NC1CCCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1

CN(C)C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1

C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|

C[C@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|

CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r|

C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1 |r|

C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|

CC1CNC(N1)=Nc1c(Cl)cccc1Cl |w:6.7|

CC1COC(N1)=NC(C1CC1)C1CC1 |w:6.7|

Clc1ccccc1N=C1CCCN1 |w:7.7|

CC1CCC(N1)=Nc1ccccc1Cl |w:6.7|

CC1CCC(N1)=Nc1ccc(I)cc1Cl |w:6.7|

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|

CCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O

Cc1c(oc2ccccc12)C(=O)N(CCCN1CCCCC1)c1ccccc1

COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC

COc1ccc2c(C)c(oc2c1)C(=O)N(CCCN1CCCCC1)c1ccccc1

Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1

Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1

Cc1cc(C)n2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O

Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12

Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1

Cc1ccn2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O

COc1cccn2c1nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O

Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

Cc1nc2c(Cl)cc(cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1)C(F)(F)F

Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1

COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC

Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1

Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1

CN(C)CCC1CC2N(O1)c1ccccc1Cc1ccccc21

CNCC1CC2N(O1)c1ccccc1Cc1ccccc21

CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21

CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccc(F)cc21

CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21

CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21

CN(C)CC1CC2N(O1)c1cc(C)ccc1Cc1ccccc21

CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1

CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 |t:17|

C1CN=C(N1)C(Oc1ccccc1-c1ccccc1)c1ccccc1 |c:2|

CC(Oc1ccccc1C1CCCC1)C1=NCCN1 |t:16|

CC(Oc1ccccc1CN=O)C1=NCCN1 |t:13|

CC(Oc1ccccc1)C1=NCCN1 |t:10|

COC1(COc2cccc(-c3ccccc3)c2O1)C1=NCCN1 |t:21|

COC1(COc2c(O1)cccc2-c1ccccc1)C1=NCCN1 |t:21|

C1CN=C(N1)C1COc2cccc(-c3ccccc3)c2O1 |c:2|

C1CN=C(N1)C1COc2ccc(cc2O1)-c1ccccc1 |c:2|

C1CN=C(N1)C1COc2cc(ccc2O1)-c1ccccc1 |c:2|

C1CN=C(N1)C1COc2c(O1)cccc2-c1ccccc1 |c:2|

CC(Oc1ccccc1\C=N\OCc1ccccc1)C1=NCCN1 |t:21|

CCO\N=C\c1ccccc1OC(C)C1=NCCN1 |t:15|

C1CN=C(N1)C(Oc1ccccc1)c1ccccc1 |c:2|

CO\N=C\c1ccccc1OC(C)C1=NCCN1 |t:14|

CC(OC1=NCCN1)c1ccccc1 |t:3|

CC(OC1=NCCN1)c1ccccc1CC=C |t:3|

CC(OC1=NCCN1)c1ccccc1C |t:3|

CCCc1ccccc1C(C)OC1=NCCN1 |t:13|

CC(OC1=NCCN1)c1ccccc1C1CC1 |t:3|

CCCc1ccccc1COC1=NCCN1 |t:12|

Cc1ccccc1COC1=NCCN1 |t:10|

C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

CCC1(Cc2ccc(F)cc2C1)c1cnc[nH]1

C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|

CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

CO[C@@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

C1CC11c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

CC1(C)[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|

CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|

CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|

C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|

C[C@]12C[C@]1(Cc1ccccc21)c1cnc[nH]1 |r|

C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 |r,t:16|

C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 |r,t:16|

C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |r,t:18|

C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |r,t:18|

CCc1cccc(CC)c1OC(C)C1=NCCN1 |t:14|

CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |t:12|

CC(Oc1ccccc1C(C)=O)C1=NCCN1 |t:13|

CC(Oc1ccccc1C=O)C1=NCCN1 |t:12|

CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 |t:14|

CC(Oc1c(C)cccc1C)C1=NCCN1 |t:12|

CC(Oc1c(cccc1-c1ccccc1)-c1ccccc1)C1=NCCN1 |t:24|

CC(Oc1ccccc1Cl)C1=NCCN1 |t:11|

CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 |t:14|

CC(Oc1ccccc1C(C)=C)C1=NCCN1 |t:13|

CCOc1ccccc1OC(C)C1=NCCN1 |t:13|

CC(C)Oc1ccccc1OC(C)C1=NCCN1 |t:14|

COc1ccccc1OC(C)C1=NCCN1 |t:12|

CC(Oc1c(CC=C)cccc1CC=C)C1=NCCN1 |t:16|

CC(C)c1ccccc1OC(C)C1=NCCN1 |t:13|

CCc1ccccc1OC(C)C1=NCCN1 |t:12|

C1CN=C(N1)[C@@H]1CO[C@@H](CO1)c1ccccc1 |r,c:2|

C1CN=C(N1)[C@@H]1CO[C@H](CO1)c1ccccc1 |r,c:2|

C1CN=C(N1)[C@@H]1COC[C@@H](O1)c1ccccc1 |r,c:2|

C1CN=C(N1)[C@@H]1COC[C@H](O1)c1ccccc1 |r,c:2|

C1CN=C(N1)C1COC(CO1)(c1ccccc1)c1ccccc1 |c:2|

C1CN=C(N1)C1COCC(O1)(c1ccccc1)c1ccccc1 |c:2|

C1CN=C(N1)[C@H]1CO[C@@H](CO1)c1ccccc1 |r,c:2|

CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21

CN(C)CC1CC2N(O1)c1ccccc1Cc1ncccc21

C(CN1CCN(CC1)c1ncccn1)Cc1nc2ccccc2s1

Clc1cccc(Cl)c1NC1=NCCN1

CCOc2ccc(/N=C(N)/NCc1ccco1)cc2

CN(C)c2ccc(/N=C(N)/NCc1ccco1)cc2

N=C(NCc1ccco1)Nc1ccc2CCCCc2c1

CCNc2ccc(/N=C(N)/NCc1ccco1)cc2

N=C(NCc1ccco1)Nc1ccc2OCOc2c1

CCOc1ccc(NC(=N)NCCO)cc1

CN(C)c1ccc(NC(=N)NCCO)cc1

OCCNC(=N)Nc1ccc2CCCCc2c1

CCNc1ccc(NC(=N)NCCO)cc1

OCCNC(=N)Nc1ccc2OCOc2c1

CCOc1ccc(NC(=N)Nc2ccccc2)cc1

CN(C)c1ccc(NC(=N)Nc2ccccc2)cc1

CC2CN/C(=N\c1ccc(N(C)C)cc1)N2

CC3CN/C(=N\c2ccc1CCCCc1c2)N3

CCNc2ccc(/N=C/1NCC(C)N1)cc2

CC3CN/C(=N\c2ccc1OCOc1c2)N3

CCOc3ccc(/N=C/2NCC(c1ccco1)N2)cc3

CN(C)c3ccc(/N=C/2NCC(c1ccco1)N2)cc3

c4coc(C3CN/C(=N\c2ccc1CCCCc1c2)N3)c4

CCNc3ccc(/N=C/2NCC(c1ccco1)N2)cc3

c4coc(C3CN/C(=N\c2ccc1OCOc1c2)N3)c4

[#6]-[#6]-[#8]-c1ccc(cc1)[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1

N=C(Nc1ccccc1)Nc1ccc2CCCCc2c1

CCNc1ccc(NC(=N)Nc2ccccc2)cc1

N=C(Nc1ccccc1)Nc1ccc2OCOc2c1

CCCNC(=N)Nc1ccc(OCC)cc1

CCCNC(=N)Nc1ccc(cc1)N(C)C

CCCNC(=N)Nc1ccc2CCCCc2c1

CCCNC(=N)Nc1ccc(NCC)cc1

CCCNC(=N)Nc1ccc2OCOc2c1

CCOc1ccc(NC(N)=N)cc1

CCOc2ccc(/N=C/1NCC(C)N1)cc2

CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(C)=O)c(c4)[N+]([O-])=O)cc3)nc12 |r|

CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|

CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13

CC(C)N(C[C@@H]1CNC[C@H]1OC(=O)NCc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC

Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccccn1

NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C

NC[C@H]1C[C@@H]1c1cc(F)ccc1OCCF

Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|

COc1cc2C(CN(C)C3Cc4cc5OCOc5cc4-c(c1OC)c23)c1ccccc1

COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23

Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1

Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1

Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1

Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1

COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1

C=CCN(CCc1c[nH]c2ccccc12)CC=C

NCC1CC1c1cc(F)c(F)cc1OCC=C

CC(C)Cn1c(C)cc(NCc2ccc(cc2)C(F)(F)F)cc1=O

CCCCCNc1cc(C)n(CCCCC)c(=O)c1

CCCCCn1c(C)cc(NCc2ccccc2)cc1=O

CCCCCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O

CC(C)CCNc1cc(C)n(CCC(C)C)c(=O)c1

CC(C)CCn1c(C)cc(NCc2ccccc2)cc1=O

CC(C)CCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O

CCCCCNc1cc(C)n(Cc2ccccc2)c(=O)c1

CC(C)CCNc1cc(C)n(Cc2ccccc2)c(=O)c1

CN1CCCCC1CCn1c2ccccc2c2ccccc12

CN1CCCCC1CCn1cnc2ccccc12

CNC[C@@H](c1ccc(c(c1)O)O)O

C1CC1C(NC1=NCCO1)C1CC1 |t:6|

CCC1(Cc2ccccc2O1)C1=NCCN1 |t:13|

C(Nc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|

[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|

C1CN=C(NC2CCCc3ccccc23)O1 |t:2|

C1CN=C(NC2CCCCCC2)O1 |t:2|

C1CN=C(O1)N1CCOCC1 |c:2|

CCC[C@H]1CCCCC1NC1=NCCO1 |t:11|

C1COC(NC2CCCc3ccccc23)=NC1 |c:16|

Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|

Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |wD:9.8,(9.31,-11.63,;8.84,-10.16,;9.73,-8.91,;8.82,-7.65,;9.29,-6.2,;8.25,-5.05,;10.79,-5.85,;11.84,-7,;11.27,-4.4,;12.77,-4.05,;13.23,-2.6,;14.74,-2.27,;15.78,-3.41,;15.3,-4.87,;13.8,-5.2,;14.89,-4.1,;13.64,-3.35,;7.35,-8.14,;6.02,-7.37,;4.68,-8.16,;4.68,-9.7,;6.02,-10.47,;7.37,-9.69,)|

COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC

Ic1c(NC2=NCCN2)ccc2nccnc12 |t:4|

C1CN=C(Nc2ccc3nccnc3c2)N1 |t:2|

CC1CN=C(Nc2ccc3nccnc3c2Br)N1 |t:3|

Brc1c(NC2=NCCN2)ccc2NCCNc12 |t:4|

Brc1c(NC2=NCCS2)ccc2nccnc12 |t:4|

[H][C@]12CCCC[C@@]1([H])N=C(Nc1ccc3nccnc3c1Br)N2 |t:9|

Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 |t:9|

Clc1c(NC2=NCCN2)ccc2nccnc12 |t:4|

C1Oc2cc3CCNCc3cc2O1

COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br

CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1 |r|

CCCNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1 |r|