2443 SMILES Strings for 5-hydroxytryptamine receptor 2B

Compound Name
SMILES String
NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12
NCCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12
O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCCNC1
Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1
Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1
FC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)n1
FC(F)(F)c1ccnc(COc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(O[C@@H]2CCNC2)c(OCc2ccccc2)c1 |r|
CN1CC[C@H](C1)Oc1ccc(Cl)cc1OCc1ccccc1 |r|
Clc1cccc(COc2cc(Cl)ccc2O[C@@H]2CCNC2)c1 |r|
CN1CC[C@H](C1)Oc1ccc(Cl)cc1OCc1cccc(Cl)c1 |r|
Clc1cccc(COc2cc(Cl)ccc2O[C@H]2CCNC2)c1 |r|
C[C@@H](Oc1ccc(Cl)cc1OC1CNC1)c1cccc(c1)C(F)(F)F |r|
CC(Oc1ccc(Br)cc1OC1CNC1)c1cccc(Cl)c1
C[C@@H](Oc1ccc(Br)cc1OC1CNC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Oc1ccc(Cl)cc1OC1CCNCC1)c1cccc(c1)C(F)(F)F |r|
Cc1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
Clc1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
FC(F)(F)c1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
Clc1ccc(OC2CCc3ccccc3C2)c(OC2CNC2)c1
COC(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
COc1ccc2CC(Cc2c1)Oc1ccc(Cl)cc1OC1CNC1
FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
Clc1cccc(CCOc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(OCCc2ccccc2)c(OC2CNC2)c1
Clc1ccc(cc1)C1(COc2ccc(Cl)cc2OC2CNC2)CCC1
COc1cccc(CCOc2ccc(Cl)cc2OC2CNC2)c1
Fc1cccc(CCOc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
Fc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
COc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
Brc1ccc(OCCc2ccccc2)c(OC2CNC2)c1
FC(F)(F)c1ccc(COc2ccc(cc2OC2CNC2)C(F)(F)F)o1
C[C@@H](Oc1ccc(cc1OC1CNC1)C(F)(F)F)c1cccc(c1)C(F)(F)F |r|
FC(F)(F)c1ccc(OCc2ccccc2)c(OC2CNC2)c1
CC1(CNC1)Oc1cc(Br)ccc1OCCc1ccccc1
Cc1ccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)cc1 |r|
Cc1ccc(Oc2cc(Cl)ccc2O[C@@H]2CCNC2)cc1 |r|
CN1CC[C@H](C1)Oc1ccc(Cl)cc1Oc1ccc(C)cc1 |r|
Fc1ccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)cc1 |r|
Fc1ccc(Oc2cc(Cl)ccc2O[C@@H]2CCNC2)cc1 |r|
CN1CC[C@H](C1)Oc1ccc(Cl)cc1Oc1ccc(F)cc1 |r|
Cc1ccccc1Oc1cc(Cl)ccc1O[C@H]1CCNC1 |r|
Cc1cccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)c1 |r|
Cc1cc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)ccc1F |r|
Clc1ccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)cc1 |r|
Clc1cccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)c1 |r|
Clc1ccc(O[C@H]2CCNC2)c(Oc2ccc(Br)cc2)c1 |r|
CC(C)c1ccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)cc1 |r|
O=S(=O)(c1c[nH]c2cccc(CCN3CCCCC3)c12)c1ccccc1
CC(=O)c1ccc2Sc3ccccc3Nc2c1
c1cc2c(cc1C(=O)N)c(c[nH]2)CCN
NCCc1c[nH]c2ccc(O)cc12
CCCN(CCC)C1CCc2cccc(O)c2C1
CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1
[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c2oc(cc(=O)c2c1-[#8])-c1ccccc1
CN(C)CCc1c[nH]c2c1cccc2
CN(C)CCc1c[nH]c2c1cc(cc2)OC
COC(CO)C(=O)OC(C)c1cccc2nc3c(cccc3nc12)C(O)=O
COC(CO)C(=O)O[C@@H](C)c1cccc2nc3c(cccc3nc12)C(O)=O |r|
CCc1cc(OC)c(CC(C)N)cc1OC
COc1cc(CC(C)N)c(OC)cc1I
COc1cc(CC(C)N)c(OC)cc1C
CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
Clc1cccc(c1)N1CCNCC1
COc1cc(cc(c1OC)OC)CCN
CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
CN(C)CCc1c[nH]c2c1c(ccc2)O
CN(C)CCc1c[nH]c2c1c(ccc2)OP(=O)(O)O
C1CN(CCN1)c1ccc2ccccc2n1
COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
COc1cc(cc(OC)c1OC)C(C)=O
NCCc1c[nH]c2ccccc12
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
CN1CCN2c3ccccc3Cc4ccccc4[C@H]2C1
[#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
C1CN(CCN1)c1cccc2ccccc12
NCCc1c[nH]c2ccc(Br)cc12
Cc1[nH]c2ccc(O)cc2c1CCN
Cn1cc(CCN)c2cc(O)ccc12
COc1ccc2c(c1)c(c[nH]2)CCN
Cc1ccc2c(c1)c(c[nH]2)CCN
CC(C)n1cc2CC3C(CC(CN3C)C(=O)NC3CCCCC3)c3cccc1c23
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c4c(cccc4[nH]c3Br)C2=C1)C
Clc1cncc(n1)N1CCNCC1
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6]-[#6]-c2ccccc-12
CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
FC(F)(F)c1cccc(c1)N1CCNCC1
c1cc2c(cc1Cl)c(c[nH]2)CCN
c1cc2c(cc1F)c(c[nH]2)CCN
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)NC1CCCCC1
CC(O)C(C)OC(=O)C1CC2C(Cc3cn(C(C)C)c4cccc2c34)N(C)C1
CC(O)C(C)OC(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1
OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
CC(=O)NCCc1c[nH]c2c1cc(cc2)OC
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
[#7]\[#6](-[#7])=[#7]\[#7]=[#6](-[#6]-1-[#6]-[#6]-[#6](Cl)-[#16]-1)-c1ccccc1 |w:4.3|
[#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)ccc(-[#6](-[#6])=O)c1-[#8] |w:11.10|
[#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c(-[#8]-[#6])c2)ccc(-[#6](=O)-[#6]-[#6])c1-[#8] |w:11.10|
[#6]-[#6]-[#6]-c1cc(ccc1-[#8]-c1cccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1)C([#6])([#6])[#6] |w:15.15|
[#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)ccc(-[#6](=O)-[#6]-[#6])c1-[#8] |w:11.10|
[#6]-c1ccc(-[#6])c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)c1 |w:13.12|
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cccc(-[#8]-[#6]-c2ccc(cc2)-[#6](=O)-c2ccccc2)c1 |w:5.5|
CCc1c(O)c(ccc1COc1ccc(C=O)cc1)C(C)=O
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O
CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(N)=O
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F
Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C
CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
CCCCCCOc1c(nsn1)C2=CCCN(C2)C
CCCNC(C)Cc1cc(OC)c(Br)cc1OC
COc1ccc(OC)c(CC(C)N)c1
COc1cc(C(C)=O)c(OC)cc1CC(C)N
COc1cc(CC(C)N)c(OC)cc1Br
COc1cc(Cc2ccccc2)c(OC)cc1CC(C)N
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:8|
COc1cc(C#N)c(OC)cc1CC(C)N
COc1cc(CC(C)N)c(OC)cc1F
CCCCCCc1cc(OC)c(CC(C)N)cc1OC
COc1cc(c(OC)cc1CC(C)N)[N+]([O-])=O
CCCc1cc(OC)c(CC(C)N)cc1OC
COc1cc(c(OC)cc1CC(C)N)C(C)(C)C
COc1cc(CC(C)N(C)C)c(OC)cc1Br
COCCOCCl
COc1cc(CC(C)[N+](C)(C)C)c(OC)cc1Br
COc1cc(CC(C)N)cc(OC)c1OC
COc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1OC
CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
CC(C)(N)n1ccc2cc(F)c(F)cc12
C[C@H](N)Cc1cccc(c1)C(F)(F)F
FC(F)(F)c1ccc(nc1Cl)N1CCNCC1
COc1ccc2CCCc2c1[C@@H]1CCNC1
CC(N)Cn1ccc2cc(F)c(Cl)cc12
CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F |r|
CCN[C@H](C)Cc1cccc(c1)C(F)(F)F |r|
C[C@@H](N)Cc1cccc(c1)C(F)(F)F |r|
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCCC2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
CC1CCN(CCC2CCCCC2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1 |r|
O=C(NC1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |wD:6.6,(-3.87,-1.76,;-3.86,-3.3,;-2.52,-4.08,;-1.18,-3.3,;-1.19,-1.76,;.15,-.99,;1.48,-1.76,;2.83,-.99,;4.16,-1.76,;5.49,-.99,;5.49,.54,;6.84,1.31,;8.17,.53,;9.5,1.3,;10.83,.53,;10.81,-1.01,;9.48,-1.78,;8.16,-1.01,;6.84,-1.78,;12.17,1.29,;13.5,2.07,;1.48,-3.3,;.15,-4.08,;-5.19,-4.09,;-5.19,-5.64,;-6.54,-6.41,;-7.87,-5.64,;-7.87,-4.09,;-9.19,-3.33,;-9.2,-1.81,;-7.87,-1.03,;-6.54,-1.78,;-6.54,-3.33,)|
CCNC(C)Cc1cccc(c1)C(F)(F)F
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
CC(C)(N)Cc1ccccc1
Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Cc1ccc2c(c1)c3c([nH]2)[C@@H](NCC3)Cc4ccc(c(c4Cl)OC)OC
CC(N)Cn1ccc2c1-c1cc(C)ccc1C2(C)C
CCc1c(O)c2C(=O)CC3CN(C)CC3c2cc1OC
CCOC(=O)Cc1ccc(cc1)C1NCCc2c1[nH]c1ccc(Cl)cc21
Cc1cc2CCN(C(=O)Nc3cccc4ncccc34)c2cc1Cl
Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2OCCOc12
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|
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
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
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|
Nc1nc2CCN(CC=C)CCc2s1
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
CC(=O)NCCc1cccc2c1cc(cc2)OC
CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)NC1(C)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O
CC(N)Cc1ccc2OCOc2c1
C[C@@H](N)Cc1ccc2OCOc2c1 |r|
C[C@H](N)Cc1ccc2OCOc2c1 |r|
C[C@@H](Cc1ccc2c(c1)OCO2)NC
C[C@@H](Cc1ccc2c(c1)OCO2)NC
CN[C@H](C)Cc1ccc2OCOc2c1 |r|
CCC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:23|
CC(N)Cc1cccc(c1)C(F)(F)F
CCCN1CC(CSC)CC2C1Cc1c[nH]c3cccc2c13
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
CC(C)CC(N)C1(CCC1)c1ccc(Cl)cc1
CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
CN1CC(C=C2C1Cc1c[nH]c3cccc2c13)C(=O)NC1(C)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O |c:4|
CCN(CC)C(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
CN(C)S(=O)(=O)NC1CC2C(Cc3cn(C)c4cccc2c34)N(C)C1
CN1CC(CNC(=O)OCc2ccccc2)CC2C1Cc1cn(C)c3cccc2c13
COc1ccc2CCCc2c1O[C@H]1CCNC1
CC(C)NCC(O)COc1cccc2[nH]ccc12
CCCN1CCCC2Cc3[nH]ncc3CC12
CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1
C[C@H](N)CN1CCc2ccc(Br)cc12
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NCCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;6,1.64,;7.34,.87,;7.34,-.67,;8.67,-1.44,;10,-.67,;11.34,-1.44,;10,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;10.77,2.62,;9.23,5.29,;11.34,4.72,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)|
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;4.67,-.67,;6,1.64,;7.34,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;7.34,3.95,;7.34,5.49,;6,3.18,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)|
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
Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
C(CN1CCO[C@@H](COc2ccccn2)C1)N1CCc2ccccc12 |r|
Cc1ccnc(OC[C@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
O=C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12 |r|
C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12 |r|
O=C(CN1CCO[C@@H](COc2cccnc2)C1)N1CCc2ccccc12 |r|
O=C(CN1CCO[C@H](COc2cccnc2)C1)N1CCc2ccccc12 |r|
Clc1cccc(OC[C@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
Clc1cccc(OC[C@@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
Clc1cccc(OC[C@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
COc1cccc(OC[C@@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
COc1cccc(OC[C@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
Cc1ncccc1OC[C@H]1CN(CCN2CCc3ccccc23)CCO1 |r|
Clc1cncc(OC[C@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
Cc1ccnc(C)c1OC[C@H]1CN(CCN2CCc3ccccc23)CCO1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@H](COc2cccnc2C)C1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccnc2C)C1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@H](COc2cccc(Cl)c2)C1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccc(Cl)c2)C1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2ccccc2C)C1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cc(C)ccn2)C1 |r|
C=CCN1CC(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)OC1=O
CC(C)N1CC(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)OC1=O
O=C1OC(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)CN1C1CCC1
O=C1OC(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)CN1C1CCCC1
CC(C)(C)N1CC(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)OC1=O
O=C1OC(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)CN1C1CC1
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
C(OC1CCNCC1)c1ccc2ccccc2c1
Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
CCCN1CCC[C@@H]2Cc3c(C[C@@H]12)ccc(O)c3O
CCCN1CCC[C@@H]2CC3=C(CCCC3=O)C[C@@H]12 |r,t:9|
CCCN1CCC[C@@H]2Cc3c4OCOc4ccc3C[C@@H]12 |r|
CCCc1cnc2N3CCNC[C@H]3CCc2c1 |r|
[H][C@]12CCc3c(Cc4ccccc4)ccnc3N1CCNC2 |r|
COCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
CCCCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
CCCC(C)c1ccnc2N3CCNC[C@H]3CCc12 |r|
CCc1ccnc2N3CCNC[C@H]3CCc12 |r|
CC(C)c1ccnc2N3CCNC[C@H]3CCc12 |r|
CCCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
CCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12 |r|
[H][C@]12CCc3c(Cc4cccc(F)c4)ccnc3N1CCNC2 |r|
Fc1ccccc1Cc1ccnc2N3CCNC[C@H]3CCc12 |r|
Cc1ccnc2N3CCNC[C@H]3CCc12 |r|
CC(C)CCc1ccnc2N3CCNC[C@H]3CCc12 |r|
COCc1ccnc2N3CCNC[C@H]3CCc12 |r|
C(C1CCCCC1)c1ccnc2N3CCNC[C@H]3CCc12 |r|
[H][C@]12CCc3c(CC(C)(C)C)ccnc3N1CCNC2 |r|
OC(C1CCC1)c1ccnc2N3CCNC[C@H]3CCc12 |r|
C1CN2[C@H](CCc3c2nccc3-c2cccs2)CN1 |r|
[H][C@]12CCc3c(Cc4ccc(F)cc4)ccnc3N1CCNC2 |r|
CCc1c(Cc2ccccc2)cnc2N3CCNC[C@H]3CCc12 |r|
C(C1CCCCO1)c1ccnc2N3CCNC[C@H]3CCc12 |r|
C(OCc1ccnc2N3CCNC[C@H]3CCc12)C1CCOCC1 |r|
Brc1ccnc2N3CCNCC3CCc12
C(C1CCC1)c1ccnc2N3CCNCC3CCc12
N#CCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
C(c1ccccn1)c1ccnc2N3CCNC[C@H]3CCc12 |r|
C\C=C\Cc1ccnc2N3CCNC[C@H]3CCc12 |r|
CC(C)OCc1ccnc2N3CCNC[C@H]3CCc12 |r|
Clc1ccc(nc1)-c1ccnc2N3CCNC[C@H]3CCc12 |r|
C1CCC(C1)c1ccnc2N3CCNC[C@H]3CCc12 |r|
[H][C@]12CCc3c(ccnc3N1CCNC2)C1CCC1 |r|
[H][C@]12CCc3c(CCC(F)(F)F)ccnc3N1CCNC2 |r|
Brc1ccnc2N3CCCNC[C@H]3CCc12 |r|
FC(F)(F)CCc1ccnc2N3CCCNC[C@H]3CCc12 |r|
CC1CC2CNCCN2c2ncccc12
CSc1nc(Cl)c2CC[C@@H]3CNCCCN3c2n1 |r|
Clc1ncnc2N3CCCNC[C@H]3CCc12 |r|
C(Cc1ccnc2N3CCNC[C@H]3CCc12)c1ccccc1 |r|
CCc1c(CCC#N)cnc2N3CCNC[C@H]3CCc12 |r|
CCc1c(COC(C)C)cnc2N3CCNC[C@H]3CCc12 |r|
CCc1c(CC2CCCCC2)cnc2N3CCNC[C@H]3CCc12 |r|
CCc1c(CC2CCCCO2)cnc2N3CCNC[C@H]3CCc12 |r|
CCc1c(cnc2N3CCNC[C@H]3CCc12)C1CCC1 |r|
FC(F)(F)CCc1c(Cl)cnc2N3CCNC[C@H]3CCc12 |r|
CN1CCN2[C@H](CCc3c(CCC(F)(F)F)ccnc23)C1 |r|
CSc1nc(Cl)c2CC[C@@H]3CNCCN3c2n1 |r|
C(C1CCCC1)c1ccnc2N3CCNC[C@H]3CCc12 |r|
CCc1c(CC2CCCC2)cnc2N3CCNC[C@H]3CCc12 |r|
Brc1cncc2N3CCNC[C@H]3CCc12 |r|
[H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r|
C(C1CCCCC1)c1cncc2N3CCNC[C@H]3CCc12 |r|
C(c1ccccc1)c1cncc2N3CCNC[C@H]3CCc12 |r|
[H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 |r|
CC(C)COc1ccc(cc1)CNC(=O)N(Cc2ccc(cc2)F)C3CCN(CC3)C
CN(C)[C@H]1C[C@@H](c2cccc(Br)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2cccs2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2cccs2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2cccs2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2cccs2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccco2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccco2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccco2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccco2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccncc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccncc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccncc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccncc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccccc2F)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccccc2F)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccccc2F)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccccc2F)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccc(F)cc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccc(F)cc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccc(F)cc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccc(F)cc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccc(Cl)cc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccc(Cl)cc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccc(cc2)N(C)C)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccc(cc2)N(C)C)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccc(cc2)N(C)C)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccc(cc2)N(C)C)c2ccccc2C1 |r|
COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F
CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(CCCF)C1
CCCN1C[C@H](C(=O)N[C@H](C)CC)C=C2c3cccc4[nH]cc(c34)C[C@H]21
CCCN1C[C@H](C(=O)NC(CC)CC)C=C2c3cccc4[nH]cc(c34)C[C@H]21
CCCN1C[C@H](C(=O)N2[C@@H](C)C[C@@H]2C)C=C2c3cccc4[nH]cc(c34)C[C@H]21
CNC(C)Cc1ccc2c(c1)OCO2
COc1cc(CCN)c(OC)cc1Br
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(OC)c(OC)cc1CC(C)N
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
C[C@@H]1C[C@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
COc1cc(SC(F)(F)F)c(OC)cc1CCN
COc1cc(SC(F)(F)F)c(OC)cc1CCNCC1CC1
CCCN1CCC[C@@H]2CC3=C(CC=CC3=O)C[C@H]21
Cc1ncnc(C)c1-c1cc(NC(=O)c2cccn2C)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccnn2C)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2cc(F)ccn2)ccc1OCCN1CCCC1
Cc1ncsc1C(=O)Nc1ccc(OCCN2CCCC2)c(-c2c(C)ncnc2C)c1
Cc1ncoc1C(=O)Nc1ccc(OCCN2CCCC2)c(-c2c(C)ncnc2C)c1
Cc1ncnc(C)c1-c1cc(NC(=O)C2C3COCC32)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)C2(F)CC2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)Cn2cccc2)ccc1OCCN1CCCC1
COC4(C(=O)Nc3ccc(OCCN1CCCC1)c(c2c(C)ncnc2C)c3)CC4
Cc1ncnc(C)c1-c1cc(NC(=O)C2CC2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)Cc2cncs2)ccc1OCCN1CCCC1
Cc1ncsc1CC(=O)Nc1ccc(OCCN2CCCC2)c(-c2c(C)ncnc2C)c1
Cc1ncnc(C)c1-c1cc(NC(=O)CCc2nccs2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)CCc2cncs2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)Cc2ccno2)ccc1OCCN1CCCC1
Cc1ncc(CC(=O)Nc2ccc(OCCN3CCCC3)c(-c3c(C)ncnc3C)c2)s1
Cc1ncnc(C)c1-c1cc(NC(=O)Cc2ccn(C)c2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccccc2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccc(F)cc2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)Cc2cccc(F)c2)ccc1OCCN1CCCC1
COc4ccc(CC(=O)Nc3ccc(OCCN1CCCC1)c(c2c(C)ncnc2C)c3)cc4
Cc1ncnc(C)c1-c1cc(NC(=O)c2c(F)cnn2C)ccc1OCCN1CCCC1
CCOC1CC1C(=O)Nc1ccc(OCCN2CCCC2)c(-c2c(C)ncnc2C)c1
Cc1ncnc(C)c1-c1cc(NC(=O)C2(CF)CC2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccnn2C)ccc1OCCN1CCC1
Cc1ncnc(C)c1-c1cc(NC(=O)C2(F)CC2)ccc1OCCN1CCC1
Cc1ncoc1CC(=O)Nc1ccc(OCCN2CCC2)c(-c2c(C)ncnc2C)c1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccccc2)ccc1OCCN1CCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccc(F)cc2)ccc1OCCN1CCC1
COc4cccc(C(=O)Nc3ccc(OCCN1CCC1)c(c2c(C)ncnc2C)c3)c4
Cc1ncnc(C)c1-c1cc(NC(=O)Cc2cncc(F)c2)ccc1OCCN1CCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2c(F)cnn2C)ccc1OCCN1CCC1
COc4ccc(C(=O)Nc3ccc(OCCN1CCC1)c(c2c(C)ncnc2C)c3)cc4
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccccc2F)ccc1OCCN1CCC1
Cc1ccccc1C(=O)Nc1ccc(OCCN2CCC2)c(-c2c(C)ncnc2C)c1
N#Cc1cccc(C(=O)Nc2ccc(OCCN3CCC3)c(-c3c(C)ncnc3C)c2)c1
Cc1ncnc(C)c1-c1cc(NC(=O)C2CC2)ccc1OCCN1CCC1
COC1CCN(CCOc2ccc(NC(=O)C3CC3)cc2-c2c(C)ncnc2C)CC1
CO[C@@H]4CCN(CCOc2ccc(NC(=O)C1CC1)cc2c3c(C)ncnc3C)C4
COCCNCCOc2ccc(NC(=O)C1CC1)cc2c3c(C)ncnc3C
Cc1ncnc(C)c1-c1cc(NC(=O)C2CC2)ccc1OC1CNC1
Cc1ncnc(C)c1-c1cc(NC(=O)C2(F)CC2)ccc1OC1CNC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccccc2)ccc1OC1CNC1
Cc1ncnc(C)c1-c1cc(NC(=O)[C@@H]2C[C@H]2F)ccc1O[C@@H]1CCCNC1
Cc1ncnc(C)c1-c1cc(NC(=O)C2(F)CC2)ccc1OC[C@H]1CCCCN1
Cc1ncnc(C)c1-c1cc(NC(=O)C2(F)CCC2)ccc1OC[C@H]1CCCCN1
CCOC1CC1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)ncnc2C)c1
COCCNCCOc2ccc(NC(=O)C1(F)CC1)cc2c3c(C)ncnc3C
Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1
C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1
CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
CCC(=O)N1CC[C@@H](C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F
Fc1ccc(NC(=O)c2cccc(c2)C(=O)NC2CCCCC2)cc1
CC(C)NS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(F)c(F)c1
Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N[C@H]2CCOC2)ccc1F |r|
C(N1CCc2cc(ccc2C1)N1CCOCC1)c1ccccc1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1
CCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:14|
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(S[C@@H]1C)c1ccccc1O |r,c:16|
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1N=C(S[C@@H]1C)c1ccccc1O |r,c:16|
C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccccc1O |r,c:3|
Oc1ccccc1C1=NC(Cc2c[nH]cn2)CS1 |t:8|
[H][C@]12CCC[C@@]1([H])N=C(S2)c1ccccc1O |r,c:8|
CNc1ccccc1C1=N[C@@H](CO)[C@H](C)S1 |r,t:9|
C[C@@H]1SC(=N[C@H]1CO)c1cc2ccccc2cc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1ccsc1 |r,c:3|
CCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:12|
C[C@@H]1SC(=N[C@@H]1Cc1c[nH]cn1)c1ccccc1 |r,c:3|
C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccc(cc1)-c1ccccc1 |r,c:3|
C[C@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccc(cc1)-c1ccccc1 |r,c:3|
C[C@@H]1SC(=N[C@@H]1CO)c1ccccc1O |r,c:3|
NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Oc1ccccc1-c1nc(C=O)cs1
C[C@@H]1SC(=N[C@H]1[C@@H]1SC[C@@](C)(N1C)C(O)=O)c1ccccc1O |r,c:3|
C[C@H]1SC(=N[C@H]1CO)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1ccccc1O |r,c:3|
Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(S1)c1ccccc1 |t:8|
C[C@@H]1SC(=N[C@H]1CO)c1ccccc1 |r,c:3|
CCCCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:16|
OC[C@@H]1CSC(=N1)c1ccccc1O |r,c:5|
C[C@H]1SC(=N[C@@H]1CO)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1ccco1 |r,c:3|
NC(=O)c1csc(n1)-c1ccccc1O
C[C@@H]1SC(=N[C@H]1[C@H]1SC[C@@](C)(N1C)C(O)=O)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccccc1 |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1c[nH]c2ccccc12 |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1cccs1 |r,c:3|
Fc1ccc(cc1)-c1noc2CCNCCc12
Fc1ccc(cc1)-c1n[nH]c2CCNCCc12
Clc1ccc(cc1)-c1noc2CCNCCc12
Cc1ccc(cc1)-c1noc2CCNCCc12
Clc1ccc(cc1)-c1n[nH]c2CCNCCc12
Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
[H][C@]12CCc3ccncc3N1CCNC2 |r|
[H][C@]12CCc3cccnc3N1CCNC2 |r|
[H][C@]12CCc3c(Br)ccnc3N1CCNC2 |r|
OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
[#8]C1([#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c2ccc(F)cc2)-c2ccc(F)cc2)-[#6]-[#6]1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1
c1cc(ccc1C(CCCN2CCC(CC2)(c3ccc(c(c3)C(F)(F)F)Cl)O)c4ccc(cc4)F)F
OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
NC1=NC2(CCCCC2)NC(Nc2cccc(O)c2)=N1 |c:20,t:1|
Cc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:10,t:7|
NC1=NC2(CCCCC2)NC(Nc2ccccc2)=N1 |c:19,t:1|
NC1=NC2(CCCCC2)NC(Nc2cccc(Cl)c2)=N1 |c:20,t:1|
NC1=NC2(CCCCC2)NC(Nc2cccc(I)c2)=N1 |c:20,t:1|
CN(C)CC/C=C/1\c2ccccc2COc3c1cccc3
NC1=NC2(CCCCC2)NC(Nc2cccc(F)c2)=N1 |c:20,t:1|
CN(C)CC\C=C1/c2ccc(Br)cc2COc2ccccc12
NC1=NC2(CCCCC2)NC(Nc2cc(Br)cc(Br)c2)=N1 |c:21,t:1|
NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1|
NC1=NC2(CCCCC2)NC(Nc2cc(F)cc(Br)c2)=N1 |c:21,t:1|
CCOC(=O)c1cc(Br)cc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:15,t:12|
CN(C)CC\C=C1/c2ccc(F)cc2COc2ccccc12
CN(C)CC\C=C1/c2ccc(Cl)cc2COc2ccccc12
CCCSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
CCSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
CC(C)(C)c1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)C(F)(F)F
CC(C)Oc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
O=C(C=Cc1ccccc1)N(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)Cc1cccnc1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)C=Cc1ccccc1
Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
COc1ccc(cc1OCCN1CCCC(C)C1)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCCCCC1)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(Cl)ccc2C1=O
COc1ccc(cc1OCCN1[C@@H](C)CCC[C@H]1C)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCOCC1)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)(C)CC1)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1C(C)c2cccc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(Cl)c(Cl)cc2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cccc(Br)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(Cl)c(C)c(Cl)c2C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2cccc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(cccc2Cl)C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2cccc(F)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(C)cc(C)c2C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2cc(Cl)ccc2C1=O
COc1ccc(cc1OCCN1CCCCC1C)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cccc(C#N)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(F)cc(c2C1=O)C(F)(F)F
COc1ccc(cc1OCCN1CCCCC1)N1Cc2ccc(Cl)cc2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c(ccc2F)C(F)(F)F
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(C)cc(C)c2C1=N
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(Cl)c(Cl)c(C)c2C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2ccccc2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cccc(C)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cccc(c2C1=O)C(F)(F)F
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2ccc(Cl)c(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c(Cl)cc(F)c2F
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2ccc(Cl)cc2C1=O
COc1cccc2CN(C(=O)c12)c1ccc(OC)c(OCCN2CCCCC2)c1
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(cccc2Cl)C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cccc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(C1=O)c1cc(Cl)ccc1n2C
COc1ccc2n(C)c3CN(C(=O)c3c2c1)c1ccc(OC)c(OCCN2CCCCC2)c1
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(C1=O)c1ccc(Cl)cc1n2C
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(C1=O)c1cc(Cl)c(Cl)cc1n2C
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c1cccc(F)c1n2C
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(C1=O)c1ccccc1n2C
COc1ccc(cc1OCCN1CCC(C)CC1)N1C(O)c2c(C1=O)c1ccccc1n2C
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c1cc(Cl)ccc1n2C
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c1ccc(Cl)cc1n2C
COc1ccc(cc1OCCN1CCCCC1)N1Cc2sc3ccccc3c2C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(C1=O)c1ccc(F)cc1n2C
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2sc3ccccc3c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c1cc(F)ccc1n2C
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c1ccc(F)cc1n2C
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
Fc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cccc3OCCOc23)c1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cc(Cl)cc2n1
CC1CNCCc2cc(Cl)c(Cl)cc12
C[C@@H]1CNCCc2ccc(Cl)c(Cl)c12
C[C@H]1CNCCc2c1cc(cc2)Cl
COc1cc2CCNCC(C)c2cc1Cl
CC1CNCCc2ccc(cc12)C(F)(F)F
CC1CNCCc2c(Cl)cc(Cl)cc12
CC1CNCCc2cc(F)c(Cl)cc12
CC1CNCCc2ccc(Cl)c(Cl)c12
Clc1ccc2CCNCCc2c1
C[C@@H]1CNCCc2ccc(Cl)cc12
CC1CNCCc2cc(Cl)ccc12
CC1CNCCc2ccccc12
CC1CNCCc2c(Cl)cccc12
CC1CNCCc2ccc(Br)cc12
C[C@H]1CNCCc2ccc(Cl)c(Cl)c12
COc1cc2CCNC[C@H](C)c2cc1Cl
C[C@H]1CNCCc2cc(Cl)c(Cl)cc12
C[C@@H]1CNCCc2ccc(cc12)C(F)(F)F
CC[C@H]1CNCCc2ccc(Cl)cc12
C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
CC1(C)CNCCc2ccc(Cl)cc12
CC1CNCCc2ccc(Cl)cc12
COc1cc2CCNC[C@@H](C)c2cc1Cl
C1Cc2ccccc2CCN1
CC1CNCCc2ccc(Cl)c(F)c12
C[C@H]1CNCCc2ccc(cc12)C(F)(F)F
COc1ccc2C(C)CNCCc2c1
CC[C@@H]1CNCCc2ccc(Cl)cc12
COc1cc2C(C)CNCCc2cc1Cl
COc1ccc2CCNCC(C)c2c1
C[C@@H]1CNCCc2ccc(Cl)c(F)c12
C[C@@H]1CNCCc2cc(Cl)c(Cl)cc12
CC1CNCCc2cccc(Cl)c12
CC1CNCCc2ccc(F)cc12
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
[H][C@@]12CNCCN1C(=O)c1ccc(C)c(OC)c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1c(C)cc(CC)cc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cccc(OCCC)c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cccc(OC)c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc(cc1C2)C#N |r|
[H][C@@]12CNCCN1C(=O)c1ccc(OC)cc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc(cc1C2)C(F)(F)F |r|
[H][C@@]12CNCCN1C(=O)c1ccc(CC)cc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc(C)cc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1c(C2)cccc1C#N |r|
[H][C@@]12CNCCN1C(=O)c1c(C2)cccc1C1CC1 |r|
[H][C@@]12CNCCN1C(=O)c1c(CC)cccc1C2 |r|
[H][C@@]12CNC[C@@H](C)N1C(=O)c1ccccc1C2 |r|
[H][C@@]12CNC[C@H](C)N1C(=O)c1ccccc1C2 |r|
[H][C@@]12CN[C@@H](C)CN1C(=O)c1ccccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1c(C)cc(C)cc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cccc(c1C2)C(F)(F)F |r|
[H][C@@]12CNCCN1C(=O)c1cccc(C)c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc(Cl)cc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc(CCC)cc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cc(OC)ccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cc(Cl)ccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cc(C)ccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1c(C2)cccc1C(F)(F)F |r|
[H][C@@]12CN[C@H](C)CN1C(=O)c1ccccc1C2 |r|
C[C@@]12CNCCN1C(=O)c1ccccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cc(CC)ccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccccc1[C@H]2C |r|
[H][C@@]12CNCCN1C(=O)c1cccc(CC)c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1c(C2)cccc1OC |r|
[H][C@@]12CNCCN1C(=O)c1c(C)ccc(OC)c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc3CCCOc3c1C2 |r|
[H][C@@]12CN(C)CCN1C(=O)c1ccccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cc(ccc1C2)C(F)(F)F |r|
[H][C@@]12CNCCN1C(=O)c1c(Cl)cccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1c(C)cccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cc(ccc1C2)C#N |r|
[H][C@]12CNCCN1C(=O)c1ccccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cccc(OCC)c1C2 |r|
[#6]-[#8]-[#6]C1([#8]-[#6])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]
[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]
[#6]-[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]
[#6]-[#8]C1([#6])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]
[#6]-[#6]C1([#8]-[#6])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]
[#7][#6](-[#7])=[#7][#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
[#7][#6](-[#7])=[#7][#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#8]-[#6]-[#6]3)c2c1
[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3[C@]3([#6]-[#6]-[#6]-[#8]3)c2c1 |r|
[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3[C@@]3([#6]-[#6]-[#6]-[#8]3)c2c1 |r|
[#6]-[#6]-[#6]-[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]
[#7][#6](-[#7])=[#7][#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]3)c2c1
[#7][#6](-[#7])=[#7][#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#6]3)c2c1
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|
CC(N)Cc1c2CCOc2c(Br)c2CCOc12
[H][C@@]12CCN(C)[C@]1(C)COc1c(cccc21)-c1ccccc1 |r|
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
CC[C@H]1c2cc(OC)ccc2OC[C@@]1(C)N |r|
CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1ccc(OC)cc21 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(O)ccc21 |r|
[H][C@@]12CCN(C)[C@]1(C)COc1cc(O)ccc21 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(C)cc(C)c21 |r|
[H][C@@]12CCN(C(C)=O)[C@]1(C)COc1c(cccc21)-c1ccccc1 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccc(Br)cc1)c1ccc(Br)cc21 |r|
CC[C@H]1c2c(OC[C@@]1(C)N)ccc1ccccc21 |r|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccc(C)cc1)c1ccc(C)cc21 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
[H][C@@]12CCN[C@]1(C)COc1ccc(cc21)-c1ccccc1 |r|
[H][C@@]12CCN(C(C)=O)[C@]1(C)COc1cc(O)ccc21 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
[H][C@@]12CCN[C@]1(C)COc1c(Br)cccc21 |r|
CC[C@H]1c2cc(ccc2OC[C@@]1(C)N)-c1ccccc1 |r|
[H][C@@]12CCN[C@]1(C)COc1c(cccc21)-c1ccccc1 |r|
CC[C@H]1c2ccc(O)cc2OC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OCc3ccccc3)ccc21 |r|
[H][C@@]12CCN(C(C)=O)[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
[H][C@@]12CCN(C)[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
COc1cc(CCN)c2CCOc2c1OC
COc1c2OCCc2c(CCN)c2CCOc12
CCOc1c(OC)cc(CCN)cc1OC
C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12
COc1cc(Br)c2OC[C@H]3C[C@@H](N)Cc1c23
COc1cc(Br)c2OC[C@@H]3C[C@@H](N)Cc1c23
Fc1ccc(CN2CCC(CC2)Nc2ncnc3sc(Cl)cc23)cc1C#N
CC(CN)c1c[nH]c2ccccc12
N[C@H]1C[C@@H]1c1c[nH]c2ccccc12
COc1ccc2[nH]cc(C3CC3N)c2c1
N[C@@H]1C[C@H]1c1c[nH]c2ccccc12
COc1ccc2[nH]cc(C(C)CN)c2c1
NC1CC1c1c[nH]c2ccc(F)cc12
NC1CC1c1c[nH]c2ccccc12
COc1cccc2[nH]cc(C3CC3N)c12
CC(N)Cc1c2ccoc2c(Br)c2ccoc12
Fc1ccccc1CCN1CCC2(CC1)CN(C(=O)C1(CC1)O2)c1cccnc1C(F)(F)F
CO[C@@H](c1ccccc1)C(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4cccnn4
NC[C@@H]1C[C@@]1(F)c1ccccc1
NC[C@H]1C[C@]1(F)c1ccccc1
NCC1C(c2ccccc2)C1(F)F
COc1ccccc1CNCC1CC1(F)c1cc(F)ccc1OC
CNC[C@H]1C[C@]1(F)c1ccccc1
COc1ccccc1CNC[C@H]1C[C@]1(F)c1ccccc1
NC[C@H]1C[C@]1(F)c1cccc(Cl)c1
COc1ccc(F)cc1C1(F)CC1CN
NC[C@H]1C[C@]1(F)c1cccc(F)c1
FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
OCCOCCN1CCN(Cc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)CC1
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc(n1)C(N)=O |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CSc1ccccc1F)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12)C(=O)OCC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H]3C[C@@]4([H])CC[C@]3([H])C4)nc(Cl)nc12)C(=O)NC1CC1 |r,TLB:14:15:20.19:23|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H]3C[C@@]4([H])CC[C@]3([H])C4)nc(Cl)nc12 |r,TLB:16:17:22.21:25|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H]3C[C@@]4([H])CC[C@]3([H])C4)nc(Cl)nc12)C(=O)NCCO |r,TLB:14:15:20.19:23|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCC |r|
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
[H][C@]12Cc3cccc(OCc4ccc(F)cc4)c3-c3cc(OC)cc(CCN1CCC)c23
[H][C@]12Cc3cccc(OC(=O)c4ccc(F)cc4)c3-c3cc(OC)cc(CCN1CCC)c23
[H][C@]12Cc3cccc(OC(=O)c4ccc(F)cc4)c3-c3cc(OC)cc(CCN1C)c23
[H][C@]12Cc3cccc(OCc4ccc(F)cc4)c3-c3cc(OC)cc(CCN1C)c23
[H][C@]12Cc3cccc(OCCF)c3-c3cc(OC)cc(CCN1C)c23
[H][C@]12Cc3cccc(OCCF)c3-c3cc(OC)cc(CCN1CCC)c23
[H][C@]12Cc3cccc(OCCCF)c3-c3cc(OC)cc(CCN1CCC)c23
[H][C@]12Cc3cccc(OCCCF)c3-c3cc(OC)cc(CCN1C)c23
CN(C)CCc1c[nH]c2ccsc12
CN(C)CCc1c[nH]c2sccc12
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,)|
FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
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,)|
[H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r|
[H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r|
COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)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,)|
Nc1nc(NCCCc2ccccc2)nc(n1)-c1cc(Cl)ccc1CO
Nc1nc(NCc2ccc(Oc3ccccc3)cc2)nc(n1)-c1c(F)cccc1CO
Nc1nc(NCCc2ccccc2)nc(n1)-c1cc(Cl)ccc1CO
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cnccc3C)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3ccncc3)c2cc1C(F)(F)F
CSc1cc2CCN(C(=O)Nc3cccc(c3)-c3ccncc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3ccc(F)cc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cccc(c3Cl)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc4CCOc4c(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(Cl)c(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(nc3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4)nc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3ccccc3)c2cc1C(F)(F)F
COc1ccc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc1-c1cccnc1
COc1cc2CCN(C(=O)Nc3ccc(cc3)-c3ccncc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc(cc(c3)-c3cccnc3)-c3ccccc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cccc(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cnccc3C)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cccc(c3)-c3c(C)ccnc3C)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc(ccc3F)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cccc(c3)-c3cccnc3C)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(cc3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cc(F)cc(F)c3)c2cc1C(F)(F)F
CCc1cc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc(c1)-c1cccnc1
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3c(F)cccc3F)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(c(c3)-c3cccnc3)C(C)(C)C)c2cc1C(F)(F)F
CSc1cc2CCN(C(=O)Nc3cccc(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc(F)c(C)c(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc(Br)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
CN1CCC2(CC1)N[C@@H](CO)C(=O)N(C2=O)c1c(C)cccc1C |r|
CN1CCC2(CC1)N[C@@H](CC1CNc3ccccc13)C(=O)N(C2=O)c1c(C)cccc1C |r|
CN1CCC2(CC1)N=C(C)C(=O)N(C2=O)c1c(C)cccc1C |t:8|
CN1CCC2(CC1)NCC(=O)N(C2=O)c1c(C)cccc1C
O=C(C1CC1)c1ccc(cc1)-n1ccnc1
[O-][N+](=O)c1cn(cn1)-c1ccc(cc1)C(=O)C1CC1
O=C(C1CC1)c1ccc(cc1)N1CCN(Cc2ccccc2)CC1
O=c1cc2CCNCCc2nn1Cc1ccccc1
Clc1ccccc1Cc1cc2CCNCCc2nn1
FC(F)(F)c1cccc(Cc2cc3CCNCCc3nn2)c1
Clc1ccc(Cc2cc3CCNCCc3nn2)cc1
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 |r|
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
C1Cc2cccc3CNCCN1c23
Clc1ccc2CNCCN3CCc1c23
C1CN2CCNCc3cccc(C1)c23
Clc1ccc2CNCCN3CCCc1c23
Clc1ccc2CNCCN3CCOc1c23
Clc1ccc2CNCCN3CCSc1c23
[O-][S+]1CCN2CCNCc3ccc(Cl)c1c23
Clc1ccc2CNCCN3CCS(=O)(=O)c1c23
C1CCc2cccc3CNCCN(C1)c23
Brc1ccc2CNCCN3CCCCc1c23
Clc1cc2CCN3CCNCc(c1)c23
Fc1ccc2CNCCN3CCc1c23
Brc1ccc2CNCCN3CCc1c23
FC(F)(F)c1ccc2CNCCN3CCc1c23
COc1ccc2CNCCN3CCc1c23
Cc1ccc2CNCCN3CCc1c23
CCc1ccc2CNCCN3CCc1c23
CCCc1ccc2CNCCN3CCc1c23
CC(C)Cc1ccc2CNCCN3CCc1c23
C1CC1c1ccc2CNCCN3CCc1c23
C(c1ccccc1)c1ccc2CNCCN3CCc1c23
CC1CN2CCNCc3cccc1c23
CC1Cc2cccc3CNCCN1c23
C[C@@H]1[C@H](C)c2cccc3CNCCN1c23 |r|
C[C@H]1[C@H](C)c2cccc3CNCCN1c23 |r|
FC(F)(F)CC1CN2CCNCc3cccc1c23
CC1(C)CN2CCNCc3cccc1c23
CCC1(CC)CN2CCNCc3cccc1c23
C1CC2(C1)CN1CCNCc3cccc2c13
C1N2CCNCc3cccc(c23)C11CCOCC1
CC1CN2CCNCc3ccc(C)c1c23
CC1CN2CCNCc3ccc(Cl)c1c23
CC1CN2CCNCc3ccc(Br)c1c23
FC(F)(F)CC1CN2CCNCc3ccc(Br)c1c23
CC1CN2CCNCc3cc(Cl)cc1c23
CC1CN2CCNCc3cc(Cl)c(Cl)c1c23
CC1CN2CCNCc3cc(C)c(Cl)c1c23
CC1NCCN2CC(C)(C)c3cccc1c23
CC1CN2CC(C)(C)c3cccc(CN1)c23
CC1CNCc2cccc3c2N1CC3(C)C
CC1(C)CN2CCNCc3ccc(Br)c1c23
CC1(C)CN2CCNCc3ccc(Cl)c1c23
CC1(C)CN2CCNCc3ccc(F)c1c23
Cc1ccc2CNCCN3CC(C)(C)c1c23
[H][C@@]12CCC[C@]1([H])C1=CC=CC3CNCCN(C2)C13 |r,c:10,t:8|
CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccc(F)cc1
COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ncc(cc1Cl)C(F)(F)F)S(C)(=O)=O |r|
Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)|
Oc1cccc2oc(CCCc3cccc(c3)C#N)cc(=O)c12
Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1
Oc1cccc2oc(CCCc3cccc(c3)C(F)(F)F)cc(=O)c12
Oc1cccc2oc(CCCc3cccc(Cl)c3)cc(=O)c12
Oc1cccc2oc(CCCc3cccc(F)c3)cc(=O)c12
COc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1
Cc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1
Oc1cccc2oc(CCCc3ccc(cc3)C(F)(F)F)cc(=O)c12
Oc1cccc2oc(CCCc3ccc(Cl)cc3)cc(=O)c12
COc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1
CC(C)n1nc2CCNCCc2c1-c1ccc(F)cc1
CNc1ccc(cc1)-c1c2CCNCCc2nn1C(C)C
Fc1ccc(cc1)-c1c2CCNCCc2nn1C1CCC1
Fc1ccc(cc1)-c1c2CCNCCc2nn1C1CC1
CC(C)n1nc2CCNCCc2c1-c1ccc(Cl)cc1Cl |(31.47,-50.99,;30.01,-50.52,;29.69,-49.01,;28.87,-51.55,;27.36,-51.23,;26.59,-52.57,;25.04,-52.68,;24.17,-53.95,;24.62,-55.43,;26.05,-56,;27.38,-55.23,;27.62,-53.71,;29.03,-53.08,;30.36,-53.85,;31.69,-53.08,;33.02,-53.84,;33.03,-55.39,;34.36,-56.16,;31.69,-56.16,;30.36,-55.39,;29.02,-56.16,)|
CC(C)n1nc2CCNCCc2c1-c1ccc(Cl)c(Cl)c1
CC(C)n1nc2CCNCCc2c1-c1ccc(OC(F)(F)F)cc1
CC(C)n1nc2CCNCCc2c1-c1ccc(cc1)C(F)(F)F
CC(C)n1nc2CCNCCc2c1-c1ccc(cc1)C#N
CC(C)n1nc2CCNCCc2c1-c1ccc(Cl)cc1
COc1ccc(cc1)-c1c2CCNCCc2nn1C(C)C
CC(C)n1nc2CCNCCc2c1-c1ccc(C)cc1
C1Cc2nn(c(c2CCN1)-c1ccccc1)-c1ccccc1
C1CC(C1)n1nc2CCNCCc2c1-c1ccccc1
C1CC1n1nc2CCNCCc2c1-c1ccccc1
CC(C)(C)n1nc2CCNCCc2c1-c1ccccc1
CC(C)n1nc2CCNCCc2c1-c1ccccc1
CCn1nc2CCNCCc2c1-c1ccccc1
COc1ccc2OCCc2c1[C@@H]1C[C@H]1CN
CCOc1ccc2OCCc2c1[C@@H]1C[C@H]1CN
COc1ccc2occc2c1[C@@H]1C[C@H]1CN
NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12
NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12
CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN
NC[C@@H]1C[C@H]1c1c(OCC(F)=C)ccc2occc12
CC(=C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN
COc1ccc2OCCc2c1[C@H]1C[C@@H]1CN
CCOc1ccc2OCCc2c1[C@H]1C[C@@H]1CN
CCCOc1ccc2OCCc2c1[C@H]1C[C@@H]1CN
NC[C@H]1C[C@@H]1c1c2CCOc2ccc1OCC=C
NC[C@H]1C[C@@H]1c1c2CCOc2ccc1OCC1CC1
COc1ccc2occc2c1[C@H]1C[C@@H]1CN
CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN
NC[C@H]1C[C@@H]1c1c(OCC=C)ccc2occc12
NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12
NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12
CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN
NC[C@H]1C[C@@H]1c1c(OCC(F)=C)ccc2occc12
CC(=C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN
CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1
CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN
CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1
CCc1cc2c([C@H]3C[C@@H]3CN)c(OCC=C)ccc2o1
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C(C)C)C(C)C)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(I)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(SC)nc12 |r|
[H][C@]12C[C@@]1(CF)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(Cl)nc12 |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
[H][C@]12CCc3c(CCC)cccc3N1CCNC2 |r|
[H][C@]12CCc3c(CCC(F)(F)F)cccc3N1CCNC2 |r|
[H][C@]12CCc3c(Cl)ccnc3N1CCNC2 |r|
[H][C@]12CCc3c(ccnc3N1CCNC2)C1CC1 |r|
[H][C@]12CCc3cnccc3N1CCNC2 |r|
[H][C@]12CCc3c(CC4CCC4)nccc3N1CCNC2 |r|
CCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCC)cc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
CC1COCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c12
CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)nc12
CCCC[C@H](NC(=O)[C@H](C)c1c(C)[nH]c2ccc(O)cc12)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r|
Cc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Cc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
Clc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Clc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
Fc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Fc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
COc1ccccc1-c1n[nH]cc1N1CCCNCC1
COc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
COc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
C1CNCCN(C1)c1c[nH]nc1-c1ccccc1
COc1ccccc1-c1n[nH]cc1N1CCNCC1
COc1cccc(c1)-c1n[nH]cc1N1CCNCC1
COc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
C1CN(CCN1)c1c[nH]nc1-c1ccccc1
Clc1ccccc1-c1n[nH]cc1N1CCNCC1
Clc1cccc(c1)-c1n[nH]cc1N1CCNCC1
Clc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
Fc1ccccc1-c1n[nH]cc1N1CCNCC1
Fc1cccc(c1)-c1n[nH]cc1N1CCNCC1
Fc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
Cc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2c(F)cc(F)cc2F)n1
C[C@H](N)CN1CCc2cc(F)c(I)cc12
C[C@H](N)CN1CCc2ccc3OCCCc3c12
C[C@H](N)CN1CCc2ccc3OCCc3c12
C[C@H](N)CN1CCc2cc(F)c(cc12)C(F)(F)F
CCSc1cc2N(C[C@H](C)N)CCc2cc1F
C[C@H](N)CN1CCc2ccc(Cl)cc12
CSc1ccc2CCN(C[C@H](C)N)c2c1
C[C@H](N)CN1CCc2cc(F)c(Cl)cc12
CCSc1ccc2CCN(C[C@H](C)N)c2c1
CSc1cc2N(C[C@H](C)N)CCc2cc1F
C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
COc1ncc(F)cc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F |r|
Cc1cnc2c(cnn2c1)-c1ccc(cc1F)C(=O)N([C@@H]1CCCNC1)c1ncccc1C |r|
CC(C)Nc1cc(C)c2cc(NC(=O)COc3ccc(cc3)C(F)(F)F)ccc2n1
CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(cc3)C(F)(F)F)ccc2n1
CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3cccc(Cl)c3Cl)ccc2n1
CNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCCNCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(CN(C)C)ccc1Cl
CCN(CC)Cc1ccc(Cl)c(c1)-c1ccccc1OC
CCCN(CCC)Cc1ccc(Cl)c(c1)-c1ccccc1OC
CNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
CCN(CC)CCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCN(CCC)CCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(ccc1Cl)C1CCNC1
COc1ccccc1-c1cc(ccc1Cl)C1CCN(C)C1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
[H][C@@]12C[C@@H]([C@@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(OC)c12)C=C)C(=C/OC)\C(=O)OC |r|
COc1cc(C[C@@H](C)N)c(OC)cc1I
[H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC
[H][C@@]12C[C@@H]([C@@H](CC)CN1CCc1c2[nH]c2cccc(O)c12)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(O)c12)C=C)C(=C/OC)\C(=O)OC |r|
CN(C)CCc1cn(C)c2cccc(O)c12
CCN(C)CCc1cn(C)c2cccc(O)c12
CC(C)N(C)CCc1cn(C)c2cccc(O)c12
CN(CCc1cn(C)c2cccc(O)c12)CC1CC1
CCCC(CCC)c1nc2c(Nc3ccc(Cl)c(Cl)c3)nc3ccccc3c2[nH]1
[H][C@]12CCC[C@]([H])(C[C@@H](C1)c1nc3c(Nc4ccc(Cl)c(Cl)c4)nc4ccccc4c3[nH]1)C2 |r|
Ic1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCCC2)cc1
C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cnn(C)c1)C(=O)Cc1c(Cl)cccc1Cl |r|
COc1cc2CCNCC(C)c2cc1Br
CC1CNCCc2cc(OCc3ccccc3)c(Br)cc12
CCC1CNCCc2cc(OC)c(Br)cc12
CC(C)Oc1cc2CCNCC(C)c2cc1Br
COc1cc2CCNC[C@@H](C)c2cc1Br
CCOc1cc2CCNCC(C)c2cc1Br
COc1cc2CCNCC(C)c2cc1C(F)(F)F
COc1cc2CCNC[C@H](C)c2cc1Br
COc1cc2CCNCC(C(C)C)c2cc1Br
COc1cc2CCNCC(C)c2cc1I
CC1CNCCc2cc(O)c(Br)cc12
COc1cc2CCNCCc2cc1Br
COc1ccccc1N1CCN(CC[C@@H](C(=O)N2CCCCCC2)c2ccccc2)CC1 |r|
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12
COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
[11CH3]N1CCc2nc3ccnn3c(N3CCC3)c2CC1
C[C@H](Cc1cccc(F)c1)Oc1nc(ncc1F)N1CCNC[C@H]1C |r|
CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(cc3)C(N)=O)OCCc2c1
CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F
CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1 |r|
CN(C)CCc1c(C)[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(C)=O)nc12
Cc1c(n[nH]c1-c1ccc(Cl)cc1)C(=O)N1CCC(CC1)c1ncc[nH]1
[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]
C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)c(C)c3N12
C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C(F)(F)F
Cc1c2N3CCNC[C@H]3Cc2ccc1Cl
C[C@@H]1CNC[C@@H]2Cc3ccc(C)c(C)c3N12
C[C@@H]1CNC[C@H]2Cc3ccc(C)cc3N12
Cc1c2N3CCNC[C@@H]3Cc2ccc1Cl
C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C#N
C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
C[C@@H]1CNC[C@H]2Cc3ccc(C)c(C)c3N12
C[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N12
C[C@@H]1CNC[C@H]2Cc3ccc(NC(C)=O)cc3N12
Clc1ccc2CC3CNCCN3c2c1
C[C@@H]1CNC[C@H]2Cc3cccc(C)c3N12
CN(C)CCc1c[nH]c2cc(O)ccc12
CCCCn1cc(CCN(C)C)c2c(OP(O)(O)=O)cccc12
CCCCn1cc(CCN(C)C)c2c(O)cccc12
CN(C)CCCc1c[nH]c2cccc(O)c12
CC(Cc1c[nH]c2cccc(O)c12)N(C)C
CN(C)Cc1cn(C)c2cccc(O)c12
CN(C)CCc1c[nH]c2cccc(F)c12
CN(C)CCc1cn(C)c2cccc(OP(O)(O)=O)c12
Oc1cccc2[nH]cc(CCN3CCCc4ccccc34)c12
CN(C)Cc1c[nH]c2cccc(O)c12
CN1CCN(CCc2c[nH]c3cccc(O)c23)CC1
Oc1cccc2[nH]cc(CCN3CCCC3)c12
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(F)(F)F)cc1
Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21
Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21
Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21
COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1
Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1
Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21
Cc1ccc(O)c(c1)C1NCCc2c1[nH]c1ccc(Cl)cc21
Cc1ccc(O)c(c1)C1NCCc2c1[nH]c1ccc(F)cc21
Oc1ccc(O)c(c1)C1NCCc2c1[nH]c1ccc(F)cc21
COc1ccc(OC)c(c1)C1NCCc2c1[nH]c1ccc(Cl)cc21
COc1ccc(OC)c(c1)C1NCCc2c1[nH]c1ccc(F)cc21
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
COc1ccc(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
COc1ccc(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
Oc1c(Br)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
C[C@H](N)Cn1ccc2ccc3ncccc3c12
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl
C[C@H](N)Cn1ccc2ccc3ccncc3c12
C[C@H](N)Cn1ccc2ccc3cccnc3c12
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2ccccc2c1
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1
C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c12
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1C
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC1CCCCC1
COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c12
C[C@H](N)Cn1ccc2ccc3cnccc3c12
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCC=C)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCCF)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCCCC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCCCCC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCCCCCC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OC(C)C)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OC(C)CC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OC(C)CCC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OC(C)CCCC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCC4CC4)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OC4CCCCC4)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCc4ccc(Br)cc4)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCc4ccccc4)cc(CCN1C)c23 |r|
COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |r|
[H][C@@]12Cc3cc(OCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCF)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)CC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)CCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)CCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCC4CC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC4CCCCC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCC=C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCc4ccccc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCc4ccc(Br)cc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
COCc1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
C[C@@H]1CNC[C@H]2Cc3ccc(nc3N12)C(F)(F)F
C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N12
C[C@@H]1CNC[C@H]2Cc3ccc(C)nc3N12
C[C@@H]1CNC[C@@H]2Cc3ccc(Br)nc3N12
C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
CCO[C@H](C)c1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12
COc1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12
C[C@@H]1CNC[C@H]2Cc3ccc(nc3N12)C#N
C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12
CCO[C@@H](C)c1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
Clc1ccc2CC3CNCCN3c2n1
C[C@H](O)c1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
C[C@H](N)Cn1ncc2ccc(O)c(Cl)c12
COc1ccc2[nH]cc(CC(C)N)c2c1
NCCn1ncc2ccc(O)cc12
C[C@H](N)Cn1ncc2ccc(O)c(I)c12
CC(N)Cc1c[nH]c2ccc(O)cc12
COc1ccc2cnn(C[C@H](C)N)c2c1
C[C@H](N)Cn1ncc2ccc(O)cc12
C[C@H](N)Cn1ncc2ccc(O)c(F)c12
C[C@@H](N)Cn1ncc2ccc(O)cc12
C[C@H](N)Cn1ncc2ccc(O)c(C)c12
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
FC(F)(F)c1ccnc(n1)N1CC[C@H]2CNC[C@@H]12
Clc1cccc(c1)N1CC[C@H]2CNC[C@@H]12
FC(F)(F)c1ccnc(n1)N1CCC2CNCC12
FC(F)(F)c1cccc(c1)[C@H]1CC[C@H]2CNC[C@@H]12
FC(F)(F)c1cccc(c1)N1CC[C@H]2CNC[C@@H]12
C[C@@H]1C[C@H]2CNC[C@H]2N1c1nccc(n1)C(F)(F)F
Fc1cccc(c1)N1CC[C@H]2CNC[C@@H]12
C[C@H]1C[C@H]2CNC[C@H]2N1c1nccc(n1)C(F)(F)F
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)n1 |r|
CCc1cc(=O)[nH]c(n1)-n1nc(C)cc1NC(=O)c1ccccc1F
CCc1cc(=O)[nH]c(n1)-n1nc(C)cc1NC(=O)c1cccc(C)c1
CCc1cccc(c1)C(=O)Nc1cc(C)nn1-c1nc(CC)cc(=O)[nH]1
CCc1cc(=O)[nH]c(n1)-n1nc(C)cc1NC(=O)c1ccc(C)c(C)c1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
CCCN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccc(F)cc1 |c:20|
CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(OC)cc1 |c:21|
CC(C)CN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccncc1 |c:21|
CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(C)cc1 |c:21|
CC(C)N1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccc(Cl)cc1 |c:20|
CCCN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccccc1Cl |c:20|
CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccccc1 |c:19|
COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC21CCN(C)CC1 |t:9|
C(Cc1ccccc1)N1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccncc1 |c:26|
CCCN1CCC2(CC1)Oc1ccc(C)cc1C1CC(=NN21)c1ccc(F)cc1 |c:21|
CCCN1CCC2(CC1)Oc1ccc(F)cc1C1CC(=NN21)c1ccc(F)cc1 |c:21|
CCCN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccncc1 |c:20|
CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1cccs1 |c:19|
CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccccc1 |c:21|
CC1(C)Oc2ccccc2C2CC(=NN12)c1ccncc1 |c:13|
CN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccccc1Cl |c:18|
CC(C)N1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccc(Br)cc1 |c:20|
CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(Cl)cc1 |c:19|
CN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccccc1 |c:18|
CCCN1CCC2(CC1)Oc1ccc(Cl)cc1C1CC(=NN21)c1ccc(F)cc1 |c:21|
COc1ccccc1C1=NN2C(C1)c1cc(Br)ccc1OC21CCN(C)CC1 |t:9|
CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(Cl)c(Cl)c1 |c:19|
CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(F)cc1 |c:19|
CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(Br)cc1 |c:21|
COc1cccc2C3CC(=NN3C3(CCN(C)CC3)Oc12)c1ccc(Cl)cc1 |c:9|
CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc2ccccc2c1 |c:19|
CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccccc1OC(F)F |c:19|
CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1cccc2ccccc12 |c:19|
CCN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccncc1 |c:19|
COc1ccc(cc1OC)C1=NN2C(C1)c1cc(Br)ccc1OC21CCN(C)CC1 |t:11|
CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccco1 |c:19|
COc1cccc2C3CC(=NN3C3(CCN(C)CC3)Oc12)c1ccc(Br)cc1 |c:9|
CN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccc(Cl)cc1 |c:18|
Clc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC21CCN(Cc2ccccc2)CC1 |t:8|
CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccccc1Cl |c:19|
CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(F)cc1 |c:21|
COc1cccc2C3CC(=NN3C3(CCN(C)CC3)Oc12)c1ccc(F)cc1 |c:9|
CN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccc(Br)cc1 |c:18|
CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(OC(F)F)cc1 |c:19|
CN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccncc1 |c:18|
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCc4cccc(c4)I)Cl)O)O
[H][C@]12C[C@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)NC |r|
[H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCC |r|
COc1ccc(CC2NCCc3c2[nH]c2cccc(I)c32)cc1OC
COc1ccc(CC2NCCc3c2[nH]c2cccc(SC)c32)cc1OC
CCc1cccc2[nH]c3C(Cc4ccc(OC)c(OC)c4)NCCc3c12
COc1ccc(CC2NCCc3c2[nH]c2cccc(C)c32)cc1OC
C(C1NCCc2c1[nH]c1ccccc21)c1cccc2ccccc12
COc1ccc(CC2NCCc3c2[nH]c2c(C)c(C)ccc32)c(Br)c1OC
COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Br)c1OC
COc1ccc(CC2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC
COc1ccc(CC2NCCc3c2[nH]c2c(C)cc(C)cc32)cc1OC
COc1ccc(CC2NCCc3c2[nH]c2c(F)cc(F)cc32)cc1OC
Oc1ccc2[nH]c3c(nccc3c2c1)-c1c[nH]c2ccccc12
COc1ccc2[nH]c3c(nccc3c2c1)-c1cn(C)c2ccccc12
c1ccc2c(c1)[nH]c1c(nccc21)-c1ccc2ccccc2c1
c1[nH]c2ccccc2c1-c1nccc2c3ccccc3[nH]c12
c1ccc(cc1)-c1nccc2c3ccccc3[nH]c12
Cc1nc(nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12)N1CCCC1
CN(C)CCN(C)c1nc2ccc(NC(=O)COc3ccc(cc3)C(F)(F)F)cc2n1C
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
COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)cc1OC
FC(F)(F)c1cccc2[C@H]3CNCCN3C(=O)c12
FC(F)(F)c1cc(cc2[C@@H]3CNCCN3C(=O)c12)C1CC1
FC(F)(F)c1cccc2C3CNCCN3C(=O)c12
CCc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
Clc1cccc2C3CNCCN3C(=O)c12
COc1cc2C(=O)N3CCNC[C@H]3c2cc1Cl
FC(F)(F)c1cc(cc2[C@@H]3CNCCN3C(=O)c12)C#C
O=C1N2CCNCC2c2cccc(C#N)c12
C[C@@H]1CNC[C@@H]2N1C(=O)c1c2cccc1C(F)(F)F
CCc1ccc2[C@@H]3CNCCN3C(=O)c2c1OC
COc1c2C(=O)N3CCNC[C@H]3c2ccc1Cl
CC1(C)CN2[C@@H](CN1)c1cccc(c1C2=O)C(F)(F)F
C[C@H]1CN2[C@@H](CN1)c1cccc(c1C2=O)C(F)(F)F
CCCCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
Fc1cccc2C3CNCCN3C(=O)c12
Cc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
CC1(CC1)c1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
CC[C@@H]1NCCN2[C@@H]1c1cccc(c1C2=O)C(F)(F)F
CCc1cc2[C@@H]3CNCCN3C(=O)c2c(Cl)c1
CC(C)Oc1cccc2C3CNCCN3C(=O)c12
CCc1cc2[C@@H]3CNCCN3C(=O)c2cc1OC
CC(=O)c1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
COc1ccc(Cl)c2[C@@H]3CNCCN3C(=O)c12
CCOc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
CC(C)c1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
CSc1cccc2C3CNCCN3C(=O)c12
COc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
FC(F)(F)c1cc(Cl)cc2[C@@H]3CNCCN3C(=O)c12
Cc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
O=C1N2CCNCC2c2ccccc12
Oc1cccc2C3CNCCN3C(=O)c12
C[C@H]1CNC[C@@H]2N1C(=O)c1c2cccc1C(F)(F)F
FC(F)(F)c1cccc2[C@@H]3CNCCN3C(=O)c12
C[C@@H]1CN2[C@@H](CN1)c1cccc(c1C2=O)C(F)(F)F
COc1cccc2C3CNCCN3C(=O)c12
CN1CCN2[C@@H](C1)c1cccc(c1C2=O)C(F)(F)F
FC(F)(F)c1cc(C=C)cc2[C@@H]3CNCCN3C(=O)c12
FC(F)(F)Oc1cccc2C3CNCCN3C(=O)c12
COc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
CCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
COc1cc2[C@@H]3CNCCN3C(=O)c2c(Cl)c1
CCCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
FC(F)(F)c1ccc(Cl)c2[C@@H]3CNCCN3C(=O)c12
OCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
C[C@@H]1NCCN2[C@@H]1c1cccc(c1C2=O)C(F)(F)F
Clc1ccc2[C@@H]3CNCCN3C(=O)c2c1Cl
NC[C@@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 |r|
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
CCOP(=O)(OCC)c1ccc2[nH]cc(CCN(C)C)c2c1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(c2c(NCc3ccccc3)ncnc12)C(F)(F)F |r|
C[C@@H](Nc1ncnc2n(cc(c12)C(F)(F)F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(c2c(NCc3ccc(Cl)cc3)ncnc12)C(F)(F)F |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(c2c(NCc3ccccc3Cl)ncnc12)C(F)(F)F |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(c2c(NCc3cccc(Cl)c3)ncnc12)C(F)(F)F |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(c2c(NCc3ccccc3F)ncnc12)C(F)(F)F |r|
COCCOCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
C[C@@H](N)[C@H](O)c1c2CCOc2c(Br)c2CCOc12
C[C@@H](N)Cc1c2CCOc2c(COCC(=O)Oc2ccccc2)c2CCOc12
C[C@@H](N)Cc1c2CCOc2c(Cc2nc(C)no2)c2CCOc12
C[C@@H](N)Cc1c2ccoc2c(Cc2nc(C)no2)c2ccoc12
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
[H][C@@]12C[C@@H](O)[C@@]([H])(C1)[C@@]1([H])C(=O)N(C[C@@H]3CCCC[C@H]3CN3CCN(CC3)c3nsc4ccccc34)C(=O)[C@@]21[H] |r|
[H][C@]12Cc3c(OC)c(OC)ccc3-c3c4OCOc4cc(CCN1C)c23
CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl
Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3ccnc4ccccc34)CC2)c1Cl |r,wU:15.18,wD:12.11,(-10.78,3.33,;-10.01,2.01,;-10.78,.67,;-10.01,-.67,;-8.47,-.67,;-7.7,.67,;-6.16,.67,;-5.39,-.67,;-3.85,-.67,;-3.08,.67,;-1.54,.67,;-.77,-.67,;.77,-.67,;1.54,-2,;3.08,-2,;3.85,-.67,;3.08,.67,;1.54,.67,;5.39,-.67,;6.16,.67,;5.39,2,;7.7,.67,;8.47,2,;10,2,;10.77,.66,;10.01,-.67,;10.78,-1.99,;10.02,-3.34,;8.49,-3.34,;7.71,-2.02,;8.47,-.67,;-3.85,2,;-5.39,2,;-8.48,2.01,;-7.71,3.34,)|
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:7.6,wD:10.10,(10.78,2.66,;10.01,1.33,;8.47,1.33,;7.7,-0,;6.16,-0,;5.39,1.33,;5.39,-1.34,;3.85,-1.34,;3.08,-2.67,;1.54,-2.67,;.77,-1.34,;-.77,-1.34,;-1.54,-0,;-3.08,-0,;-3.85,-1.34,;-5.39,-1.34,;-6.16,-0,;-5.39,1.33,;-3.85,1.33,;-7.7,-0,;-8.47,-1.33,;-10,-1.33,;-10.78,-0,;-10.01,1.34,;-10.78,2.66,;-8.47,1.34,;-7.7,2.67,;1.54,-0,;3.08,-0,)|
CCc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3ccnc4ccccc34)CC2)c1Cl |r,wU:16.19,wD:13.12,(-11.55,3.33,;-10.01,3.33,;-9.24,2.01,;-10.01,.67,;-9.24,-.67,;-7.7,-.67,;-6.93,.67,;-5.39,.67,;-4.62,-.67,;-3.08,-.67,;-2.31,.67,;-.77,.67,;-0,-.67,;1.54,-.67,;2.31,-2,;3.85,-2,;4.62,-.67,;3.85,.67,;2.31,.67,;6.16,-.67,;6.93,.67,;6.16,2,;8.47,.67,;9.24,2,;10.77,2,;11.54,.66,;10.78,-.67,;11.55,-1.99,;10.79,-3.34,;9.26,-3.34,;8.48,-2.02,;9.24,-.67,;-3.08,2,;-4.62,2,;-7.71,2.01,;-6.94,3.34,)|
CCc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)COC)CC2)c1Cl |r,wU:16.19,wD:13.12,(-11.17,2.66,;-9.63,2.66,;-8.86,1.34,;-9.62,-0,;-8.85,-1.33,;-7.31,-1.33,;-6.54,-0,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;1.93,-1.34,;2.7,-2.67,;4.24,-2.67,;5.01,-1.34,;4.24,-0,;2.7,-0,;6.55,-1.34,;7.32,-0,;6.55,1.33,;8.86,-0,;9.63,1.33,;11.17,1.33,;-2.69,1.33,;-4.23,1.33,;-7.32,1.34,;-6.55,2.67,)|
COc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)N(C)C)CC2)c1F |r,wU:16.19,wD:13.12,(-10.4,2.66,;-8.86,2.66,;-8.09,1.34,;-8.85,-0,;-8.08,-1.33,;-6.54,-1.33,;-5.77,-0,;-4.23,-0,;-3.46,-1.34,;-1.92,-1.34,;-1.15,-0,;.39,-0,;1.16,-1.34,;2.7,-1.34,;3.47,-2.67,;5.01,-2.67,;5.78,-1.34,;5.01,-0,;3.47,-0,;7.32,-1.34,;8.09,-0,;7.32,1.33,;9.63,-0,;10.4,1.33,;10.4,-1.34,;-1.92,1.33,;-3.46,1.33,;-6.55,1.34,;-5.78,2.67,)|
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(OC)c2F)CC1 |r,wU:7.6,wD:10.10,(11.55,2.66,;10.78,1.33,;9.24,1.33,;8.47,-0,;6.93,-0,;6.16,1.33,;6.16,-1.34,;4.62,-1.34,;3.85,-2.67,;2.31,-2.67,;1.54,-1.34,;0,-1.34,;-.77,-0,;-2.31,-0,;-3.08,-1.34,;-4.62,-1.34,;-5.39,-0,;-4.62,1.33,;-3.08,1.33,;-6.93,-0,;-7.7,-1.33,;-9.24,-1.33,;-10.01,-0,;-9.24,1.34,;-10.01,2.66,;-11.55,2.66,;-7.7,1.34,;-6.93,2.67,;2.31,-0,;3.85,-0,)|
FC(F)(F)c1cccc(n1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccnc3ccccc23)CC1 |r,wU:19.23,wD:16.16,(-11.56,2.67,;-10.02,2.67,;-9.25,4,;-10.79,4,;-9.25,1.33,;-10.01,.01,;-9.24,-1.33,;-7.7,-1.33,;-6.93,0,;-7.71,1.33,;-5.39,0,;-4.62,-1.33,;-3.08,-1.33,;-2.31,0,;-.77,0,;-0,-1.33,;1.54,-1.33,;2.31,-2.66,;3.85,-2.66,;4.62,-1.33,;3.85,0,;2.31,0,;6.16,-1.33,;6.93,0,;6.16,1.34,;8.47,0,;9.24,1.34,;10.78,1.34,;11.55,0,;10.78,-1.34,;11.56,-2.65,;10.79,-4,;9.26,-4,;8.48,-2.68,;9.24,-1.34,;-3.08,1.34,;-4.62,1.34,)|
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(n2)C(F)(F)F)CC1 |r,wU:7.6,wD:10.10,(11.55,2,;10.78,.67,;9.24,.67,;8.47,-.67,;6.93,-.67,;6.16,.67,;6.16,-2,;4.62,-2,;3.85,-3.33,;2.31,-3.33,;1.54,-2,;0,-2,;-.77,-.67,;-2.31,-.67,;-3.08,-2,;-4.62,-2,;-5.39,-.67,;-4.62,.67,;-3.08,.67,;-6.93,-.67,;-7.7,-2,;-9.24,-2,;-10.01,-.66,;-9.24,.67,;-7.7,.67,;-10.01,2,;-11.55,2,;-9.24,3.33,;-10.78,3.33,;2.31,-.67,;3.85,-.67,)|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)N(C)C)CC1 |r,wU:20.24,wD:17.17,(-8.85,-4,;-9.62,-2.67,;-8.85,-1.34,;-9.62,-0,;-8.86,1.34,;-9.63,2.66,;-7.32,1.34,;-6.55,2.67,;-7.32,4,;-6.54,-0,;-7.31,-1.34,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;1.93,-1.34,;2.7,-2.67,;4.24,-2.67,;5.01,-1.34,;4.24,-0,;2.7,-0,;6.55,-1.34,;7.32,-0,;6.55,1.33,;8.86,-0,;9.63,1.33,;9.63,-1.34,;-2.69,1.33,;-4.23,1.33,)|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)NC)CC1 |r,wU:20.24,wD:17.17,(-8.85,-4,;-9.62,-2.67,;-8.85,-1.34,;-9.62,-0,;-8.86,1.34,;-9.63,2.66,;-7.32,1.34,;-6.55,2.67,;-7.32,4,;-6.54,-0,;-7.31,-1.34,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;1.93,-1.34,;2.7,-2.67,;4.24,-2.67,;5.01,-1.34,;4.24,-0,;2.7,-0,;6.55,-1.34,;7.32,-0,;6.55,1.33,;8.86,-0,;9.63,1.33,;-2.69,1.33,;-4.23,1.33,)|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)CCOC)CC1 |r,wU:20.24,wD:17.17,(-10.01,-4,;-10.78,-2.67,;-10.01,-1.34,;-10.78,-0,;-10.01,1.34,;-10.78,2.66,;-8.47,1.34,;-7.7,2.67,;-8.47,4,;-7.7,-0,;-8.47,-1.34,;-6.16,-0,;-5.39,-1.34,;-3.85,-1.34,;-3.08,-0,;-1.54,-0,;-.77,-1.34,;.77,-1.34,;1.54,-2.67,;3.08,-2.67,;3.85,-1.34,;3.08,-0,;1.54,-0,;5.39,-1.34,;6.16,-0,;5.39,1.33,;7.7,-0,;8.47,1.33,;10.01,1.33,;10.78,2.66,;-3.85,1.33,;-5.39,1.33,)|
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
COc1cc(C(F)(F)F)c(OC)cc1[C@@H]1CCCNC1
C[C@H](c1ccc(F)c(F)c1)n1cnc2sc3c(c2c1=O)CCNC3
Cc1c(Nc2cc(Cc3cccc(c3)C(F)(F)F)ccn2)cccc1C(=O)NCCO
COc1cc(SC(F)F)c(OC)cc1CCN
COc1cc([S+]([O-])C(F)(F)F)c(OC)cc1CCN
COc1cc(S(=O)(=O)C(F)(F)F)c(OC)cc1CCN
COc1cc([S+]([O-])C(F)F)c(OC)cc1CCN
COc1cc(S(=O)(=O)C(F)F)c(OC)cc1CCN
COc1cc(S(=O)(=O)CF)c(OC)cc1CCN
COc1cc(SSC(F)(F)F)c(OC)cc1CCN
COc1cc(SSC(C)(C)C)c(OC)cc1CCN
COc1cc(SCCC(F)(F)F)c(OC)cc1CCN
COc1cc(SCCC(F)F)c(OC)cc1CCN
COc1cc(SCC(F)(F)C(F)F)c(OC)cc1CCN
COc1cc([Se]C(F)(F)F)c(OC)cc1CCN
COc1cc(SCCCF)c(OC)cc1CCN
Nc1cccc2c1C(=O)N(C1CCCNC1)C2=O
CN1CCCC(N2C(=O)c3cccc(N)c3C2=O)C1
CS(=O)(=O)N1CCCC(N2C(=O)c3cccc(N)c3C2=O)C1
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
O[C@H]1[C@H](n2cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc32)[C@H]2C[C@@]2(CF)[C@H]1O
CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CCCC3)C3CCCC3)nc(Cl)nc12 |r|
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CF)[C@H]1O
O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O
CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
CCSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
CCCCSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(SC)nc31)[C@H](O)[C@@H]2O
O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CSc2ccccc2F)[C@H]1O
COc1ccc(SC[C@@]23C[C@@H]2[C@@H](n2cnc4c(NC(C5CCCC5)C5CCCC5)nc(Cl)nc42)[C@H](O)[C@@H]3O)cc1OC
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCCC4)C4CCCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
O[C@H]1[C@H](n2cnc3c(NC(C4CCCCC4)C4CCCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
COCCN(CCOC)C(=O)[C@]12C[C@H]1[C@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@@H](O)[C@H]2O
NC[C@H]1O[C@@H](n2cnc3c(N[C@H](C4CCC4)C4CC4)nc(I)nc32)[C@H](O)[C@@H]1O
Ic1nc(N[C@H](C2CCC2)C2CC2)c2nc[nH]c2n1
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1ccc2c(NC(C3CC3)C3CC3)nc(I)nc21
c1cc2cnccc2cc1NC(=O)NCC(=O)N3CCCC3
C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
CN1CCN(C[C@H](c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1 |r|
Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 |r|
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Fc1ccc(-c2noc(n2)C2CCN(CC2)c2cnc3ccc(Cl)cc3c2)c(Cl)c1
C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
Fc1ccc(cc1)S(=O)(=O)c1ccc2CCNCCc2c1
CN(CC1CC1)S(=O)(=O)c1ccc2CCNCCc2c1
O=S(=O)(c1ccccc1)c1ccc2CCNCCc2c1
Fc1ccccc1S(=O)(=O)c1ccc2CCNCCc2c1
Fc1cccc(c1)S(=O)(=O)c1ccc2CCNCCc2c1
O=S(=O)(N1CCCCC1)c1ccc2CCNCCc2c1
O=S(=O)(Nc1ccccc1)c1ccc2CCNCCc2c1
Fc1ccccc1NS(=O)(=O)c1ccc2CCNCCc2c1
O=S(=O)(NCC1CC1)c1ccc2CCNCCc2c1
CN(C)S(=O)(=O)c1ccc2CCNCCc2c1
CCCNS(=O)(=O)c1ccc2CCNCCc2c1
O=S(=O)(N1CCCC1)c1ccc2CCNCCc2c1
Clc1ccccc1NS(=O)(=O)c1ccc2CCNCCc2c1
CN(c1ccccc1)S(=O)(=O)c1ccc2CCNCCc2c1
Clc1ccccc1CNS(=O)(=O)c1ccc2CCNCCc2c1
CN(Cc1ccccc1)S(=O)(=O)c1ccc2CCNCCc2c1
CN(CC1COc2ccccc12)S(=O)(=O)c1ccc2CCNCCc2c1
Clc1ccccc1OC1CN(C1)S(=O)(=O)c1ccc2CCNCCc2c1
Clc1cccc(OC2CN(C2)S(=O)(=O)c2ccc3CCNCCc3c2)c1
Clc1ccc(OC2CN(C2)S(=O)(=O)c2ccc3CCNCCc3c2)cc1
Clc1ccccc1O[C@@H]1CCN(C1)S(=O)(=O)c1ccc2CCNCCc2c1 |r|
Clc1ccccc1O[C@H]1CCN(C1)S(=O)(=O)c1ccc2CCNCCc2c1 |r|
O=S(=O)(N1CCC(CC1)Oc1ccccc1)c1ccc2CCNCCc2c1
Fc1ccccc1OC1CCN(CC1)S(=O)(=O)c1ccc2CCNCCc2c1
Clc1ccccc1OC1CCN(CC1)S(=O)(=O)c1ccc2CCNCCc2c1
Clc1cccc(OC2CCN(CC2)S(=O)(=O)c2ccc3CCNCCc3c2)c1
COc1cc(c(OC)c2CCNCCc12)S(=O)(=O)N(C)Cc1ccccc1
NC[C@H]1C[C@@H]1c1ccccc1Br |r|
NC[C@@H]1C[C@H]1c1ccccc1Br |r|
Cc1ccc(cc1)[C@H]1C[C@@H]1CN |r|
NC[C@H]1C[C@@H]1c1ccccc1-c1ccc(F)cc1 |r|
NC[C@H]1C[C@@H]1c1cccc(c1)C#CCCCCO |r|
NC[C@H]1C[C@@H]1c1cccc(c1)C#C |r|
NC[C@H]1C[C@@H]1c1ccccc1C#CCCCCO |r|
NC[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1 |r|
NC[C@H]1C[C@@H]1c1ccccc1-c1cc2ccccc2o1 |r|
Cc1cc(ccc1F)[C@H]1C[C@@H]1CN |r|
Cc1cccc(Cl)c1[C@H]1C[C@@H]1CN |r|
Cc1ccc([C@H]2C[C@@H]2CN)c(Br)c1 |r|
Cc1cccc([C@H]2C[C@@H]2CN)c1C |r|
Cc1ccc(cc1C)[C@H]1C[C@@H]1CN |r|
Cc1ccc(Cl)c([C@H]2C[C@@H]2CN)c1F |r|
NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
NCC1CC1c1ccccc1Br
Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
NC[C@@H]1C[C@H]1c1ccccc1 |r|
NC[C@H]1C[C@H]1c1ccccc1 |r|
CNC[C@H]1C[C@@H]1c1ccccc1 |r|
NC[C@H]1C[C@@H]1c1ccc2ccccc2c1 |r|
NC[C@H]1C[C@@H]1c1cccc(c1)C(F)(F)F |r|
NC[C@H]1C[C@@H]1c1ccccc1Cl |r|
NC[C@H]1C[C@@H]1c1cccc(Br)c1 |r|
NC[C@H]1C[C@@H]1c1ccccc1C(F)(F)F |r|
NC[C@H]1C[C@@H]1c1ccc(Cl)cc1 |r|
NC[C@H]1C[C@@H]1c1ccccc1F |r|
NC[C@H]1C[C@@H]1c1ccc(Br)cc1 |r|
NC[C@H]1C[C@@H]1c1c(F)cccc1F |r|
NC[C@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F |r|
NCC1CC1c1ccccc1
Cc1ccccc1[C@H]1C[C@@H]1CN |r|
COc1ccccc1[C@H]1C[C@@H]1CN |r|
NC[C@H]1C[C@@H]1c1ccccc1O |r|
COc1cccc(c1)[C@H]1C[C@@H]1CN |r|
NC[C@H]1C[C@@H]1c1cccc(O)c1 |r|
NC[C@H]1C[C@@H]1c1cccc(F)c1F |r|
NC[C@H]1C[C@@H]1c1ccc(F)cc1F |r|
NC[C@H]1C[C@@H]1c1ccc(F)c(F)c1 |r|
NC[C@H]1C[C@@H]1c1ccc(Cl)cc1F |r|
NC[C@H]1C[C@@H]1c1cccc(Cl)c1Cl |r|
NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl |r|
c1ccc(cc1)[C@@H]2C[C@H]2N
NC[C@H]1C[C@@H]1c1ccccc1 |r|
NC[C@H]1C[C@@H]1c1cccc(F)c1 |r|
NC[C@H]1C[C@@H]1c1cccc(Cl)c1 |r|
Fc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1ncc[nH]1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC(Cc2ncc[nH]2)CC1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC(CC1)c1ncc[nH]1
O=S(=O)(N1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(cc1)-c1ccccc1
O=S(=O)(N1CCC(Cc2ncc[nH]2)CC1)c1ccc(cc1)-c1ccccc1
O=S(=O)(N1CCC(CC1)c1ncc[nH]1)c1ccc(cc1)-c1ccccc1
O=C(N1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(cc1)-c1ccccc1
O=C(N1CCC(Cc2ncc[nH]2)CC1)c1ccc(cc1)-c1ccccc1
O=C(N1CCC(CC1)c1ncc[nH]1)c1ccc(cc1)-c1ccccc1
O=C(N1CCC(CC1)c1nc2ccccc2o1)c1ccc(cc1)-c1ccccc1
Cn1c(nc2ccccc12)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
O=C(N1CC(C1)c1nc2ccccc2[nH]1)c1ccc(cc1)-c1ccccc1
O=C(N1CCN(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)-c1ccccc1
C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)-c1ccccc1
O=S(=O)(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)-c1ccccc1
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc([nH]c1=O)-c1ccccc1
CCOc1nc(ncc1C(=O)N1CCC(CC1)c1nc2ccccc2[nH]1)-c1ccccc1
COc1cc(ccc1C(=O)N1CCC(CC1)c1nc2ccccc2[nH]1)-c1ccccc1
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1cnc(nc1)-c1ccccc1
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cn1)-c1ccccc1
O=C(C1CCC(CC1)c1ccccc1)N1CCC(CC1)c1nc2ccccc2[nH]1 |(22.17,-46.12,;22.16,-44.58,;20.83,-43.81,;20.83,-42.28,;19.5,-41.51,;18.16,-42.28,;18.16,-43.82,;19.5,-44.59,;16.84,-41.51,;16.84,-39.96,;15.51,-39.19,;14.17,-39.96,;14.18,-41.51,;15.51,-42.27,;23.49,-43.8,;24.83,-44.58,;26.16,-43.81,;26.17,-42.27,;24.83,-41.5,;23.49,-42.27,;27.5,-41.51,;27.66,-39.98,;29.17,-39.66,;29.93,-38.33,;31.47,-38.33,;32.24,-39.67,;31.47,-41,;29.93,-40.99,;28.9,-42.14,)|
NC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2ccccc2[nH]1
FC(F)(F)Oc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2ccccc2[nH]1
COc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2ccccc2[nH]1
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)N1CCOCC1
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)N1CCCCC1
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)C1CCCCC1
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)-c1ncccn1
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)-c1ccccn1
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)-c1cccnc1
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)-c1ccncc1
Brc1ccc(cc1)C(=O)N1CCC(CC1)c1nc2ccccc2[nH]1
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccccc1
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)-c1ccccc1
NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
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(cc2)[N+]([O-])=O)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
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|
O=c1[nH]n(Cc2ccccc2)c2CCNCCc12
O=c1c2CCNCCc2[nH]n1Cc1ccccc1
Cn1c2CCNCCc2c(=O)n1Cc1ccccc1
C(c1ccccc1)n1cc2CCNCCc2n1
C(c1ccccc1)n1ncc2CCNCCc12
C(Oc1[nH]nc2CCNCCc12)c1ccccc1
Clc1ccccc1Cn1nc2CCNCCc2cc1=O
Clc1cccc(Cn2nc3CCNCCc3cc2=O)c1
Clc1ccc(Cn2nc3CCNCCc3cc2=O)cc1
FC(F)(F)c1ccc(Cn2nc3CCNCCc3cc2=O)cc1
FC(F)(F)Oc1ccc(Cn2nc3CCNCCc3cc2=O)cc1
FC(F)(F)Oc1ccccc1Cn1nc2CCNCCc2cc1=O
O=c1cc2CCNCCc2nn1Cc1ccc(cc1)C1CC1
O=c1cc2CCNCCc2nn1-c1ccccc1
O=c1cc2CCNCCc2nn1CCOc1ccccc1
C[C@@H]1CNCCN1c1cc(=O)n(C)c(COc2ccccc2C(F)(F)F)n1 |r|
Clc1ccccc1CCOc1cncc(n1)N1CCNCC1
Clc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
C[C@@H](COc1ccccc1Cl)n1nc(ccc1=O)N1CCNCC1 |r|
FC(F)(F)c1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2C(F)(F)F)n1 |r|
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
Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1 |r|
Clc1ccccc1O[C@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Clc1ccccc1O[C@@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Clc1ccccc1OC1CCc2ccc(nc12)N1CCNCC1
Clc1ccccc1O[C@H]1CCc2ccc(nc12)N1CCNCC1 |r|
Clc1ccccc1O[C@@H]1CCc2ccc(nc12)N1CCNCC1 |r|
C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3F)c2n1 |r|
CN(C)[C@@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r|
CN(C)[C@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r|
Cn1nc(c2cc(ccc12)N1CC[C@@H](N)C1)S(=O)(=O)c1cccc2ccccc12 |r|
CC(C)n1nc(c2cc(ccc12)N1CC[C@@H](N)C1)S(=O)(=O)c1cccc2ccccc12 |r|
CC(C)Cn1nc(c2cc(ccc12)N1CC[C@@H](N)C1)S(=O)(=O)c1cccc2ccccc12 |r|
Cn1nc2ccc(cc2c1S(=O)(=O)c1cccc2ccccc12)N1CC[C@@H](N)C1 |r|
CC(C)n1nc2ccc(cc2c1S(=O)(=O)c1cccc2ccccc12)N1CC[C@@H](N)C1 |r|
CC(C)Cn1nc2ccc(cc2c1S(=O)(=O)c1cccc2ccccc12)N1CC[C@@H](N)C1 |r|
NC1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
NC1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1ccc2ccccc2c1
Cc1ccc(c2ccccc12)S(=O)(=O)c1n[nH]c2ccc(cc12)N1CCC(N)CC1
NC1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2c(Cl)cccc12
NC1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc(Cl)c1
CC(C)c1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(cc12)N1CCC(N)CC1
N[C@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r|
N[C@@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r|
NC1CN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
Cc1cccc2N3CCNCC3NC(=O)c12
Cc1ccc2N3CCNCC3NC(=O)c2c1
Cc1ccc2C(=O)NC3CNCCN3c2c1
Clc1cccc2N3CCNCC3NC(=O)c12
FC(F)(F)c1cccc2N3CCNCC3NC(=O)c12
O=C1NC2CCNCCN2c2ccccc12
Cc1cccc2N3CCNCCC3NC(=O)c12
Clc1cccc2N3CCNCCC3NC(=O)c12
Cc1ccc2C(=O)NC3CCNCCN3c2c1
Clc1cccc2C(=O)NC3CNCCN3c12
Clc1ccc2N3CCNCC3NC(=O)c2c1
Cc1cccc2C(=O)NC3CNCCN3c12
O=C1NC2CNCCN2c2ccccc12
Clc1cccc2N3CCCNCC3NC(=O)c12
CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1OC
CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1Cl
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(NC(=O)C4CCC4)ccc3o2)ccc1OC
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(Cl)c(cc3o2)S(N)(=O)=O)ccc1F
CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc(OC2CCOCC2)c1
COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
C[C@H]1CC[C@H](CC1)Oc1c(F)cc(CNC(=O)[C@@H]2CCCN2)cc1F |r,wU:17.17,wD:4.7,1.0,(-10.94,-38.56,;-9.61,-39.33,;-9.61,-40.88,;-8.28,-41.66,;-6.95,-40.88,;-6.94,-39.34,;-8.27,-38.57,;-5.62,-41.65,;-4.28,-40.88,;-4.28,-39.34,;-5.61,-38.57,;-2.95,-38.57,;-1.62,-39.33,;-.29,-38.56,;1.05,-39.32,;2.38,-38.55,;2.38,-37.01,;3.72,-39.31,;3.68,-40.85,;5.13,-41.37,;6.07,-40.15,;5.2,-38.88,;-1.61,-40.88,;-2.95,-41.66,;-2.95,-43.2,)|
COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
C[C@H]1CNC[C@@H](C)N1C(=O)OCc1c(F)cc(OCc2c(C)noc2C)cc1F |r|
Fc1cc(ccc1CNC(=O)N1CCNCC1)-c1ccc(Cl)cc1
FC(F)(F)Oc1ccc(CNC(=O)[C@@H]2CCCN2)cc1 |r|
O=C(NCc1ccc(cc1)C1CCCCC1)[C@@H]1CCCN1 |r|
Fc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)c1 |r|
O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r|
CSc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1
CSc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1
CSc1nn2c3CCCCc3c(C)nc2c1S(=O)(=O)c1ccccc1
CSc1nn2c(C)c3CCCCc3nc2c1S(=O)(=O)c1ccccc1
COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCOCC2)c(c1)-c1ccnn1C
COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1
C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
Fc1ccc2SCC3CON(C3c2c1)C(=O)Nc1ccccc1
CC(C)NC(=O)N1OCC2CSc3ccc(F)cc3C12
CCCNC(=O)N1OCC2CSc3ccc(F)cc3C12
Fc1ccc2SCC3CON(C3c2c1)C(=O)NC1CCCCC1
CCCCNC(=O)N1OCC2CSc3ccc(F)cc3C12
O=C(Nc1ccccc1)N1OCC2COc3ccccc3C12
CC(C)NC(=O)N1OCC2COc3ccccc3C12
CCCNC(=O)N1OCC2COc3ccccc3C12
O=C(NC1CCCCC1)N1OCC2COc3ccccc3C12
CC(C)(C)NC(=O)N1OCC2COc3ccccc3C12
CCCCNC(=O)N1OCC2COc3ccccc3C12
Cc1ccccc1NC(=O)N1OCC2COc3ccccc3C12
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)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
CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r|
COc1cc2c(CCNC(C)=O)c[nH]c2cc1F
COc1ccc2[nH]c3C(C)NCCc3c2c1
NC(=O)N1c2ccccc2CC(O)c2ccccc12
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
COc1ccc2[nH]cc(CN)c2c1
Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Fc1cccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)c1
O=C1Cc2cc(OC3CN(C3)c3c4CCNCCc4nc4ccnn34)ccc2N1
C1CN(C1)c1c2CCNCCc2nc2ccnn12
Fc1ccccc1OC1CN(C1)c1c2CCNCCc2nc2ccnn12
Fc1ccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)cc1
COc1cccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)c1
C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1ccccc1
COc1ccccc1OC1CN(C1)c1c2CCNCCc2nc2ccnn12
COc1ccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)cc1
CCNc1c2CCNCCc2nc2ccnn12
C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1ccccn1
CCN(C)c1c2CCNCCc2nc2ccnn12
C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1ccncc1
CN(C(C)=O)c1ccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)cc1
C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1cccnc1
C1CCN(C1)c1c2CCNCCc2nc2ccnn12
C1CCN(CC1)c1c2CCNCCc2nc2ccnn12
CN(CCc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:12:19:17:15.21,11:21:19.20:17,13:20:17:15.21,14:15:19.20:17|
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
Cc1sc(nc1C=O)-c1ccccc1O
CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Clc1cccc(Cc2ncc3CCNCCc3n2)c1
Clc1ccc(Cc2ncc3CCNCCc3n2)cc1
FC(F)(F)c1cccc(Cc2ncc3CCNCCc3n2)c1
Cc1ccc(Cc2ncc3CCNCCc3n2)cc1
Clc1ccccc1Cc1ncc2CCNCCc2n1
Fc1cccc(Cc2ncc3CCNCCc3n2)c1
Fc1ccccc1Cc1ncc2CCNCCc2n1
Cc1cccc(Cc2ncc3CCNCCc3n2)c1
Fc1ccc(Cc2ncc3CCNCCc3n2)cc1
Cc1ccccc1Cc1ncc2CCNCCc2n1
Nc1nc(Br)ncc1-c1c[nH]c2cccc(O)c12
Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
COc1cccc2[nH]cc(-c3ccnc(N)n3)c12
Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12
CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(30.35,-14.16,;30.37,-12.61,;31.92,-12.63,;31.16,-11.28,;29.04,-11.82,;29.06,-10.28,;27.73,-9.49,;26.38,-10.24,;25.06,-9.46,;25.08,-7.91,;26.42,-7.14,;27.75,-7.94,;23.75,-7.13,;22.4,-7.89,;21.04,-7.26,;20.02,-8.37,;20.76,-9.68,;20.14,-11.16,;18.63,-11.54,;17.42,-10.61,;17.38,-9,;15.99,-8.49,;15.74,-7.02,;16.89,-6.07,;18.29,-6.59,;18.53,-8.06,;22.23,-9.38,)|
C(Cc1ccccc1)N1CCN(Cc2cc3ccccc3o2)CC1
COc1ccccc1CCN1CCN(Cc2cc3ccccc3o2)CC1
COc1cccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)c1
COc1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
C(CN1CCN(Cc2cc3ccccc3o2)CC1)Cc1ccccc1
COc1ccccc1CCCN1CCN(Cc2cc3ccccc3o2)CC1
COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1
C(CCc1ccccc1)CN1CCN(Cc2cc3ccccc3o2)CC1
COc1ccccc1CCCCN1CCN(Cc2cc3ccccc3o2)CC1
COc1cccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)c1
COc1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
COc1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 |(35.86,-1.26,;36.63,.07,;35.86,1.4,;34.32,1.4,;33.55,2.73,;34.32,4.06,;35.86,4.06,;36.63,2.73,;38.16,2.73,;38.93,1.4,;40.47,1.4,;41.24,2.73,;42.78,2.73,;43.54,4.06,;45.08,4.06,;45.85,2.73,;45.08,1.4,;47.39,2.73,;47.96,2.27,;47.96,.33,;47.39,.77,;49.32,.9,;49.31,2.86,;49.89,2.42,;49.89,.46,;51.42,.46,;52.19,-.87,;45.85,5.39,;45.08,6.73,;45.85,8.06,;47.39,8.06,;48.16,6.73,;47.39,5.39,;40.47,4.06,;38.93,4.06,)|
COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
CC\C=C1/C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 |r|
COc1cccc2c1NC[C@@H]1C\C(CN1C2=O)=C/C |r|
CC\C=C1/C[C@H]2CNc3ccccc3C(=O)N2C1 |r|
Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
CCN(C)C1CCCc2ccncc12
CN(C)CCc1c(C)[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
C[C@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
C[C@@H](N)Cc1c[nH]c2ccc3OCCCc3c12
NCCc1c[nH]c2ccc3OCCCc3c12
C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
CC(N)Cc1c[nH]c2ccc3OCCCc3c12
CC(N)Cc1cn(C)c2ccc3OCCCc3c12
CN(C)CCc1c[nH]c2ccc3OCCCc3c12
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
CC1NC(N)=Nc2cccc(Cl)c12 |c:4|
CCN(CC)c1nc2CCNCc2c(n1)-c1ccc(C)cc1
Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CNCCc12
Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CC1
CCC(C)c1nc2CCNCc2c(n1)-c1ccc(F)cc1 |w:2.2|
Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCc12
Fc1ccc(Cc2nc3CCNCCc3c(n2)-c2ccc(F)cc2)cc1
Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Cc1nc2CCNCCc2c(n1)-c1ccc(Cl)cc1
Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCCNCc12
Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CNCCCc12
Fc1ccc(cc1)-c1nc(nc2CCNCc12)-c1ccccc1
CC(C)Cc1nc2CCNCc2c(n1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CCC1
Fc1ccc(Cc2nc3CCNCc3c(n2)-c2ccc(F)cc2)cc1
CC(C)(C)c1nc2CCNCc2c(n1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CCCC1
FC(F)(F)c1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Cc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
N#Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
COc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Fc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
CC(C)c1nc2CCNCCc2c(n1)-c1ccc(F)cc1
CC(Oc1ccc(Cl)cc1C)C(O)=O
CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
C1Cc2ccc3occc3c2CCN1
Clc1c(Br)ccc2CCNCCc12
Clc1c2CCNCCc2ccc1C#N
C1Cc2ccc3ccoc3c2CCN1
CNc1ccc2CCNCCc2c1Cl
COc1ccc2CCNCCc2c1Cl
Clc1ccc2CCNCCc2c1Cl
Fc1ccc2CCNCCc2c1Cl
[O-][N+](=O)c1ccc2CCNCCc2c1Cl
CN1CCc2ccc(c(Cl)c2CC1)[N+]([O-])=O
Fc1ccc2[nH]c3CC(CCCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)CCc3c2c1 |r|
Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r|
Fc1ccc2[nH]c3CCC(CN4CCN(CC4)c4cccc5[nH]c(=O)oc45)Cc3c2c1
Fc1ccc2[nH]c3CCC(CN4CCC(COc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1
Fc1ccc2[nH]c3CCC(CN4C[C@H]5C[C@@H]4CN5c4cccc5[nH]c(=O)oc45)Cc3c2c1 |r|
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
CNc1nn2cc3CCCCc3nc2c1S(=O)(=O)c1ccccc1
CNc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1
CNc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1
CNc1nn2c3CCCc3c(C)nc2c1S(=O)(=O)c1ccccc1
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
CCCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
c1nn(cc1-c1ccnc2ccccc12)-c1ccccc1
CCOc1ccccc1[C@H]1C[C@@H]1CN |r|
CCCOc1ccccc1[C@H]1C[C@@H]1CN |r|
NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1 |r|
NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 |r|
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|
COc1ccc(cc1)N1CCN(CC[C@@H](OC(N)=O)c2ccccc2)CC1 |r|
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
CNc1nn2c3CCN(C)Cc3cnc2c1S(=O)(=O)c1ccccc1
Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1
CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1
Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21
CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1
C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r|
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
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|
Cc1c(oc2ccccc12)C(=O)N(CCCN1CCCCC1)c1ccccc1
COc1ccc2c(C)c(oc2c1)C(=O)N(CCCN1CCCCC1)c1ccccc1
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1Cl
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)ccc1Br
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
COc1cc(CC(C)N)ccc1O
COc1cc(C)c(O)cc1CC(C)N
COc1ccc(O)c(CC(C)N)c1
COc1ccc(O)c(CC(C)N(C)C)c1
COc1ccc(O)c(CCN)c1
COc1ccc(OCc2ccccc2)c(CCN(C)C)c1
COc1ccc(CC(C)N)cc1O
COc1cc(CC(C)N)c(O)cc1C
COc1ccc(O)c(CCN(C)C)c1
c1cc(ccc1CCN)O
COc1ccc(CC(C)N)c(O)c1
COc1cccc(CC(C)N)c1OC
COc1ccc(CC(C)N)cc1OC
COc1ccc(CC(C)N)c(OC)c1OC
COc1cccc(CC(C)N)c1
COc1cc(C)c(CC(C)N)cc1OC
COc1ccccc1CC(C)N
COc1cc(Br)c(CC(C)N)cc1OC
COc1cc(OC)c(CC(C)N)c(OC)c1
COc1ccc(CC(C)N)cc1
C[C@@H](Cc1ccccc1)N
COc1cc(OC)c(CC(C)N)cc1C
COc1cc(OC)c(SC)cc1CC(C)N
COc1ccc(CC(C)N)c(OC)c1
COc1cccc(OC)c1CC(C)N
CNCCC1CCc2ccccc12
CN(C)CCC1CCc2ccccc12
CN(C)CCNc1ccccc1
CN(C)CCC1CNc2ccccc12
NCCC1CCc2ccccc12
COc1ccc2NCC(CCN(C)C)c2c1
CN(C)CCC(=O)c1ccccc1
CN(C)CCC1=CCc2ccccc12 |t:5|
CN(C)CCCc1ccccc1
NC1CCc2ccccc2C1
CNCCc1c[nH]c2c1cccc2
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1ccccc1Cl
COc1ccc(cc1OCCN1CCCCC1)-n1ccn(-c2cc(F)cc(F)c2)c1=O
COc1ccc(cc1OCCO)N1CCN(C1=O)c1cccc(F)c1
COc1ccc(cc1OCCN1CCOCC1)N1CCN(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1cccc(F)c1
COc1ccc(cc1OCCN(C)C)N1CCN(C1=O)c1cccc(F)c1
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1ccc(C)c(c1)C(F)(F)F
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1ccccc1
Clc1ccc(cc1Cl)N1CCN(C1=O)c1ccc(OCc2ccccn2)nc1
COc1cc2CCN(C(=O)\C=C\c3ccccc3Cl)c2cc1OCCN1CCCCC1
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1cc(F)cc(F)c1
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)-n1ccn(-c2cccc(F)c2)c1=O
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1cccc(Cl)c1Cl
COc1ccc(cc1OCCN1CCCCC1)-n1cc(O)n(-c2cccc(F)c2)c1=O
Clc1ccc(cc1Cl)N1CCN(C1=O)c1ccc(OCCN2CCCCC2)nc1
Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccccn4)nc3)c2cc1C(F)(F)F
COc1ccc(cc1OCCN1CCOCC1)N1CCN(C1=O)c1cccc(F)c1
COc1ccc(cc1OCCN1CCOCC1)N1CCN(C1=O)c1ccc(C)c(c1)C(F)(F)F
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C
Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Cc1c(Cn2ncc(cc2=O)N2CCNCC2)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7|
CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:11|
CC1CN(CC(C)N1CCC(O)=O)C1=Cc2ccccc2Cn2ccnc12 |t:14|
OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)|
OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)|
Cc1cn2Cc3ccccc3C=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2n1 |t:12|
CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2c(Cl)cnc12)C(O)=O |t:11|
COc1cnc2C(=Cc3ccccc3Cn12)N1CCN(CC(C)(C)C(O)=O)CC1 |c:6|
OC(=O)CCN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:12|
CC(C)(CN1CCCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:12|
OC(=O)C(=C)CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:13|
Cc1nc2C(=Cc3ccccc3Cn2c1C)N1CCN(CC(C)(C)C(O)=O)CC1 |c:4|
CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(Cl)nc12)C(O)=O |t:11|
CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(F)nc12)C(O)=O |t:11|
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1 |r|
COC(OC)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 |r|
CN(C)CCCNC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 |r|
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 |r|
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
CCNC(=O)N(CCCN1CCOCC1)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1 |r|
CC(C)N(C[C@@H]1CNC[C@H]1Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC
Cc1cc(C)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
CCc1cc(C)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
Cc1cc(cc2[C@H]3CNC[C@@H]3NC(=O)c12)C1CC1 |r|
CCc1cc2[C@H]3CNC[C@@H]3N(C)C(=O)c2c(c1)C(F)(F)F |r|
CCc1cc2[C@H]3CNC[C@@H]3NC(=O)c2c(c1)C(F)(F)F |r|
CCc1cc(Cl)c2C(=O)N(C)[C@H]3CNC[C@@H]3c2c1 |r|
CCCc1cc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
CCc1cc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
O=C1N[C@H]2CNC[C@@H]2c2ccccc12 |r|
Cc1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r|
CCc1ccc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c12 |r|
FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r|
Clc1ccc2[C@H]3CNC[C@@H]3NC(=O)c2c1Cl |r|
Clc1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r|
CN1[C@H]2CNC[C@@H]2c2cccc(c2C1=O)C(F)(F)F |r|
COc1ccc(-c2cc3[C@@H]4CNCC[C@@H]4N4CCCc(c2)c34)c(c1)C(F)(F)F |r|
C1C[C@H]2[C@@H](CN1)c1cccc3SCCCN2c13 |r|
FC(F)(F)c1cccc2[C@@H]3CNC[C@H]3NC(=O)c12 |r|
FC(F)(F)c1cccc2[C@@H]3CNC[C@@H]3NC(=O)c12 |r|
CC(C)c1cc(C)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
Cc1cc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
Cc1ccc2[C@H]3CNC[C@@H]3NC(=O)c2c1Cl |r|
CC(C)c1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
CC(C)CCOc1ccc2N[C@H](C3CCOCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
FC(F)(F)Oc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)C1=C(C)CN(C1=O)c1ccc(Cl)c(Cl)c1 |c:19|
COc1ccc(cc1OCCN1CCC(CC1)C(C)C)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:24|
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(C)cc1 |c:21|
Clc1ccc(cc1Cl)C1CCN(C1=O)c1ccc(Cl)c(OCCN2CCCCC2)c1
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:22|
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21|
COc1ccc(cc1Cl)N1CCC(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1
COc1ccc(cc1OCCN1CCCCC1)C1=CCN(C1=O)c1cccc(F)c1 |t:19|
Clc1ccc(cc1Cl)C1=CCN(C1=O)c1ccc(Cl)c(OCCN2CCCCC2)c1 |t:9|
COc1ccc(cc1OCCN1CCCCC1)C1CCN(C1=O)c1ccc(Cl)c(Cl)c1
FC(F)(F)Oc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:24|
COc1ccc(cc1OCCN1CCC(C)CC1)N1CCC(C)(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(cc1)C(F)(F)F |c:21|
COc1ccc(cc1OCCN1CCC(F)(F)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23|
COc1ccc(cc1F)N1CCC(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:21|
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)cc1 |c:22|
COc1ccc(cc1OCCN1CCCCC1)C1CCN(C1=O)c1cccc(F)c1
COc1ccc(cc1OCCN1CCC(C)CC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(c1)C(F)(F)F |c:21|
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:21|
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(F)cc1 |c:22|
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(cc1)C(F)(F)F |c:22|
COc1ccc(cc1OCCN1CCC(C)(C)CC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
CC(=O)Nc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)C1=C(C)CN(C1=O)c1ccc(Cl)cc1 |c:19|
CC(=O)Nc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23|
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:22|
COc1ccc(cc1OCCN1CCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:20|
COc1ccc(cc1OCCN1CCCCC1)C1(C)CCN(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(F)c1 |c:21|
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(F)cc1 |c:21|
COc1ccc(cc1Cl)N1CC=C(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 |c:12|
COc1ccc(cc1OCCN1CCC(C)(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23|
COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1ccc(F)cc1
COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1cccc(F)c1
COc1ccc(cc1OCCN1CCCCC1)C1=CCN(C1=O)c1ccc(Cl)c(Cl)c1 |t:19|
COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
Cc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)N1CCC(C)(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1)N1CCC(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(F)c1 |c:22|
COc1ccc(cc1)N1CC=C(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 |c:11|
Clc1ccc(cc1Cl)C1=CCN(C1=O)c1ccc(N2CCCC2)c(OCCN2CCCCC2)c1 |t:9|
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:22|
COc1ccc(cc1F)N1CC=C(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 |c:12|
COc1ccc(cc1OCCN1CCOCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21|
Cc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:20|
COc1ccc(cc1OCCN1CCC(CC1)C(C)C)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(C)cc1 |c:22|
COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1cccc(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)cc1 |c:21|
CN1CCC(CC1)c1cccc2cc(cnc12)S(=O)(=O)c1ccccn1
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
O=C1CC(CN1c1cnc2c(cccc2c1)N1CCNCC1)c1ccccc1
COc1cc(\C=C\C(=O)NCCn2c(C)cc3ccccc23)cc(OC)c1OC
COc1cc(\C=C\C(=O)NCCn2c(cc3ccccc23)C(F)(F)F)cc(OC)c1OC
C(CN1CCN(CC1)c1ncccn1)Cc1nc2ccccc2s1
CNc1nc(Cc2ccccc2)nc2[C@@H](C)CNCCc12 |r|
C(c1ccccc1)c1ncc2CCNCCc2n1
COc1nc(Cc2ccccc2)nc2CCNCCc12
CNc1nc(Cc2ccccc2)nc2CCNCCc12
CN(C)c1nc(Cc2ccccc2)nc2CCNCCc12
C(c1ccccc1)c1nc2CCNCCc2c(n1)N1CCOCC1
CNc1nc(nc2CCNCCc12)C(C)c1ccccc1
CNc1nc(nc2CCNCCc12)C(C)(C)c1ccccc1
CNc1nc(nc2CCNCCc12)C1(CC1)c1ccccc1
CNc1nc(nc2CCNCCc12)C(F)(F)c1ccccc1
Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4cc(C)ncn4)CC3)nc2s1 |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
Cl.[#6]-[#6](=O)-[#7]-[#6]-1-c2ccccc2-c2ccc(cc-12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Cl.[#7]-[#6]-1-c2ccccc2-c2ccc(cc-12)-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Cl.NC(=N)NC(=O)c1ccc-2c(c1)C(F)c1ccccc-21
Cl.[#6]-[#6]-1-c2ccccc2-c2ccc(cc-12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Cl.[#6]-c1cccc2c1-c1ccc(cc1C2([#6])[#8])-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Cl.[#6]-[#6]-c1cccc2c1-c1ccc(cc1C2([#6])[#8])-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Cl.[#6]-[#8]-[#6]-c1cccc2-[#6](-[#8])-c3cc(ccc3-c12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1cccc(-[#6]-[#8])c-21
Cl.[#6]-c1cccc2-c3ccc(cc3-[#6](-[#8])-c12)-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Cl.[#7]\[#6](-[#7])=[#7]/[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1c-2cccc1Cl
Cl.[#7]\[#6](-[#7])=[#7]/[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1ccc(Cl)cc-21
[#6]-[#6]-c1cccc2-[#6](-[#8])-c3cc(ccc3-c12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Cl.[#7]\[#6](-[#7])=[#7]/[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1cccc(F)c-21
Cl.[#6]-c1cccc2-[#6](-[#8])-c3cc(ccc3-c12)-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Cl.[#7]\[#6](-[#7])=[#7]/[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1cc(Cl)ccc-21
Cl.[#7]\[#6](-[#7])=[#7]/[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1cccc(Cl)c-21
[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1ccccc-21
OC1(CCN(CCCCc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CCN(CCCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCSc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCSc1cccc(F)c1)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O |r|
COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccc(F)cc2)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccc(F)cc2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccc(Cl)cc2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccc(Br)cc2)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccc(Br)cc2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccc(cc2)C(F)(F)F)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccc(cc2)[N+]([O-])=O)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccccc2Br)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccccc2Br)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](C2CCCCC2)c2ccccc2C1
CN(C)[C@H]1C[C@H](C2CCCCC2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](C2CCCCCCC2)c2ccccc2C1
CN(C)[C@H]1C[C@H](C2CCCCCCC2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccccc2Cl)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccccc2Cl)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccccc2C)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccccc2C)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(F)c2)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2cccc(F)c2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2cccc(Cl)c2)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2cccc(Cl)c2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2cccc(Br)c2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2cccc(c2)C(F)(F)F)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3NCc4cccc(c4)I)O)O
CCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN
CC(C)Oc1ccc(Cl)cc1[C@@H]1C[C@H]1CN
CC(C)Oc1ccc(Cl)cc1[C@H]1C[C@@H]1CN
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC1CC1
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC1CC1
COCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC=C
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC=C
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC#C
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC#C
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC(F)=C
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC(F)=C
CC(=C)COc1ccc(Cl)cc1[C@@H]1C[C@H]1CN
CC(=C)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCF
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC(F)F
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC(F)F
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCCF
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCCF
CCCOc1ccc(F)cc1[C@@H]1C[C@H]1CN
CCCOc1ccc(F)cc1[C@H]1C[C@@H]1CN
Clc1cccc(COc2cncc(n2)N2CCNCC2)c1
CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN
CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN
CCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN
CNc1nc(Cc2ccccc2)cc2CCNCCc12
CCNc1nc(Cc2ccccc2)cc2CCNCCc12
C(Nc1nc(Cc2ccccc2)cc2CCNCCc12)C1CC1
CCCNc1nc(Cc2ccccc2)cc2CCNCCc12
CC(C)Nc1nc(Cc2ccccc2)cc2CCNCCc12
CN(C)c1nc(Cc2ccccc2)cc2CCNCCc12
C(c1ccccc1)c1cc2CCNCCc2cn1
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Oc1cccc2oc(COc3ccccc3)cc(=O)c12
Oc1cccc(CCc2cc(=O)c3c(O)cccc3o2)c1
Oc1ccc(CCc2cc(=O)c3c(O)cccc3o2)cc1
Oc1cccc2oc(CCc3cccs3)cc(=O)c12
Oc1cccc2oc(CCc3ccco3)cc(=O)c12
Oc1cccc2oc(CCCc3ccccc3)cc(=O)c12
Oc1cccc2oc(COCc3ccccc3)cc(=O)c12
COc1cc2C(CN(C)C3Cc4cc5OCOc5cc4-c(c1OC)c23)c1ccccc1
CCOc1c(OC)cc2C(CN(C)C3Cc4cc5OCOc5cc4-c1c23)c1ccccc1
CCCOc1c(OC)cc2C(CN(C)C3Cc4cc5OCOc5cc4-c1c23)c1ccccc1
CCCCOc1c(OC)cc2C(CN(C)C3Cc4cc5OCOc5cc4-c1c23)c1ccccc1
CCCCCCOc1c(OC)cc2C(CN(C)C3Cc4cc5OCOc5cc4-c1c23)c1ccccc1
COc1cc2C(CN(C)C3Cc4cc5OCOc5cc4-c(c1OCC1CC1)c23)c1ccccc1
COc1cc2C(CN(C)C3Cc4cc5OCOc5cc4-c(c1OCC=C)c23)c1ccccc1
COc1cc2C(CN(C)C3Cc4cc5OCOc5cc4-c(c1O)c23)c1ccccc1
CCN1CC(c2ccccc2)c2cc(OC)c(OC)c3-c4cc5OCOc5cc4CC1c23
COc1cc2C(CN(CC3CC3)C3Cc4cc5OCOc5cc4-c(c1OC)c23)c1ccccc1
COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OC)c23
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)cc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
Cc1c(c2cc(ccc2[nH]1)Cl)CCN(C)C
Fc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
C=CCN(CCc1c[nH]c2ccccc12)CC=C
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
Cc1ccc(cc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1)C(C)(C)O
Oc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
Oc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc23)CC1
COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc23)CC1
COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
CC1(C)NC(Nc2cccc(Br)c2)=NC(N)=N1 |c:13,16|
COc1cccc(NC2=NC(N)=NC3(CCCC3)N2)c1 |c:11,t:8|
CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|
CCOC(=O)c1cccc(NC2=NC(NC)=NC3(CCCCC3)N2)c1 |c:15,t:11|
CCOC(=O)c1cccc(NC2=NC(=NC3(CCCCC3)N2)N(C)C)c1 |c:13,t:11|
COc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:11,t:8|
CCCC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|
CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|
CCCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:15,t:12|
Cc1ccc(NC2=NC(N)=NC3(CCCCC3)N2)cc1 |c:9,t:6|
NC1=NC2(CCCCC2)NC(Nc2ccc(Cl)cc2)=N1 |c:20,t:1|
NCC1CC1c1cc(Cl)c(F)cc1OCCF
NCC1CC1c1cc(Cl)c(F)cc1OCC=C
COc1ccc(Cl)c(F)c1C1CC1CN
COc1cc(Cl)c(Cl)cc1C1CC1CN
NCC1CC1c1cc(Cl)c(Cl)cc1OCC=C
COc1ccc(Cl)c(Cl)c1C1CC1CN
COc1ccc(F)c(Cl)c1C1CC1CN
NCC1CC1c1c(Cl)c(F)ccc1OCCF
NCC1CC1c1c(Cl)c(F)ccc1OCC=C
c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N
COc1cc(F)c(F)cc1C1CC1CN
NCC1CC1c1cc(F)c(F)cc1OCCF
NCC1CC1c1cc(F)c(F)cc1OCC=C
COc1ccc(F)c(F)c1C1CC1CN
NCC1CC1c1c(F)c(F)ccc1OCCF
NCC1CC1c1c(F)c(F)ccc1OCC=C
COc1cc(F)c(Cl)cc1C1CC1CN
COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccc(F)cc2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccc(Cl)cc2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccc(Br)cc2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccc(I)cc2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2cccc(F)c2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2cccc(Cl)c2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2cccc(I)c2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccccc2I)CCc2ccc3OCOc3c2)cc1OC
NC(=O)c1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
COc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Fc1ccc2CC(CCN3CCc4ccccc4C3)Cc2c1
Fc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
O=C(CCCN1CCc2ccccc2C1)c1ccccc1
O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N
Fc1ccc(CCCCN2CCc3ccccc3C2)cc1
Fc1ccc(OCCCN2CCc3ccccc3C2)cc1
Fc1ccc(SCCCN2CCc3ccccc3C2)cc1
[O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1
O=C1N(CCCCN2CCC3CCCCC3C2)C(=O)c2ccccc12
O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1
O=C(CCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1nc2ccccc2s1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3o2)CC1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Clc1ccc2n(C3CCN(CCCCc4nc5ccccc5o4)CC3)c(=O)[nH]c2c1
Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1
OC1(CC2CCC(C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1
OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1
Clc1ccc(cc1)C(=O)CCCN1CCCc2ccccc2C1
Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2CC1
Clc1cccc2CCN(CCCCc3nc4ccccc4s3)Cc12
C(CC1=Cc2ccccc2CC1)N1CCc2ccccc2C1 |t:2|
Fc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Clc1ccc2sc(CCCCN3CCc4ccccc4C3)nc2c1
O=C(CCCN1CCc2ccccc2C1)c1ccc2NC(=O)Cc2c1
C(CN1CCc2ccccc2C1)Cc1nc2ccccc2s1
Clc1ccc2sc(CCCCN3CCc4c(Cl)cccc4C3)nc2c1
COc1cc2CCN(CCCCc3nc4cc(Cl)ccc4s3)Cc2cc1OC
CC1(C)CC(=O)N(CCCCN2Cc3ccccc3C2)C(=O)C1
C(CC1=Cc2ccccc2C1)N1CCc2ccccc2C1 |t:2|
O=C1C(CCN2CCc3ccccc3C2)Cc2ccccc12
Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCCC |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(Cl)nc12)N(C)C)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OC |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(CC)CC)nc(Cl)nc12 |r|
CNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@@H](C3CC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C3CC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@@H](C(C)C)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@@H](CC)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](CC)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(Cl)nc12)N(C)C |r|
Fc1ccc(cc1F)C#Cc1nc(NCc2cccc(Cl)c2)c2nc[nH]c2n1
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(O)=O |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(Cl)nc12)N(C)C)C(O)=O |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)NCCNC(C)=O |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)NCCCNC(C)=O |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(Cl)nc12)N(C)C)C(=O)OCC |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|
[H][C@]12CCc3cc(OC)ccc3N1CCCNC2 |r|
[H][C@]12CCc3cc(Cc4ccccc4)c(OC)cc3N1CCCNC2 |r|
CC1(C)Cc2cccc(Cl)c2N2CCNCC12
C(c1ccc2OCOc2c1)c1cccc2N3CCNCC3CCc12
Cc1cccc2N3CCNCC3CCc12
Clc1ccc2N3CCCNCCC3CCc2c1
COc1ccc2N3CCNCC3CCc2c1
COCc1cccc2N3CCNCC3CCc12
[H][C@@]12CCc3ccccc3N1CCCNCC2 |r|
Clc1cccc2CCC3CCNCCCN3c12
[H][C@]12CCc3ccc(OC)cc3N1CCCNC2 |r|
[H][C@]12CCc3cc(Cl)c(OC)cc3N1CCCNC2 |r|
[H][C@]12CCc3cccc(OC)c3N1CCCNC2 |r|
Fc1ccc2CCC3CNCCN3c2c1
Fc1ccc2N3CCNCC3CCc2c1
C1CC(C1)c1cccc2N3CCNCC3CCc12
Fc1ccc2N3CCNCC3CCc2c1Cc1ccccc1
CCSc1cccc2N3CCNCC3CCc12
CCCc1ccc2N3CCNCC3CCc2c1
C1CN2C(CCc3c(Oc4ccccc4)cccc23)CN1
C(c1cccs1)c1cccc2N3CCNCC3CCc12
C1Cc2ccccc2N2CCCNCCC12
Fc1ccc2CCC3CNCCN3c2c1Cl
[H][C@]12CCc3ccccc3N1CCCNCC2 |r|
C(c1ccccc1)c1cccc2N3CCNCC3CCc12
[H][C@]12CCc3cc(F)ccc3N1CCCNC2 |r|
[H][C@]12CCc3ccccc3N1CCNC2 |r|
C(C1CCC1)c1cccc2N3CCNCC3CCc12
C1CC(C1)Oc1cccc2N3CCNCC3CCc12
[H][C@]12CCc3c(OC)cccc3N1CCCNC2 |r|
Cc1cccc2CCC3CNCCN3c12
CCCc1cccc2N3CCNCC3CCc12
C1CN2C(CCc3c2cccc3-c2ccccc2)CN1
CCCc1ccc2CCC3CNCCN3c2c1
[H][C@]12CCc3ccc(OC)c(Cl)c3N1CCCNC2 |r|
[H][C@]12CCc3c(Cc4ccccc4)c(F)ccc3N1CCCNC2 |r|
[H][C@]12CCc3cc(OC)c(Cl)cc3N1CCCNC2 |r|
CC1(C)CC2CNCCN2c2ccccc12
CC1(C)Cc2ccccc2N2CCNCC12
C(C1CCC1)c1cccc2N3CCCNCC3CCc12
CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
COc1ccccc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)-c1ccccc1
COc1ccc(OC)c(c1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(C)cc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1cccc(Cl)c1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)-c1ccccc1
COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(Cl)ccc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C#N)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccccc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(F)cc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(C)C)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(C)=O)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccccc1Cl)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(cc1)S(=O)(=O)Nc1cc(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)c(OC)cc1OC
CC(C)c1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cn1
Cc1ccc2N(CCc2c1Br)C(=O)Nc1ccc(Oc2cccnc2C)nc1
Cc1cc2N(CCc2cc1Cl)C(=O)Nc1ccc(Oc2cccnc2C)nc1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c4CCOc4c(cc23)C(F)(F)F)cn1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Br
CCc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(cc23)C(F)(F)F)cn1
CCCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cn1
Cc1ccncc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc23)cn1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cncnc4C)nc3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4Cl)nc3)c2cc1Cl
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cccc3Br)cn1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1F
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cccc3C(F)(F)F)cn1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nn3)c2cc1C(F)(F)F
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(cc23)C(F)(F)F)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc23)cn1
Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)c(Cl)c3)c2cc1Cl
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2ccc(Cl)c3Cl)cn1
Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)c(Cl)c3)c2cc1C(F)(F)F
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(ccc23)C(F)(F)F)cn1
Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)c(C)c3)c2cc1Cl
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cnccc4Cl)nc3)c2cc1Cl
CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cn1
Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)cn3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nn3)c2cc1Cl
Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)nc3)c2cc1Cl
COc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)cc3C)c2cc1C(F)(F)F
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(Cl)c(C)c3Cl)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cccc3Cl)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc23)cn1
CSc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
FC(F)(F)c1ccc2N(CCc2c1)C(=O)Nc1ccc(OCc2ccccn2)nc1
Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccccn4)nc3)c2cc1Cl
Clc1ccc2N(CCc2c1)C(=O)Nc1ccc(OCc2ccccn2)nc1
Cc1cccc(COc2ccc(NC(=O)N3CCc4cc(C)c(cc34)C(F)(F)F)cn2)n1
Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccncc4)nc3)c2cc1Cl
Cc1cc2CCN(C(=O)Nc3ccc(CCc4ccccn4)nc3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3ccc(OCc4cncn4C)nc3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3ccc(OCc4cnccn4)nc3)c2cc1C(F)(F)F
Cc1cc(NC(=O)N2CCc3cc(C)c(cc23)C(F)(F)F)cnc1OCc1ccccn1
Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccccn4)cc3)c2cc1C(F)(F)F
FC(F)(F)c1ccc2CCN(C(=O)Nc3ccc(OCc4ccccn4)nc3)c2c1
Brc1ccc2N(CCc2c1)C(=O)Nc1ccc(OCc2ccccn2)nc1
Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccccn4)nn3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3ccc(OCc4nccn4C)nc3)c2cc1Cl
Cc1cc2CCN(C(=O)Nc3ccc(COc4ccccn4)nc3)c2cc1C(F)(F)F
Clc1cccc2N(CCc12)C(=O)Nc1ccc(OCc2ccccn2)nc1
Cc1cc2CCN(C(=O)Nc3ccc(OCc4cccnc4)nc3)c2cc1Cl
Cc1cccnc1COc1ccc(NC(=O)N2CCc3cc(C)c(cc23)C(F)(F)F)cn1
Cc1cc2CCN(C(=O)Nc3ccc(OCc4nccs4)nc3)c2cc1Cl
Cc1cc2CCN(C(=O)Nc3ccc(OCCc4ccccn4)nc3)c2cc1C(F)(F)F
Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1
CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12
Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C
Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4
COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl
CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12
CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
CCc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1
O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(cc1)-c1ccccc1
Clc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
CS(=O)(=O)Oc1ccc2CN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(F)cc3)Cc2c1 |wU:16.19,wD:13.12,(-.65,-16.53,;-.63,-15,;-2.01,-14.31,;-.33,-13.47,;.91,-14.92,;2.24,-14.15,;2.24,-12.6,;3.57,-11.83,;4.9,-12.58,;6.37,-12.09,;7.29,-13.35,;8.62,-12.58,;9.96,-13.35,;11.29,-12.56,;12.62,-13.33,;13.94,-12.56,;13.94,-11.02,;12.62,-10.25,;11.29,-11.02,;15.28,-10.27,;16.61,-11.04,;16.61,-12.58,;17.94,-10.27,;19.27,-11.04,;20.6,-10.27,;21.93,-11.04,;23.27,-10.27,;23.27,-8.73,;24.36,-7.64,;21.93,-7.96,;20.6,-8.73,;6.39,-14.61,;4.91,-14.14,;3.58,-14.92,)|
[H][C@]12CCCN1CCN(C2)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
CCn1nc(cc1-c1cccnn1)-c1cccc2ccncc12
CCn1nc(cc1-c1cccnn1)-c1ccnc2ccccc12
CCn1nc(cc1-c1cccnn1)-c1nccc2ccccc12
CCn1nc(cc1-c1ncccn1)-c1cccc2ccccc12
Cc1nc(sc1C(=O)N1CCCC(O)CC1)-c1cccc2ccccc12
Clc1cccc(-c2ncc(s2)C(=O)N2CCOCC2)c1Cl
Cc1sc(nc1C(=O)N1CCOCC1)-c1cccc(Cl)c1Cl
Cn1nc(cc1-c1cccnn1)-c1cccc2ccccc12
OCC1CCN(CC1)C(=O)c1nnn(n1)-c1cccc2ccccc12
CCn1nc(cc1-c1cncn1C)-c1cccc2ccccc12
Cc1nc(sc1C(=O)N1CCOCC1)-c1cccc2ccccc12
Clc1ccccc1-c1nc(cs1)C(=O)N1CCOCC1
CCn1nc(cc1-c1ncnn1C)-c1cccc2ccccc12
Clc1cccc(-c2nc(cs2)C(=O)N2CC3CC2CO3)c1Cl
Fc1c(Cl)cccc1-c1nc(cs1)C(=O)N1CCOCC1
Clc1cccc(-c2nc(cs2)C(=O)N2CCOCC2)c1Cl
Cn1cc(nc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
CN(CCO)C(=O)c1sc(nc1C)-c1cccc2ccccc12
O=C(N1CCOCC1)c1csc(n1)-c1cccc2ccccc12
Cc1nn(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Clc1ccc(-c2nc(cs2)C(=O)N2CCOCC2)c(Cl)c1
CCn1nc(cc1-c1ccc(N)nn1)-c1cccc2cccnc12
CN(Cc1ccn(C)n1)C(=O)c1sc(nc1C)-c1cccc2ccccc12
Cc1nc(oc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
CC(C)N(CCO)C(=O)c1sc(nc1C)-c1cccc2ccccc12
CCn1nc(cc1-c1cccnn1)-c1cccc2cccnc12
Cn1ccnc1-c1cc(nn1C)-c1cccc2ccccc12
Cc1cccc(-c2nc(cs2)C(=O)N2CCOCC2)c1C
Cc1nc(sc1C(=O)N1CCc2[nH]cnc2C1)-c1cccc2ccccc12
Cc1cc(oc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Clc1cccc(-c2nc(cs2)C(=O)N2CCCCC2)c1Cl
COCCNC(=O)c1sc(nc1C)-c1cccc2ccccc12
CN(Cc1cccnc1)C(=O)c1sc(nc1C)-c1cccc2ccccc12
Clc1cccc(-c2csc(n2)C(=O)N2CCOCC2)c1Cl
CCn1nc(cc1-c1ccccn1)-c1cccc2ccccc12
Cc1[nH]c(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Cn1nc(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Cc1nc(-c2cccc3ccccc23)n(C)c1C(=O)N1CCC(CO)CC1
Cc1sc(nc1C(=O)N1CCOCC1)-c1cccc2ccccc12
Cc1nc(sc1C(=O)N1CCNCC1)-c1cccc2ccccc12
Fc1cccc(-c2nc(cs2)C(=O)N2CCOCC2)c1Cl
Cc1cc(sc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Cc1nc(sc1C(=O)N1CCCCC1)-c1cccc2ccccc12
Cn1cc(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
CCn1nc(cc1-c1nnnn1C)-c1cccc2ccccc12
CCn1nc(cc1-c1cccnn1)-c1cccc2ncccc12
CCn1nc(cc1-c1cccnn1)-c1cccc2cnccc12
Cc1nc(sc1C(N)=O)-c1cccc2ccccc12
Cc1sc(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Cc1nc(sc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
CN(CCc1cccnc1)C(=O)c1sc(nc1C)-c1cccc2ccccc12
O=C(N1CCOCC1)c1csc(n1)-c1cccnc1
O=C(N1CCOCC1)c1nc(cs1)-c1cccc2ccccc12
CN(C)C(=O)c1sc(nc1C)-c1cccc2ccccc12
Cc1oc(nc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Cc1nc(sc1C(=O)N1CCC(O)CC1)-c1cccc2ccccc12
O=C(N1CCOCC1)c1cnc(s1)-c1cccc2ccccc12
Cc1nc(sc1C(=O)N1CCOCC1)-c1cccc(Cl)c1Cl
CCn1nc(cc1-c1ccnn1C)-c1cccc2ccccc12
CCn1nc(cc1-c1nccn1C)-c1cccc2ccccc12
CCn1nc(cc1-c1cccnn1)-c1cncc2ccccc12
OC1CCN(CC1)C(=O)c1csc(n1)-c1cccc(Cl)c1Cl
CCn1nc(cc1-c1cccnn1)-c1cccc2ccccc12
COCCN(C)C(=O)c1sc(nc1C)-c1cccc2ccccc12
CN1CCN(CC1)C(=O)c1sc(nc1C)-c1cccc2ccccc12
Clc1cccc(-c2nc(cs2)C(=O)N2CCCOCC2)c1Cl
Cc1nn(nc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Cc1cn(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
CCn1nc(cc1-c1ccc(N)nn1)-c1cccc2ccncc12
CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC
COc1ccc(F)cc1C1CC1CNCc1ccccc1C(N)=O
COc1ccc(F)cc1C1CC1CNCc1cccnc1OC
COc1ccc(F)cc1C1CC1CNCc1ccccc1OCCF
COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC
COc1ccc(F)cc1C1CC1CNC1CC1
COc1ccccc1CCNCC1CC1c1cc(F)ccc1OC
COc1ccc(F)cc1C1CC1CNCc1cccc2ccsc12
COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C
COc1ccccc1CNC[C@@H]1C[C@H]1c1cc(F)ccc1OC
COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCCF
COc1ccc(F)cc1C1CC1CNCc1ccccc1C#N
COc1ccc(F)cc1C1CC1CNCc1cccc2cccnc12