950 SMILES Strings for Transitional endoplasmic reticulum ATPase

Compound Name
SMILES String
CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
COc1ccccc1C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(C)cc1
Cc1cc(Nc2ccccc2)nc(n1)-c1ccccc1O
Cc1ccc(SCC(=O)C(C#N)c2nc3ccccc3s2)cc1
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(2.16,17.15,;3.49,16.38,;4.83,17.15,;3.49,14.84,;2.16,14.07,;.83,14.84,;2.16,12.53,;.83,11.76,;3.49,11.76,;3.49,10.22,;2.16,9.45,;4.83,12.53,;6.2,11.71,;6.19,10.17,;7.6,12.5,;7.6,14.1,;8.93,14.88,;6.2,14.9,;4.83,14.07,;8.93,11.72,;8.93,10.12,;7.6,9.35,;10.33,9.33,;11.7,10.15,;13.04,9.38,;13.04,7.84,;14.37,7.07,;11.7,7.07,;14.37,10.15,;15.7,9.38,;14.37,11.69,;15.7,12.46,;13.04,12.46,;13.04,14,;14.37,14.77,;11.7,11.69,;10.33,12.52,;10.34,14.06,)|
c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl
NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Cc1n[o+]n([O-])c1COc1ccccc1\C=C1/NC(=S)NC1=O
CCn1nc(c(C(C#N)c2nc3cc(ccc3s2)C(F)(F)F)c(Cl)c1=O)[N+]([O-])=O
O=C1C(=O)c2ccccc2-c2ccccc12
Oc1ccc(C(=O)NNc2c3ccccc3nc3ccccc23)c(O)c1
COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1C
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2Cl)cc1 |w:4.3|
COc1ccc(CN=Nc2nnc(-c3ccccc3)c(=O)[nH]2)cc1 |w:8.8|
SC1=NC(=O)C(S1)=Cc1c([nH]c2ccccc12)-c1ccccc1 |w:7.8,t:1|
Clc1ccc(cc1)S(=O)(=O)Nc1cc2nc3ccccc3nc2n1Cc1ccccc1
COc1ccc2ccccc2c1C=NNC(=O)c1sc(N)c(C#N)c1C |w:13.15|
Cc1ccc2[nH]cc(C(=O)CCl)c2c1
CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O
Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1
O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r|
ClCC(=O)Nc1nc(-c2ccco2)c(s1)-c1ccco1
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
Oc1ccc(Cl)cc1C=C(Cl)c1nc2cc(Cl)ccc2c(=O)[nH]1 |w:9.10|
Fc1ccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)cc1
Cc1ccc(C)c(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1
OC(=O)c1ccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccccc2F)cc1 |c:19|
N=C1N2N=C(SC2=NC(=O)\C1=C\c1coc2ccccc2c1=O)c1ccncc1 |c:3,7|
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)c1c[nH]c2ccccc12
Cc1[nH]c2ccccc2c1C(=O)CCl
Cn1cc(C(=O)CCl)c2ccccc12
On1[o+]nc-2c1CCc1nc([n-]c-21)-c1ccccc1
CSc1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccccc34)c(N)n12 |c:13|
CC(C)CS(=O)(=O)c1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccccc34)c(N)n12 |c:18|
ClCC(=O)c1c[nH]c(CN=Nc2ccccc2Cl)c1 |w:10.10|
[#8]-[#6](=O)-c1cccc(-[#7]\[#7]=[#6]-2\c3ccccc3-c3ccccc-23)c1
CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)CC(C)Oc3cc12 |(9.64,-2.77,;8.31,-2,;8.3,-.45,;6.96,.33,;6.95,1.87,;5.62,-.45,;5.62,-2.01,;6.96,-2.78,;4.29,-2.78,;2.96,-2.01,;1.63,-2.79,;.29,-2.02,;-1.04,-2.79,;.29,-.47,;1.62,.3,;1.62,1.84,;2.96,-.47,;4.28,.31,;4.28,1.85,;1.63,-4.32,;2.96,-5.08,;4.29,-4.31,;2.97,-6.62,;1.64,-7.4,;1.64,-8.94,;.3,-6.63,;-1.02,-7.4,;-1.02,-8.94,;-2.35,-6.64,;-3.67,-7.42,;-3.66,-8.96,;-5.01,-6.65,;-5.01,-5.12,;-6.35,-4.35,;-3.68,-4.35,;-2.36,-5.1,;-1.03,-4.33,;.3,-5.1,)|
OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc2c1O
Oc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)cc1O |w:7.7|
CC(C)c1nc2sc3c([nH]cnc3=S)c2c2CCCc12
C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1
Fc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1
CC(=O)Oc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(=S)NC1=O |c:17|
Nc1nc(CCl)nc(Nc2ccc3ccccc3c2)n1
ClCc1cc(=O)n2c(n1)[nH]c1ccccc21
Nc1nc(SCC(O)=O)cc2c(C#N)c(nc(N)c12)N1CCCCC1
NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])c(O)c2O)c(c1)[N+]([O-])=O |w:8.7|
Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C(O)=O)[nH]1 |w:7.7|
Cc1csc2c1nc(NC(=O)c1ccccc1C)sc2=O
OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Oc1ccc(-c2csc(Nc3ccc(cc3)C#N)n2)c(O)c1
N#Cc1ccc(Nc2nc(cs2)-c2ccc(cc2)C#N)cc1
CCOc1ccc(cc1)-c1csc(Nc2ccc(cc2)C#N)n1
Cc1cc(c(C)n1Cc1ccccc1)-c1csc(Nc2ccc(cc2)C#N)n1
Cc1cc(c(C)n1CCc1ccccc1)-c1csc(Nc2ccc(cc2)C#N)n1
Brc1cccc(c1)-c1csc(Nc2ccc(cc2)C#N)n1
CCOC(=O)C(=C\c1c2ccccc2cc2ccccc12)\C#N
CCOC(=O)C(=C\c1ccc(cc1)C#N)\C#N
CCOC(=O)C(=C\c1ccc(cc1)[N+]([O-])=O)\C#N
CCOC(=O)C(=C\c1ccc(F)cc1[N+]([O-])=O)\C#N
CCOC(=O)C(=C\c1c[nH]c2ccc(cc12)C#N)\C#N
CCOC(=O)C(=C\c1sc2ccccc2c1-c1ccccc1)\C#N
N#C\[#6](=[#6]\c1c2ccccc2cc2ccccc12)C#N
Cc1cc(-c2csc(Nc3ccc(cc3)C#N)n2)c(C)n1C
NS(=O)(=O)c1ccc(Nc2ccccc2\C=C\C#N)cc1
Oc1ccc(-c2csc(Nc3ccc(C#N)c(c3)C(F)(F)F)n2)c(O)c1
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(C)nc(C)c1C
CCC1=NC(C)=C(C)C1c1nc(NCc2ccccc2)c2cccc(OC)c2n1 |t:2,5|
COc1cccc2c(NCc3ccccc3)nc(Cc3ccccc3)nc12
COc1cccc2c(NCc3ccccc3)nc(CCc3ccccc3)nc12
COc1cccc2c(NCc3ccccc3)nc(CCC(C)C)nc12
COc1cccc2c(NCc3ccccc3)nc(nc12)N1CCOc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2cccc(F)c12
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(C)nc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1cnc2ccccc12
COc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1
COc1cccc2c(NCc3ccccc3)nc(Nc3ccccn3)nc12
COc1cccc2c(NCc3nccs3)nc(nc12)-n1c(N)nc2ccccc12
NCCOc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12
COCCOc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12
NC(=O)COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12
COCc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12
Cc1cc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(CN)c2n1
CN(C)Cc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12
Nc1nc2ccccc2n1C1Sc2sccc2\C(S1)=N\Cc1ccccc1
COc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ncsc2n1
Nc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2nc[nH]c2n1
Nc1nc2ccccc2n1-c1nc2CCCc2c(NCc2ccccc2)n1
COCc1nc(nc(NCc2ccccc2)c1C)-n1c(N)nc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(Nc3ncc[nH]3)nc12
CNc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(nc2ccccc12)N(C)C
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(NC(C)=O)nc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)-c1c(N)[nH]c2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)N1C(C)Cc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)N(C(N)=O)c1ccccc1
COc1cccc2c(NCc3ccccc3)nc(nc12)N1C(=O)Cc2ccccc12
COc1cccc2c(NCc3ccco3)nc(nc12)-n1c(N)nc2ccccc12
COc1cccc2c(NCc3ccoc3)nc(nc12)-n1c(N)nc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c2ccccc2[nH]c1=O
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c2ccccc2n(C)c1=O
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(CN)nc2sccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(C)cc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)C(C)c1ccccc1
COc1cccc2c(NCc3ccccc3)nc(nc12)C1NCc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)C1CNc2ccccc12
COC1=Nc2ccccc2C1c1nc(NCc2ccc(F)cc2)c2cccc(OC)c2n1 |t:2|
COc1nc2ccccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1
Cc1cc2ccccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1
Cc1cc2ccccc2n1-c1nc2CNCCc2c(NCc2ccccc2)n1
COc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2CCNC(=O)c2n1
Cc1cc2ccccc2n1-c1nc2CNCc2c(NCc2ccccc2)n1
COc1cccc2c(NCc3ccccc3)nc(nc12)C1N(C)Cc2ccccc12
CCc1cc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1
COc1cc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(CN)cc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1ccc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1cc(C)c2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)-c1c(C)oc2ccccc12
Cc1cc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(C(N)=O)c2n1
Cc1cc2ccccc2n1-c1nc2COCc2c(NCc2ccccc2)n1
Cc1cc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(C#N)c2n1
Cc1cc2ccccc2n1-c1nc2CN(CCc2c(NCc2ccccc2)n1)C(=O)OC(C)(C)C
CC(=O)N1Cc2nc(nc(NCc3ccccc3)c2C1)-n1c(C)cc2ccccc12
CC(=O)N1CCc2nc(nc(NCc3ccccc3)c2C1)-n1c(C)cc2ccccc12
CC(=O)N1CCc2c(C1)nc(nc2NCc1ccccc1)C1C(C)=Cc2ccccc12 |c:26|
COc1cc2ccccc2n1-c1nc(NCc2ccccc2)c2CCN(C(=O)OC(C)(C)C)C(=O)c2n1
Cc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
CCc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
NCc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
CC(N)c1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
COCCOc1cccc2c(NCc3ccccc3)nc(nc12)C1C(ON)=Nc2ccccc12 |c:29|
COCCOc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(OC)nc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(CNC(C)=O)cc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(CNC(=O)C=C)cc2ccccc12
CCc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1
COc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
OCc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
COCc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
CN(C)Cc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
CC(=O)NCc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
NC(=O)NCc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
COC(=O)NCc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
CS(=O)(=O)NCc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
CC(=O)C1CCc2c(C1)nc(nc2NCc1ccccc1)-n1c(CN)cc2ccccc12
CCN1CCc2c(C1)nc(nc2NCc1ccccc1)-n1c(CN)cc2ccccc12
COC(=O)N1CCc2c(C1)nc(nc2NCc1ccccc1)-n1c(CN)cc2ccccc12
NCc1cc2ccccc2n1-c1cc(NCc2ccccc2)c2CCN(Cc2n1)C(N)=O
CS(=O)(=O)N1CCc2c(C1)nc(nc2NCc1ccccc1)-n1c(CN)cc2ccccc12
CNCCN1CCc2c(C1)nc(nc2NCc1ccccc1)-n1c(CN)cc2ccccc12
CNCC(=O)N1CCc2c(C1)nc(nc2NCc1ccccc1)-n1c(CN)cc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(\C=C\C#N)cc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(\C=C(\C#N)C(N)=O)cc2ccccc12
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(\C=C\S(C)(=O)=O)cc2ccccc12
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccccc1
Cc1ccc(cc1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Cc1cccc(c1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Cc1ccccc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccccc1-c1ccccc1
CC(=O)c1ccccc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
CC(=O)c1cccc(c1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
CC(=O)c1ccc(cc1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccc(Cl)cc1Cl
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccccc1C(F)(F)F
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccc(cc1)C(F)(F)F
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccccc1Cl
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1cccc(Cl)c1
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccc(Cl)cc1
COc1ccccc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
COc1ccc(cc1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
CC(C)Oc1ccccc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
CC(C)Oc1ccc(cc1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccccc1Oc1ccccc1
COc1cccc(c1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Cc1cccc(c1C)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Cc1ccc(C)c(c1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Cc1cc(C)cc(c1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1cccc(c1)C(F)(F)F
COC(=O)CCC(=O)c1ccc(cc1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1cccc(c1)-c1ccccc1
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1cccc(c1)C#N
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccc(cc1)C#N
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccc(cc1)C(=O)c1ccccc1
CCCOc1ccccc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Cc1cc(F)ccc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
CCCOc1ccc(F)cc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
CCCOc1cccc(F)c1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
CCCOc1cc(F)ccc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Cc1ccc(F)cc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Cc1ccc(F)c(c1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
CCCCOc1ccccc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
CCCCCCOc1ccccc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
CCCCc1ccc(cc1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccccc1O
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccccc1OCCCCCCO
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccccc1OCCC[Na]
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1ccccc1OCCCO
CC(C)COc1ccccc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Nc1c(cc(c2ccccc12)S(=O)(=O)O[Na])\N=N\c1ccc(nc1)-c1cc(Cl)ccc1O
Cc1ccc(-c2ccccc2)c(c1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Cc1ccc(-c2ccc(Cl)cc2)c(c1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Cc1ccc(-c2cc(C)cc(C)c2)c(c1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Cc1ccc(-c2cccc(Cl)c2)c(c1)-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
Cc1cccc(C)c1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
CC(C)Oc1c(C=O)cc(C)cc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
CCCCOc1c(C=O)cc(C)cc1-c1ccc(cn1)\N=N\c1cc(c2ccccc2c1N)S(=O)(=O)O[Na]
CC(C)NC(=O)OC(C)C#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#C
CC(C#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C)N1CCOCC1
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCN |c:15|
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CC#N
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCOC(=O)N1CCOCC1
Cc1ccc(cc1)S(=O)(=O)NCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:30|
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCN1CCOCC1
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCCc1ccccc1
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCNC(=O)C(C)(C)C
CC(C)NCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
COC(=O)NCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCNS(C)(=O)=O
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNS(C)(=O)=O |c:15|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNS(=O)(=O)c1ccc(F)cc1 |c:15|
CC(C)NCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:22|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNC1CCCCC1 |c:15|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNS(=O)(=O)C1CC1 |c:15|
CN1CCC(CC1)NCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:27|
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCOC(=O)NCC(F)(F)F
CC(C)N1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2C)CC1
CC(C)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
CNC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
CN(CC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C)S(C)(=O)=O |c:20|
CC(O)C#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
COC(C)C#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CC(C)(C)O |c:15|
CC(C)N1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cccnc3)cc2C)CC1 |c:31|
CC(C)N1CCN(CC1)C1(CNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cccnc3)cc2C)CCC1 |c:34|
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCOC(=O)NCCc1ncnn1C
CC(C)N1CCCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2C)CC1
CN(C)S(=O)(=O)NCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:25|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CC1(O)COC1 |c:15|
Cc1cc(CNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2C)no1
COCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCOC(=O)N1CCC1
CC(C)N1CCC(CC1)NCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNCc1ccc(F)cc1 |c:15|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNC(=O)OC(C)(C)C |c:15|
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCN1CCS(=O)(=O)CC1
CC(C)N1CCN(CCNC(=O)OC(C)C#Cc2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2C)CC1
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCNC(=O)OC(C)(C)C
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CC(C)(C)NC(=O)OC(C)(C)C |c:15|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCN1C(=O)c2ccccc2C1=O |c:15|
Cc1cc(OCc2nnc(SC3CC3)n2-c2cccnc2)ccc1C#C
Cc1cc(OCc2nnc(CC3CCCC3)n2-c2cccnc2)ccc1C#CCNC(=O)OC(C)(C)C
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCN1C(=O)c2ccccc2C1=O
Cc1cc(OCc2nnc(CC3CCCC3)n2-c2cccnc2)ccc1C#C
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CC(O)c1ccccc1
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CC1(CCCCC1)NC(=O)OC(C)(C)C |c:15|
Cc1cc(OCc2nnc(SC3CC3)n2-c2cccnc2)ccc1C#CCNC(=O)OC(C)(C)C
Cc1cc(OCc2nnc(CC3CC3)n2-c2cccnc2)ccc1C#C
N#Cc1ccc(cc1)C#CCOCc1nnc(SC2CCCC2)n1-c1cccnc1
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCOC1CCCCO1 |c:15|
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCO
CN1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cccnc3)cc2C)CC1 |c:29|
CN1CCN(CC1)C(=O)CCNC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:34|
CC(C)N1CCN(CCNC(=O)OC(C#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cccnc3)cc2C)C(F)(F)F)CC1 |c:31|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNS(=O)(=O)N1CCOCC1 |c:15|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNS(=O)(=O)N1CCCC1 |c:15|
CN1CCN(CC1)S(=O)(=O)NCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:30|
CC(C)N1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(CC4CCCC4)n3-c3cccnc3)cc2C)CC1
CC(C)N1CCN(CC1)C1(CNCC#Cc2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2C)CCC1
CN1CCN(CCNCC#Cc2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2C)CC1
CN1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(CC4CCCC4)n3-c3cccnc3)cc2C)CC1
CN1CCN(CC1)C(=O)CCNC(=O)OCC#Cc1ccc(OCc2nnc(CC3CCCC3)n2-c2cccnc2)cc1C
CC(C)N1CCN(CCNC(=O)OCC#Cc2ccc(OCc3cnc(SC4CCCC=C4)n3-c3cccnc3)cc2C)CC1 |c:31|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CC1(O)CN(C1)C(=O)OC(C)(C)C |c:15|
CC(C)N1CCN(CCNC(=O)NCC#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cccnc3)cc2C)CC1 |c:31|
Cc1cc(OCc2nnc(SC3CCCC=C3F)n2-c2cccnc2)ccc1C#CCO |c:15|
CN1CCN(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:30|
CN1CCN(CC1)C(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:29|
CN1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cccnc3)cc2F)CC1 |c:29|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNS(=O)(=O)C1CCN(CC1)C(=O)OC(C)(C)C |c:15|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCO |c:15|
CN1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4F)n3-c3cccnc3)cc2C)CC1 |c:29|
CC(C)N1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4F)n3-c3cccnc3)cc2C)CC1 |c:31|
CN1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cccnc3)cc2C(F)(F)F)CC1 |c:29|
CC(=O)NCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:22|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cncc(Cl)c2)ccc1C#CCO |c:15|
CN1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cncc(Cl)c3)cc2C)CC1 |c:29|
CC(=C)C(=O)NCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:24|
C\C=C\C(=O)NCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:24|
CN(C)CCNCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:24|
OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1 |c:19|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNC(=O)C=C |c:15|
CCC(=O)NCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:23|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNC(=O)CCl |c:15|
CN1CCC(CC1)NCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1F |c:19|
Cc1cc(OCc2nnc(n2-c2cccnc2)S(=O)(=O)C2CCCC=C2)ccc1C#CCO |c:26|
Cc1cc(OCc2nnc(OC3CCCC3)n2-c2cccnc2)ccc1C#CCO
CC(C)N1CCN(CC1)C(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:31|
CC(=O)N1CCN(CC1)C(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:31|
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNC(=O)C1CC1 |c:15|
Cc1cc(no1)C(=O)NCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:28|
OCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1F
CNC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1F
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCOC(=O)NCCNC(=O)CC1[C@H]2CC3C[C@@H](C[C@H]1C3)C2 |r,wU:40.54,wD:44.53,46.51,THB:43:44:42.41.47:39,43:42:48.44.45:39,(.81,3.2,;1.2,4.69,;2.69,5.08,;3.09,6.57,;4.58,6.97,;5.67,5.88,;7.15,6.28,;7.71,7.72,;9.24,7.64,;9.64,6.15,;11.08,5.6,;12.28,6.57,;13.77,6.17,;14.6,7.47,;13.63,8.66,;12.19,8.1,;8.35,5.31,;8.27,3.77,;6.9,3.07,;6.82,1.54,;8.11,.7,;9.48,1.4,;9.56,2.93,;2,7.66,;.51,7.26,;.12,5.77,;-1.37,5.38,;-2.86,4.98,;-4.35,4.58,;-4.75,3.09,;-6.23,2.69,;-7.32,3.78,;-6.63,1.2,;-8.12,.81,;-8.52,-.68,;-10.01,-1.08,;-10.4,-2.57,;-9.32,-3.66,;-11.89,-2.97,;-12.29,-4.45,;-12.29,-6.26,;-11.52,-7.33,;-12.29,-8.53,;-13.83,-8.66,;-14.6,-7.33,;-14.6,-5.79,;-13.06,-5.79,;-12.29,-7.12,;-13.83,-6.31,)|
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCOC(=O)NCCOCCNC(=O)CC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |r,wU:43.47,wD:47.56,45.49,49.54,THB:42:49:46:44.51.43,(3.59,3.19,;3.98,4.68,;5.47,5.08,;5.87,6.56,;7.36,6.96,;8.45,5.87,;9.93,6.27,;10.49,7.71,;12.02,7.63,;12.42,6.14,;13.86,5.59,;15.06,6.56,;16.55,6.17,;17.38,7.46,;16.41,8.65,;14.97,8.1,;11.13,5.3,;11.05,3.76,;9.68,3.07,;9.6,1.53,;10.89,.69,;12.26,1.39,;12.34,2.93,;4.78,7.65,;3.29,7.25,;2.89,5.77,;1.41,5.37,;-.08,4.97,;-1.57,4.57,;-1.97,3.08,;-3.45,2.68,;-4.54,3.77,;-3.85,1.2,;-5.34,.8,;-5.74,-.69,;-7.23,-1.09,;-7.62,-2.58,;-9.11,-2.97,;-9.51,-4.46,;-11,-4.86,;-12.09,-3.77,;-11.4,-6.35,;-12.94,-6.71,;-14.46,-7.5,;-15.13,-8.65,;-16.67,-8.65,;-17.38,-7.29,;-16.55,-6.35,;-15.19,-5.64,;-14.48,-6.64,;-15.34,-7.98,;-15.17,-6.5,)|
OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)c(F)c1F |c:19|
OCC#Cc1cc(F)c(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1F |c:20|
OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C#N |c:19|
COc1cc(C#CCO)c(F)cc1OCc1nnc(SC2CCCC=C2)n1-c1cccnc1 |c:25|
Cc1cc(NCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCO
CN1CCC(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)c(F)c1F |c:30|
CN1CCC(CC1)NC(=O)OCC#Cc1cc(F)c(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1F |c:31|
CN1CCC(CC1)NC(=O)OCC#Cc1c(F)cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1F |c:31|
CN1CCC(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C#N |c:30|
COc1cc(C#CCOC(=O)NC2CCN(C)CC2)c(F)cc1OCc1nnc(SC2CCCC=C2)n1-c1cccnc1 |c:36|
OCC#Cc1cc(F)c(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1F
CN1CCC(CC1)NC(=O)OCC#Cc1cc(F)c(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1F
CN1CCC(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
CN1CCC(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1F
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#C |c:15|
Cc1cc(OCc2nnc(SCC3CC3)n2-c2cccnc2)ccc1C#CCO
CCC(=O)NCC#Cc1ccc(OCc2nnc(SCC=C)n2-c2cccnc2)cc1C
CCC(=O)NCC#Cc1ccc(OCc2nnc(SCC(=O)CCl)n2-c2cccnc2)cc1C
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCOC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNC(=O)NCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:15,56|
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
COC(=O)c1ccc2[nH]c(cc2c1)-c1cccc(c1)N1CCC(CC1)NC1CCN(CC1)C(C)C
COCCN1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccc(F)cc3[nH]2)CC1
CN1CCN(CCCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CNC(=O)CCNC1CCN(CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
C(CN1CCN(CC2CC2)CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CCC(C)N1CCN(CCCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
C[C@H]1CN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)C[C@@H](C)N1C |r|
COc1ccc2[nH]c(cc2c1)-c1cccc(c1)N1CCC(CC1)NCCN1CCN(CC1)C(C)C
CN1CCC(CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CCN(CC)C(=O)CCNC1CCN(CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
CN1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
Fc1ccc2[nH]c(cc2c1)-c1cccc(c1)N1CCC(CC1)NCc1cccc(c1)N=[N+]=[N-]
CCN1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
O=S1(=O)CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CN1CCN(CC1)C(C)(C)CNC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CN(C)CCNC1CCN(CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
C(CN1CCN(Cc2ccccc2)CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
NC(=O)CCNC1CCN(CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
C(CNC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1)CN1CCOCC1
CC1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
Cn1ncnc1CCNC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
O=C1CN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CCN1
COC(=O)CCNC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
Cn1ncnc1CCNC1CCN(CC1)c1cccc(c1)-c1cc2cc(ccc2[nH]1)C#N
C(NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1)c1cccnc1
C(NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1)c1ccccc1
C(Cc1ccccn1)NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CC(C)(C)OC(=O)N1CCCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CN(C)CCNC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CC(C)N1CCC2(CC1)CCN(CC2)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
Cc1ccc(CNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)o1
FC(F)(F)CN1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
C(CN1CCCC1)NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3c(F)cccc3[nH]2)CC1
C(CN1CCOCC1)NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
Cn1ncnc1CCNC1CCN(CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
C(NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1)c1ccccn1
COC(=O)CCNC1CCN(CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
CCCCNC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CN1[C@H]2CCC[C@@H]1C[C@@H](C2)NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1 |r,TLB:0:1:3.4.5:8.9.7|
C(NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1)c1ccncc1
Fc1ccc2[nH]c(cc2c1)-c1cccc(c1)N1CCC(CC1)NCCC(=O)N1CCCCC1
C(Cc1ccccc1)NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(NC(=O)OCc3ccccc3)c2)CC1
CN1CCN(CC1)C1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CCOC(=O)Nc1cccc(c1)N1CCC(CC1)NCCN1CCN(CC1)C(C)C
CN1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)CCC1
NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CC(C)N1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)C#N)CCC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)C(=O)C1
CC(C)N1CCN(CCNC2CCN(CC2)c2ccc(C)c(c2)-c2cc3cc(F)ccc3[nH]2)CC1
Cn1ncnc1CCNC1CCN(CC1)c1cccc(c1)-c1cc2cc(F)c(F)cc2[nH]1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)C#N)CC1
CC(C)(C)OC(=O)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CN1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)C#N)CCC1
FC1(F)CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)CC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cccc(F)c3[nH]2)CC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)[N+]([O-])=O)CC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(OC(F)(F)F)ccc3[nH]2)CC1
CC(C)N1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)COC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cnccc3[nH]2)CC1
CC(C)N1CCC(CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2cc(ccc2[nH]1)C#N
CC(C)N1CCN(CC1)C1(CNC(=O)C2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)CCC1
CC(C)N1CCC(CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
CC(C)N1CCC(CC1)NC(=O)C1CCN(CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
CN1CCC(CC1)NC1CCN(CC1)c1ccc(C)c(c1)-c1cc2cc(F)ccc2[nH]1
CC(C)N1CCC(CC1)N[C@H]1CC[C@H](CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1 |r,wU:13.17,10.10,(68.85,-1.53,;68.06,-2.85,;68.81,-4.19,;66.52,-2.85,;65.76,-1.5,;64.21,-1.5,;63.43,-2.81,;64.18,-4.15,;65.73,-4.15,;61.9,-2.81,;61.11,-4.12,;61.88,-5.46,;61.1,-6.77,;59.55,-6.77,;58.79,-5.43,;59.57,-4.12,;58.78,-8.1,;59.55,-9.44,;58.77,-10.77,;57.23,-10.77,;56.46,-9.43,;57.23,-8.1,;54.93,-9.43,;54.02,-10.68,;52.54,-10.21,;51.21,-10.97,;49.87,-10.2,;48.54,-10.97,;49.87,-8.65,;51.21,-7.88,;52.54,-8.65,;54.02,-8.18,)|
CC(C)N1CCN(CCNC2CCN(CC2)c2ccc(C)c(c2)-c2cc3cc(ccc3[nH]2)C#N)CC1
CC(C)N1CCN(CC1)C1CCN(CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)C(N)=O)CC1
Cc1ccc(cc1-c1cc2ccccc2[nH]1)N1CCC(CC1)NCCc1ncnn1C
CC(C)N1CCC(CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2cc(Cl)ccc2[nH]1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccc(cc3[nH]2)[N+]([O-])=O)CC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(O)ccc3[nH]2)CC1
CC(C)N1CCN(CC1)C1(CNC2CCN(CC2)c2ccc(C)c(c2)-c2cc3cc(ccc3[nH]2)C#N)CCC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2ccc3ccccc3c2)CC1
CN1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(Cl)ccc3[nH]2)CCC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccc(N)cc3[nH]2)CC1
CC(C)N1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)C#N)COC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)cnc3[nH]2)CC1
CC(C)N1CCC(CC1)NC1CCN(CC1)c1ccc(C)c(c1)-c1cc2cc(ccc2[nH]1)C#N
[N-]=[N+]=Nc1ccc(NCCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)cc1
CCC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CC(C)N1CCN(CC=C2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1 |(-5.6,-8.11,;-6.37,-6.77,;-7.91,-6.77,;-5.6,-5.44,;-6.37,-4.1,;-5.6,-2.77,;-4.06,-2.77,;-3.29,-1.44,;-4.06,-.1,;-3.29,1.23,;-4.06,2.56,;-3.29,3.9,;-1.75,3.9,;-.98,2.56,;-1.75,1.23,;-.98,5.23,;-1.75,6.57,;-.98,7.9,;.56,7.9,;1.33,6.57,;.56,5.23,;2.87,6.57,;3.78,7.81,;5.24,7.34,;6.57,8.11,;7.91,7.34,;7.91,5.8,;6.57,5.03,;5.24,5.8,;3.78,5.32,;-3.29,-4.1,;-4.06,-5.44,)|
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(Cl)ccc3[nH]2)CC1
CC(C)N1CCN(CCC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CC(C)N1CCN(CC1)C(=O)CCNC1CCN(CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)C(F)(F)F)CC1
CC(C)N1CCC(CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccc(cc3[nH]2)C#N)CC1
CN1CCC(CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2cc(ccc2[nH]1)C#N
CC(C)[C@H]1CC[C@@H](CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2cc(ccc2[nH]1)C#N |r,wU:3.2,wD:6.9,(-5.01,-7.82,;-4.24,-6.49,;-2.7,-6.49,;-5.01,-5.16,;-6.55,-5.16,;-7.32,-3.82,;-6.55,-2.49,;-5.01,-2.49,;-4.24,-3.82,;-7.32,-1.15,;-6.55,.18,;-7.32,1.51,;-6.55,2.85,;-5.01,2.85,;-4.24,1.51,;-5.01,.18,;-4.24,4.18,;-5.01,5.51,;-4.24,6.85,;-2.7,6.85,;-1.93,5.51,;-2.7,4.18,;-.39,5.51,;.52,6.76,;1.98,6.28,;3.32,7.05,;4.65,6.28,;4.65,4.74,;3.32,3.97,;1.98,4.74,;.52,4.27,;5.98,7.05,;7.32,7.82,)|
CC(C)N1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)CCC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2nc3ccccc3n2-c2ccc(cc2)C(c2ccccc2)c2ccccc2)CC1
CC(C)(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CC(C)N1CCN(CCNC(=O)CC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CN1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CCC1
CC(C)N1CCC(CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2cc(ccc2[nH]1)S(=O)(=O)NCc1ccccc1
CC(C)N1CCN(CC1)C(=O)CCNC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CC(C)N1CCN(CCNC(=O)C=C2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1 |(-10.6,-5.44,;-9.83,-4.1,;-10.6,-2.77,;-8.29,-4.1,;-7.52,-2.77,;-5.98,-2.77,;-5.21,-4.1,;-3.67,-4.1,;-2.9,-5.44,;-1.36,-5.44,;-.59,-4.1,;.95,-4.1,;-1.36,-2.77,;-.59,-1.44,;-1.36,-.1,;-.59,1.23,;.95,1.23,;1.72,-.1,;.95,-1.44,;1.72,2.56,;.95,3.9,;1.72,5.23,;3.26,5.23,;4.03,3.9,;3.26,2.56,;5.57,3.9,;6.47,5.14,;7.94,4.67,;9.27,5.44,;10.6,4.67,;10.6,3.13,;9.27,2.36,;7.94,3.13,;6.47,2.65,;-5.98,-5.44,;-7.52,-5.44,)|
CC(C)N1CCN(CCNC2CCN(CC2)c2ccc(C)c(c2)-c2cc3ccccc3[nH]2)CC1
CC(C)N1CCN(CC(=O)NC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CC(C)N1CCCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cncc(c2)-c2cc3ccccc3[nH]2)CC1
CN1CCN(CC1)C(=O)CCNC1CCN(CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
CC(C)N1CCC(CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2cc(ccc2[nH]1)S(N)(=O)=O
COC(=O)c1ccc2[nH]c(cc2c1)-c1cccc(c1)N1CCC(CC1)NCCN1CCN(CC1)C(C)C
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2[nH]c3ccc(F)cc3c2-c2c([nH]c3ccc(F)cc23)-c2cccc(c2)N2CCC(CC2)NCCN2CCN(CC2)C(C)C)CC1 |(-2.98,-17.32,;-2.21,-15.98,;-.67,-15.98,;-2.98,-14.65,;-4.52,-14.65,;-5.29,-13.31,;-4.52,-11.98,;-5.29,-10.65,;-6.83,-10.65,;-7.6,-9.31,;-6.83,-7.98,;-7.6,-6.65,;-6.83,-5.31,;-5.29,-5.31,;-4.52,-6.65,;-5.29,-7.98,;-4.52,-3.98,;-5.29,-2.65,;-4.52,-1.31,;-2.98,-1.31,;-2.21,-2.65,;-2.98,-3.98,;-.67,-2.65,;.24,-3.89,;1.7,-3.42,;3.04,-4.19,;4.37,-3.42,;4.37,-1.87,;5.7,-1.11,;3.04,-1.11,;1.7,-1.87,;.24,-1.4,;-.24,.07,;.67,1.31,;-.24,2.56,;-1.7,2.08,;-3.04,2.85,;-4.37,2.08,;-4.37,.54,;-5.7,-.23,;-3.04,-.23,;-1.7,.54,;2.21,1.31,;2.98,-.02,;4.52,-.02,;5.29,1.31,;4.52,2.65,;2.98,2.65,;5.29,3.98,;6.83,3.98,;7.6,5.31,;6.83,6.65,;5.29,6.65,;4.52,5.31,;7.6,7.98,;6.83,9.31,;7.6,10.65,;6.83,11.98,;7.6,13.31,;6.83,14.65,;5.29,14.65,;4.52,13.31,;5.29,11.98,;4.52,15.98,;5.29,17.32,;2.98,15.98,;-2.98,-11.98,;-2.21,-13.31,)|
CC(C)N1CCN(CC1)C(=O)CCNC1CCN(CC1)c1cccc(c1)-c1cc2cc(ccc2[nH]1)C#N
Fc1ccc2[nH]c(cc2c1)-c1cccc(c1)N1CCC(CC1)C(=O)Nc1ccccn1
[N-]=[N+]=Nc1cccc(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)C#N)c1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3CNCCc3[nH]2)CC1
CC(C)N1CCC(CC1)N[C@H]1CC[C@@H](CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1 |r,wU:13.17,wD:10.10,(52.21,-2.26,;51.43,-3.58,;52.19,-4.92,;49.89,-3.58,;49.13,-2.23,;47.59,-2.23,;46.81,-3.53,;47.56,-4.87,;49.1,-4.87,;45.28,-3.53,;44.49,-4.83,;42.95,-4.83,;42.18,-6.15,;42.94,-7.49,;44.47,-7.49,;45.26,-6.18,;42.16,-8.82,;42.93,-10.16,;42.16,-11.49,;40.62,-11.49,;39.85,-10.14,;40.62,-8.82,;38.31,-10.14,;37.41,-11.4,;35.94,-10.92,;34.6,-11.68,;33.27,-10.91,;31.94,-11.69,;33.27,-9.37,;34.6,-8.59,;35.94,-9.37,;37.41,-8.89,)|
Fc1ccc2[nH]c(cc2c1)-c1cccc(c1)N1CCC(CC1)NCCc1c[nH]c2ccccc12
CN1CCC(CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2[nH]c3ccccc3c2C)CC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)N=[N+]=[N-])CC1
CC(C)N1CCN(CCOC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(C)ccc3[nH]2)CC1
CC(C)N1CCN(CCNC2CCN(CC2)C(=O)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CN1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CCCCC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(-c3cc4ccccc4[nH]3)c2C)CC1
N#Cc1ccc2[nH]c(cc2c1)-c1cccc(c1)N1CCC(CC1)NCc1cccnc1
CC(C)N1CCC(CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2cc(ccc2[nH]1)S(=O)(=O)NC(C)(C)C
CN1CCN(CC1)C(=O)CCNC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CN1CCC(CC1)NC1CCN(CC1)c1cccc(-c2cc3ccccc3[nH]2)c1C
C(CN1CCNCC1)NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CC(C)N1CCC(CC1)NC1CCN(CC1)c1nnc(o1)-c1cc2cc(F)ccc2[nH]1
C(CN1CCCNCC1)NC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1
CN1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)S(C)(=O)=O)CCC1
CN1CCN(CC1)C(=O)CCNC1CCN(CC1)c1cccc(c1)-c1cc2cc(ccc2[nH]1)C#N
CON(C)C(=O)c1ccc2[nH]c(cc2c1)-c1cccc(c1)N1CCC(CC1)NCCN1CCN(CC1)C(C)C
CC(C)N1CCN(CC1)C1(CNC2CCN(CC2)c2ccc(C)c(c2)-c2cc3cc(F)ccc3[nH]2)CCC1
FC(F)(F)C(N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1)c1ccccc1 |w:4.39|
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)c(F)cc3[nH]2)CC1
CC(C)N1CC2CN(CC2C1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1
Fc1ccc2[nH]c(cc2c1)-c1cccc(c1)N1CCC(CC1)NCc1cccnc1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3o2)CC1
CN1CCC(CC1)NC1CCN(CC1)c1ccc(C)c(c1)-c1cc2ccccc2[nH]1
CC(C)N1CCC(CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2cc(ccc2[nH]1)S(C)(=O)=O
CC(C)N1CCN(CCNC2CCN(CC2)c2ccc3CCc4c([nH]c5ccccc45)-c3c2)CC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)S(F)(F)(F)(F)F)CC1
CC(C)N1CCN(CCCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CN1CCC(CC1)NC1CCN(CC1)c1cccc(c1)-c1[nH]c2ccccc2c1C
CC(C)N1CCN(CCNC2CCN(CC2)c2ccc(F)c(c2)-c2cc3ccccc3[nH]2)CC1
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)C(=O)Nc2cncnc2C)CC1
N#Cc1ccc2[nH]c(cc2c1)-c1cccc(c1)N1CCC(CC1)NCc1ccccc1
CC(C)N1CCN(CCNC2CCN(CC2)c2ccc(C)c(c2)-c2[nH]c3ccccc3c2C)CC1
CNC(=O)c1ccc2[nH]c(cc2c1)-c1cccc(c1)N1CCC(CC1)NCCN1CCN(CC1)C(C)C
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3s2)CC1
CN1CCN(CC2(CC2)NC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
CN1CCC(CC1)NC1CCN(CC1)c1cncc(c1)-c1cc2ccccc2[nH]1
CN(C)CCNC1CCN(CC1)c1cccc(c1)-c1cc2cc(ccc2[nH]1)C#N
CC(C)N1CCC(CC1)NC1CCN(CC1)c1ccc(C)c(c1)-c1cc2ccccc2[nH]1
C[C@H]1C(=C)CC[C@@]1(C)c1cc(Br)c(C)cc1O |r|
[#6]-[#6@H]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6]-2=[#6](-[#6])-[#6](=O)-[#6](=O)-c3c(-[#6])cc(-[#8])c-1c-23 |r,c:8|
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2CCCCc12
COc1cccc2c(NC(C)c3ccccc3)nc(nc12)-n1c(N)nc2ccccc12
Nc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ccsc2n1
FC(F)(F)c1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
Cc1nn2ccccc2c1-c1nc2CCCCc2c(NCc2ccccc2)n1
Cc1cc2cc(C)ccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1
Cc1cc2c(F)cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1
Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C(N)=O
CC(C)NC(=O)c1cccc2n(c(C)cc12)-c1nc2CCNCc2c(NCc2ccccc2)n1
Cc1nc2ccccn2c1-c1nc2CCCCc2c(NCc2ccccc2)n1
COc1ccc2n(c(C)cc2c1)-c1nc2CCNCc2c(NCc2ccccc2)n1
Cc1cc2ccc(C)cc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1
Cc1cc2c(C)cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1
Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C#N
Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C(F)(F)F
Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C(O)=O
Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)-c1nnn[nH]1
CNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCNCc2c(NCc2ccccc2)n1
Cc1cc2c(cccc2n1-c1nc2CNCCc2c(NCc2ccccc2)n1)C(N)=O
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12
COc1nc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(N)=O
Cc1cc2c(cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1)C(N)=O
COc1cccc2c(NCc3ccccc3)nc(Cn3c(C)nc4ccccc34)nc12
Nc1nc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
COc1cccc2c(NC(=O)c3ccccc3)nc(nc12)-n1c(N)nc2ccccc12
COc1cccc2c(NCCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12
COc1cccc2c(nc(nc12)-n1c(N)nc2ccccc12)N(C)Cc1ccccc1
ClCC(=O)Nc1cccc(NC2=NS(=O)(=O)c3ccccc23)c1 |t:11|
Cc1cc2c(Cl)cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1
COc1ccc2cc(C)n(-c3nc4CCNCc4c(NCc4ccccc4)n3)c2c1
COc1cccc2c(CCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12
COCCOc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(C)nc2ccccc12
Nc1nc2ccccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1
Cc1[nH]c2ccccc2c1-c1nc2CCCCc2c(NCc2ccccc2)n1
COc1cccc2n(c(C)cc12)-c1nc2CCNCc2c(NCc2ccccc2)n1
Cc1nc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
COc1cccc2c(Cc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12
CN(C)C(=O)c1cccc2n(c(C)cc12)-c1nc2CCNCc2c(NCc2ccccc2)n1
COc1cccc2c(NCc3ccccc3)nc(Nc3nc4ccccc4[nH]3)nc12
Cc1cc2ccc(cc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C#N
COc1cccc2c(OCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12
Cc1nc2ccccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1
Cc1cc2cc(ccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C#N
Cc1cc2c(cccc2n1-c1nc2COCCc2c(NCc2ccccc2)n1)C(N)=O
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc(C)c1C
CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCOCc2c(NCc2ccccc2)n1
Cc1cc2c(cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1)C(N)=S
Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1
Cc1cc2c(NS(=O)(=O)c3ccccc3)cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1
Cc1cc2c(NC(=O)C=C)cccc2n1-c1nc2CCOCc2c(NCc2ccncc2)n1
Cc1cc2c(NC(=O)CN3CCCC3)cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1
Cc1cc2c(NC(=O)\C=C\c3ccccc3)cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1
Cc1cc2c(NC(=O)C=C)cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1
Cc1cc2c(cccc2n1-c1nccc(NCc2ccccc2)n1)C(N)=O
Cc1cc2c(cccc2n1-c1nc2CCCCCc2c(NCc2ccccc2)n1)C(N)=O
Cc1cc2c(NS(=O)(=O)C3CC3)cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1
CN(C)C\C=C\C(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCOCc2c(NCc2ccccc2)n1
Cc1cc2c(NC(=O)CCl)cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1
CC(=O)Nc1cccc2n(ccc12)-c1nc2CCOCc2c(NCc2ccccc2)n1
Cc1cc2c(NS(=O)(=O)C(F)(F)F)cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1
Cc1cc2c(cccc2n1-c1nc2CCCCCCc2c(NCc2ccccc2)n1)C(N)=O
[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(Sc2ncc(COc3cc(F)c(cc3F)C#CCOC(=O)NC3CCN(C)CC3)n2-c2cccnc2)C1([2H])[2H]
C[C@H]1CCC\C=C\C(=O)c2c(O)c(Cl)c(O)c(Cl)c2CC(=O)O1 |r,t:5|
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)C(=O)N(C)C)CC1
COc1ccc(cc1)C(=O)c1oc2ccccc2c1NC(C)=O
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
[N-]=[N+]=Nc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
CC1(C)C(N(O)C(=O)Nc2ccc(Cl)cc2)N(C(=O)N1CC(=O)N\N=C\C=C\c1ccc(o1)[N+]([O-])=O)c1ccc(Cl)cc1
Fc1ccc(cc1)C(CCCNCC1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1
OCCCc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccc(c2)N=[N+]=[N-])cc1
[H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@]5([H])CC(C)=C(COC(C)=O)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |r,c:40,t:17|
[H][C@@]12CCCN1C(=O)c1ccccc1N\C2=C/C(=O)/C=C/c1c[nH]c2ccc(I)cc12 |r|
Cc1cc2c(NC(=O)C#C)cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
Cc1cc2c(NC(=O)C#C)cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1
CCCC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1
CCC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1
CC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1
CC#CCNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1
Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(=O)NCCC#N
Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(=O)NCC#N
Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(=O)NCC#C
CC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCOCc2c(NCc2ccccc2)n1
CCC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1
CCCNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1
CC#CCNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCOCc2c(NCc2ccccc2)n1
Cc1cc2c(NC(=O)C#CC=C)cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
Cc1cc2c(cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1)C(=O)NCC#C
Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(=O)NCCC#C
Cc1cc2cc(NC(=O)c3nccnc3N)ccc2[nH]1
CNc1ncccc1C(=O)Nc1ccc2[nH]c(C)cc2c1
Cc1cc2cc(NC(=O)c3cccnc3O)ccc2[nH]1
Cc1cc2cc(NC(=O)c3cccnc3)ccc2[nH]1
Cc1cc2cc(NC(=O)c3cc(cnc3N)C#N)ccc2[nH]1
Cc1cc2cc(NC(=O)c3cc(cnc3N)-c3cn[nH]c3)ccc2[nH]1
CCc1cnc(N)c(c1)C(=O)Nc1ccc2[nH]c(C)cc2c1
CC(C)c1c(NC(=O)c2cccnc2N)ccc2[nH]c(C)cc12
Cc1cc2c(C)c(NC(=O)c3cccnc3N)ccc2[nH]1
Nc1ncccc1C(=O)Nc1ccc2[nH]ccc2c1
CCCc1cc2cc(NC(=O)c3cccnc3N)ccc2[nH]1
CCc1cc2cc(NC(=O)c3cccnc3N)ccc2[nH]1
Cc1cc2cc(NCc3cccnc3N)ccc2[nH]1
CN(C(=O)c1cccnc1N)c1ccc2[nH]c(C)cc2c1
Nc1nccnc1C(=O)Nc1ccc2[nH]ccc2c1
Cc1[nH]c2ccc(NC(=O)c3nccnc3N)cc2c1C
Cc1cc2cc(NC(=O)c3cnccn3)ccc2[nH]1
Cc1cc2cc(NC(=O)c3cccnc3N)ccc2[nH]1
Cc1cc2cc(NC(=O)c3ncccc3N)ccc2[nH]1
Cc1cc2cc(NC(=O)c3nccnc3N)ccc2n1C
CCc1cc2cc(NC(=O)c3nccnc3N)ccc2[nH]1
Cc1ccc(cc1)C(=O)C#Cc1ccccc1
[O-][N+](=O)\C=C\c1ccc2OCOc2c1
Cc1ccc(cc1)-c1c(C(=O)CCl)n(CCCO)c2ncnc(N)c12
Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCO)c2ncnc(N)c12
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(cc3)-c3ccccc3)c2c1
OC(=O)\C=C\c1ccc2OCOc2c1
COc1ccc(\C=C\[N+]([O-])=O)cc1OC
COc1cc(\C=C\[N+]([O-])=O)ccc1O
COc1cc(\C=C\[N+]([O-])=O)ccc1OC(C)=O
CCC(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1OC
COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1ccccc1
[O-][N+](=O)\C=C\c1cccnc1
[O-][N+](=O)\C=C\c1cccc(c1)[N+]([O-])=O
[O-][N+](=O)\C=C\c1c(F)c(F)c(F)c(F)c1F
[O-][N+](=O)\C=C\c1ccc(F)c(Br)c1
CC(C)(C)n1nc(-c2ccccc2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)C=C)ncnc12
CC(C)(C)n1nc(-c2ccccc2)c2c(ncnc12)N(C(=O)C=C)C(=O)C=C
CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)CCl)ncnc12
CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(NC(=O)C=C)ncnc12
CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(ncnc12)N(C(=O)C=C)C(=O)C=C
CN(C(=O)CCl)c1ncnc2n(nc(-c3ccc4ccccc4c3)c12)C(C)(C)C
CNc1ncnc2n(nc(-c3ccc4ccccc4c3)c12)C(C)(C)C
CC(C)(C)n1nc(-c2ccc(cc2)-c2ccccc2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc(cc2)-c2ccccc2)c2c(NC(=O)C=C)ncnc12
CC(C)(C)n1nc(-c2ccc(cc2)-c2ccccc2)c2c(ncnc12)N(C(=O)C=C)C(=O)C=C
Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(NC(=O)C=C)cccc2n1-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
C\C=C\C(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
CC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(NC(=O)C#C)cccc2n1-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(NC(=O)CC#N)cccc2n1-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(NC(=O)CCl)cccc2n1-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(NC(=O)CCCl)cccc2n1-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(NC(=O)c3cscn3)cccc2n1-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(NC(=O)c3ccco3)cccc2n1-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(NC(=O)c3ccno3)cccc2n1-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc2CCCCc2c(NCc2cccc(c2)B(O)O)n1
CC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(NC(=O)c3ccco3)cccc2n1-c1nc2CCCCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc2CCOCc2c(NCc2cccc(c2)B(O)O)n1
CC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCOCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(NC(=O)c3ccco3)cccc2n1-c1nc2CCOCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc(NCc2cccc(c2)B(O)O)c2ccccc2n1
CC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc(NCc2cccc(c2)B(O)O)c2ccccc2n1
Cc1cc2c(NC(=O)c3ccco3)cccc2n1-c1nc(NCc2cccc(c2)B(O)O)c2ccccc2n1
COc1cnc(nc1NCc1cccc(c1)B(O)O)-n1c(C)cc2c(NC(=O)C#CC)cccc12
COc1cnc(nc1NCc1cccc(c1)B(O)O)-n1c(C)cc2c(NC(=O)c3ccco3)cccc12
Nc1nc(O)c2ncn(COC(CO)CO)c2n1
CC(C)NCCC#Cc1ccc(OCc2cnc(SC3CCCC3)n2-c2cccnc2)cc1C
Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc2CCCc2c(NCc2cccc(O)c2)n1
Cc1cc2c(NC(=O)C=C)cccc2n1-c1nc2CCCc2c(NCc2cccc(O)c2)n1
C\C=C\C(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCc2c(NCc2cccc(O)c2)n1
Cc1cc2c(NC(=O)\C=C\c3ccccc3)cccc2n1-c1nc2CCCc2c(NCc2cccc(O)c2)n1
COc1ccc(\C=C\C(=O)Nc2cccc3n(c(C)cc23)-c2nc3CCCc3c(NCc3cccc(O)c3)n2)cc1
Cc1cc2c(NC(=O)c3ccco3)cccc2n1-c1nc2CCCc2c(NCc2cccc(O)c2)n1
Cc1cc2c(NC(=O)c3cccs3)cccc2n1-c1nc2CCCc2c(NCc2cccc(O)c2)n1
Cc1cc2c(NC(=O)c3cscn3)cccc2n1-c1nc2CCCc2c(NCc2cccc(O)c2)n1
Cc1cc2c(cccc2n1-c1nc2CCCc2c(NCc2cccc(O)c2)n1)C(=N)NO
Cc1cc2c(cccc2n1-c1nc2CCCc2c(NCc2cccc(O)c2)n1)C(N)=O
Cc1cc2c(cccc2n1-c1nc2CCCc2c(NCc2cccc(O)c2)n1)C(N)=N
CONC(=O)c1cccc2n(c(C)cc12)-c1nc2CCCc2c(NCc2cccc(O)c2)n1
CCONC(=O)c1cccc2n(c(C)cc12)-c1nc2CCCc2c(NCc2cccc(O)c2)n1
CON(C)C(=O)c1cccc2n(c(C)cc12)-c1nc2CCCc2c(NCc2cccc(O)c2)n1
CONC(=O)c1cccc2n(c(C)cc12)-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
CCONC(=O)c1cccc2n(c(C)cc12)-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
CON(C)C(=O)c1cccc2n(c(C)cc12)-c1nc2CCCc2c(NCc2cccc(c2)B(O)O)n1
Cc1cc2c(cccc2n1-c1nc2CCCc2c(NCc2cccc(N)c2)n1)C(N)=O
Cc1cc2c(cccc2n1-c1nc(NCc2ccccc2)c2CCCNc2n1)C(N)=O
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
COc1cccc(c1)-c1ccc(F)c(NC(=O)C#Cc2ccccc2)c1
Fc1ccc(cc1NC(=O)C#Cc1ccccc1)-c1ncccn1
Fc1ccc(cc1NC(=O)C#Cc1ccccc1)-c1ccsc1
Fc1ccc(cc1NC(=O)C#Cc1ccccc1)-c1nccs1
Fc1ccc(cc1NC(=O)C#Cc1ccccc1)-c1ncc[nH]1
COc1ccc(cc1NC(=O)C#Cc1ccccc1)-c1ncc[nH]1
CCOc1ccc(cc1NC(=O)C#Cc1ccccc1)-c1ncc[nH]1
CC(C)Oc1ccc(cc1NC(=O)C#Cc1ccccc1)-c1ncc[nH]1
CCCCOc1ccc(cc1NC(=O)C#Cc1ccccc1)-c1ncc[nH]1
COCCOc1ccc(cc1NC(=O)C#Cc1ccccc1)-c1ncc[nH]1
O=C(Nc1cc(ccc1OCCN1CCOCC1)-c1ncc[nH]1)C#Cc1ccccc1
O=C(Nc1cc(ccc1OCCCN1CCOCC1)-c1ncc[nH]1)C#Cc1ccccc1
O=C(Nc1cc(ccc1OCC1CC1)-c1ncc[nH]1)C#Cc1ccccc1
O=C(Nc1cc(ccc1OCC1CCC1)-c1ncc[nH]1)C#Cc1ccccc1
O=C(Nc1cc(ccc1OCC1CCCC1)-c1ncc[nH]1)C#Cc1ccccc1
O=C(Nc1cc(ccc1OCC1CCCCC1)-c1ncc[nH]1)C#Cc1ccccc1
FC(F)(F)c1ccc(COc2ccc(cc2NC(=O)C#Cc2ccccc2)-c2ncc[nH]2)cc1
Cc1ccc(COc2ccc(cc2NC(=O)C#Cc2ccccc2)-c2ncc[nH]2)cc1
O=C(Nc1cccc(c1)-c1ncc[nH]1)C#Cc1ccccc1
CN(C)c1ccc(cc1NC(=O)C#Cc1ccccc1)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)\C=C\c1ccc(Cl)cc1)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1ccccc1F)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1cccc(F)c1)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1ccc(F)cc1)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1ccccc1Cl)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1cccc(Cl)c1)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1ccc(Cl)cc1)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1cccc(Br)c1)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1cccc(OC)c1)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1cccc(C)c1)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1cccc(O)c1)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1cccc(c1)C(F)(F)F)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1cc(OC)c(OC)c(OC)c1)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1ccc(Cl)cc1F)-c1ncc[nH]1
CCOCCOc1ccc(cc1NC(=O)C#Cc1ccccc1)-c1ncc[nH]1
Cc1cc(OCc2nnc(SC3CCOCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O
Cc1cc(OCc2nnc(SC3CCNCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O
Cc1cc(OCc2nnc(SC3CCCC=C3F)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O |c:15|
Cc1cc(OCc2nnc(SC3CCC(F)(F)CC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O
COCCSc1nnc(COc2ccc(c(C)c2)-c2ccc(cc2)S(C)(=O)=O)n1-c1cccnc1
Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O |c:15|
Cc1cc(OCc2nnc(SC3CCCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O
CN1CCC(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:30|
CN1CCC(CC1)NC(=O)OCC#Cc1cc(F)c(OCc2nnc(S[C@@H]3CCCC=C3)n2-c2cccnc2)cc1F |r,c:31|
CN1CCC(CC1)NC(=O)OCC#Cc1cc(F)c(OCc2nnc(S[C@H]3CCCC=C3)n2-c2cccnc2)cc1F |r,c:31|
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
OC(=O)c1cccc(c1)-c1cnc(Nc2ccc(O)cc2)o1
Oc1ccc(Nc2ncc(o2)-c2ccc(Cl)cc2)cc1
Oc1ccc(Nc2ncc(o2)-c2ccc(cc2)N2CCOCC2)cc1
CCN(CC)c1ccc(cc1)-c1cnc(Nc2ccc(O)cc2)o1
Oc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Oc1ccc(Nc2nc(cs2)-c2cccs2)cc1
Oc1ccc(Nc2nc(cs2)-c2cccc(O)c2)cc1
FC(F)(F)c1cccc(Nc2nc(cs2)-c2ccc(Cl)cc2)c1
Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Nc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
CC(=O)Nc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
NC(=O)c1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Oc1ccc(Nc2nc(cs2)-c2ccccn2)cc1
Oc1ccc(Nc2nc(cs2)-c2cccnc2)cc1
Oc1ccc(Nc2nc(cs2)-c2ccncc2)cc1
Oc1ccc(Nc2nc(cs2)-c2ccc3ccccc3c2)cc1
Oc1ccc(Nc2nc(cs2)-c2ccccc2F)cc1
COc1ccccc1-c1csc(Nc2ccc(O)cc2)n1
Oc1ccc(Nc2nc(cs2)-c2ccccc2C(F)(F)F)cc1
Oc1ccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)cc1
Oc1ccc(Nc2nc(cs2)-c2ccc(cc2)C#N)cc1
COc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1
Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)cc1
Oc1ccc(Nc2ncc(o2)-c2ccccc2)cc1
COc1ccccc1-c1cnc(Nc2ccc(O)cc2)o1
Oc1ccc(Nc2ncc(o2)-c2cccc(Cl)c2)cc1
COc1cccc(c1)-c1cnc(Nc2ccc(O)cc2)o1
CC(C)Sc1nnc(COc2ccccc2)n1-c1cccc(Br)c1
CC(C)Sc1nnc(COc2ccccc2)n1-c1cccc(F)c1
CC(C)Sc1nnc(COc2ccccc2)n1-c1cccc(Cl)c1
COc1ccccc1-n1c(COc2ccccc2)nnc1SC(C)C |(45.65,-30.01,;44.32,-29.25,;42.99,-30.02,;42.99,-31.57,;41.65,-32.34,;40.32,-31.57,;40.32,-30.03,;41.65,-29.26,;41.65,-27.72,;40.4,-26.82,;38.94,-27.3,;37.79,-26.27,;36.33,-26.75,;35.18,-25.73,;33.71,-26.21,;33.4,-27.72,;34.55,-28.74,;36.01,-28.26,;40.87,-25.35,;42.41,-25.35,;42.89,-26.81,;44.36,-27.28,;45.5,-26.25,;46.96,-26.72,;45.17,-24.74,)|
CC(C)Sc1nnc(COc2ccccc2)n1-c1ccccc1F |(30.14,-26.72,;28.67,-26.25,;28.34,-24.74,;27.53,-27.28,;26.06,-26.81,;25.58,-25.35,;24.04,-25.35,;23.57,-26.82,;22.11,-27.3,;20.96,-26.27,;19.5,-26.75,;18.35,-25.73,;16.89,-26.21,;16.57,-27.72,;17.73,-28.75,;19.18,-28.26,;24.82,-27.72,;24.82,-29.26,;23.49,-30.03,;23.49,-31.57,;24.83,-32.34,;26.16,-31.57,;26.16,-30.02,;27.49,-29.25,)|
C(Oc1ccccc1)c1nnc(NC2CCCCC2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(NC2CCCC2)n1-c1ccccc1
CC(C)Nc1nnc(COc2ccccc2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(CC2CCCCC2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(CC2CCCC2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(OC2CCCCC2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(OC2CCCC2)n1-c1ccccc1
CC(C)Oc1nnc(COc2ccccc2)n1-c1ccccc1
C(Oc1ccccc1)c1nncn1-c1ccccc1
S=c1[nH]nc(COc2ccccc2)n1-c1ccccc1
CC(C)S(=O)(=O)c1nnc(COc2ccccc2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(Sc2ccccc2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(SCC2CCCCC2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(SCC2CCC2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(SC2CCCCC2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(SC2CCCC2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(SC2CCC2)n1-c1ccccc1
CC(C)CSc1nnc(COc2ccccc2)n1-c1ccccc1
CCSc1nnc(COc2ccccc2)n1-c1ccccc1
CSc1nnc(COc2ccccc2)n1-c1ccccc1
CC(C)Sc1nnc(COc2ccccc2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(SC2CCCC2)n1C1CCCCC1
Clc1cc(Cl)cc(c1)-n1c(COc2ccccc2)nnc1SC1CCCC1
[N-]=[N+]=Nc1cccc(c1)-n1c(COc2ccccc2)nnc1SC1CCCC1
Nc1cccc(c1)-n1c(COc2ccccc2)nnc1SC1CCCC1
FC(F)(F)c1cccc(c1)-n1c(COc2ccccc2)nnc1SC1CCCC1
[O-][N+](=O)c1cccc(c1)-n1c(COc2ccccc2)nnc1SC1CCCC1
Cc1cccc(c1)-n1c(COc2ccccc2)nnc1SC1CCCC1
Brc1cccc(c1)-n1c(COc2ccccc2)nnc1SC1CCCC1
Clc1cccc(c1)-n1c(COc2ccccc2)nnc1SC1CCCC1
CC(C)Sc1nnc(COc2ccccc2)n1-c1cccnc1
CC(C)Sc1nnc(COc2ccccc2)n1Cc1ccccc1
CC(C)Sc1nnc(COc2ccccc2)n1C
COc1ccc(cc1)-n1c(COc2ccccc2)nnc1SC(C)C
CC(C)Sc1nnc(COc2ccccc2)n1-c1ccc(Cl)cc1
CC(C)Sc1nnc(COc2ccccc2)n1-c1ccc(F)cc1
CC(C)Sc1nnc(COc2ccccc2)n1-c1cccc(c1)C(F)(F)F
COc1cccc(c1)-n1c(COc2ccccc2)nnc1SC(C)C
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Cl
Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1Cl
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc(C)c1Cl
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Br
Clc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1Cl
N#Cc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Fc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Cl
COc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
N#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Fc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Brc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Clc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
COc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
N#Cc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
Cc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
Fc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
Brc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
Clc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
Clc1ccccc1OCc1nnc(SC2CCCC2)n1-c1cccnc1
C1CCC(C1)Sc1nnc(-c2ccco2)n1-c1ccccc1
C1CCC(C1)Sc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1
CC(C)Sc1nnc(COc2cccnc2)n1-c1ccccc1
CC(C)Sc1nnc(COC2CCCCC2)n1-c1ccccc1
CC(C)Sc1nnc(CO)n1-c1ccccc1
Brc1ccc(\C=C\c2nnc(SC3CCCC3)n2-c2ccccc2)cc1
Brc1ccc(NC(=O)c2nnc(SC3CCCC3)n2-c2ccccc2)cc1
Brc1ccc(OCc2nnc(SC3CCCC3)n2-c2ccccc2)cc1
CC(C)Sc1nnc(CNc2ccccc2)n1-c1ccccc1
CC(C)Sc1nnc(CN(C)c2ccccc2)n1-c1ccccc1
CC(C)Sc1nnc(Cc2ccccc2)n1-c1ccccc1
CC(C)Sc1nnc(COCc2ccccc2)n1-c1ccccc1
CC(C)Sc1nnc(CCc2ccccc2)n1-c1ccccc1
CC(C)Sc1nnc(CSc2ccccc2)n1-c1ccccc1
C(Oc1ccccc1)c1nnc(SC2CCCC2)n1Cc1ccco1
C(Oc1ccccc1)c1nnc(SC2CCCC2)n1-c1cccnc1
C(Oc1ccccc1)c1nnc(SC2CCCC2)n1-c1ccccn1
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(C=O)cc1
CC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
CNC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(N)(=O)=O
CONC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)C#N
CS(=O)(=O)c1cccc(c1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
CC(=O)c1cccc(c1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
N#Cc1cccc(c1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
CC(=O)c1ccccc1-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
N#Cc1ccccc1-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
C(Oc1ccc(cc1)-c1ccccc1)c1nnc(SC2CCCC2)n1-c1cccnc1
FC(F)(F)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
CSc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Fc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Brc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Nc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
COc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
[O-][N+](=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
O=Cc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
CC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
CS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
CNC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
NC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
OCC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
CONC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1F
Clc1cc(Cl)cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
Fc1cc(Br)cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccoc2)CC1 |r,wU:3.2,wD:6.6,(18.11,-31.73,;16.77,-32.5,;16.77,-34.04,;15.44,-31.73,;14.11,-32.5,;12.77,-31.73,;12.77,-30.19,;11.44,-29.42,;11.44,-27.88,;10.11,-27.11,;8.77,-27.88,;7.44,-27.11,;6.11,-27.88,;6.11,-29.42,;4.77,-30.19,;4.77,-31.73,;3.44,-32.5,;2.1,-31.73,;2.1,-30.19,;3.44,-29.42,;7.44,-25.57,;8.77,-24.8,;10.11,-25.57,;8.77,-23.26,;7.53,-22.35,;8,-20.89,;9.54,-20.89,;10.02,-22.35,;14.11,-29.42,;15.44,-30.19,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccsc2)CC1 |r,wU:3.2,wD:6.6,(73.02,-12.92,;71.68,-13.69,;71.68,-15.23,;70.35,-12.92,;69.02,-13.69,;67.68,-12.92,;67.68,-11.38,;66.35,-10.61,;66.35,-9.07,;65.02,-8.3,;63.68,-9.07,;62.35,-8.3,;61.02,-9.07,;61.02,-10.61,;59.68,-11.38,;59.68,-12.92,;58.35,-13.69,;57.01,-12.92,;57.01,-11.38,;58.35,-10.61,;62.35,-6.76,;63.68,-5.99,;65.02,-6.76,;63.68,-4.45,;62.44,-3.54,;62.91,-2.08,;64.45,-2.08,;64.93,-3.54,;69.02,-10.61,;70.35,-11.38,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cccnc2)CC1 |r,wU:3.2,wD:6.6,(61.64,-15.67,;60.3,-16.44,;60.3,-17.98,;58.96,-15.67,;57.64,-16.44,;56.3,-15.67,;56.3,-14.13,;54.97,-13.36,;54.97,-11.82,;53.63,-11.05,;52.3,-11.82,;50.96,-11.05,;49.63,-11.82,;49.63,-13.36,;48.3,-14.13,;48.3,-15.67,;46.97,-16.44,;45.63,-15.67,;45.63,-14.13,;46.97,-13.36,;50.96,-9.51,;52.3,-8.74,;53.63,-9.51,;52.3,-7.2,;50.96,-6.43,;50.96,-4.89,;52.3,-4.12,;53.63,-4.89,;53.63,-6.43,;57.64,-13.36,;58.96,-14.13,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc3[nH]ccc3c2)CC1 |r,wU:3.2,wD:6.6,(30.16,-3.1,;31.49,-3.87,;32.82,-3.1,;31.49,-5.41,;32.82,-6.18,;32.82,-7.72,;31.49,-8.49,;31.49,-10.03,;30.16,-10.8,;30.16,-12.34,;31.49,-13.11,;31.49,-14.65,;32.82,-15.42,;34.16,-14.65,;35.49,-15.42,;36.82,-14.65,;38.16,-15.42,;38.16,-16.96,;36.82,-17.73,;35.49,-16.96,;30.16,-15.42,;28.82,-14.65,;28.82,-13.11,;27.49,-15.42,;27.49,-16.96,;26.16,-17.73,;24.82,-16.96,;23.35,-17.43,;22.45,-16.19,;23.35,-14.94,;24.82,-15.42,;26.16,-14.65,;30.16,-7.72,;30.16,-6.18,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2csc3ccccc23)CC1 |r,wU:3.2,wD:6.6,(13.19,-.21,;13.89,-1.59,;15.43,-1.66,;13.12,-2.92,;13.89,-4.25,;13.12,-5.59,;11.58,-5.59,;10.81,-6.92,;11.58,-8.26,;10.81,-9.59,;9.27,-9.59,;8.5,-10.92,;6.96,-10.92,;6.19,-9.59,;4.64,-9.51,;3.81,-10.8,;2.27,-10.72,;1.57,-9.34,;2.41,-8.05,;3.95,-8.14,;9.27,-12.26,;10.81,-12.26,;11.58,-10.92,;11.58,-13.59,;10.95,-14.99,;12.09,-16.03,;13.43,-15.26,;14.89,-15.74,;16.04,-14.7,;15.71,-13.2,;14.25,-12.72,;13.11,-13.75,;10.81,-4.25,;11.58,-2.92,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc3[nH]ncc3c2)CC1 |r,wU:3.2,wD:6.6,(43.88,-48.16,;45.2,-48.93,;46.54,-48.16,;45.2,-50.47,;46.54,-51.24,;46.54,-52.78,;45.2,-53.55,;45.2,-55.09,;43.88,-55.86,;43.88,-57.4,;45.2,-58.17,;45.2,-59.71,;46.54,-60.48,;47.88,-59.71,;49.21,-60.48,;50.54,-59.71,;51.88,-60.48,;51.88,-62.02,;50.54,-62.79,;49.21,-62.02,;43.88,-60.48,;42.54,-59.71,;42.54,-58.17,;41.21,-60.48,;41.21,-62.02,;39.87,-62.79,;38.54,-62.02,;37.07,-62.5,;36.17,-61.25,;37.07,-60,;38.54,-60.48,;39.87,-59.71,;43.88,-52.78,;43.88,-51.24,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cc3ccccc3o2)CC1 |r,wU:3.2,wD:6.6,(30.81,-47.63,;31.58,-48.97,;33.12,-48.97,;30.81,-50.31,;31.58,-51.63,;30.81,-52.97,;29.27,-52.97,;28.5,-54.3,;29.27,-55.64,;28.5,-56.97,;26.96,-56.97,;26.19,-58.31,;24.65,-58.31,;23.88,-56.97,;22.34,-56.97,;21.57,-58.31,;20.03,-58.31,;19.26,-56.97,;20.03,-55.64,;21.57,-55.64,;26.96,-59.64,;28.5,-59.64,;29.27,-58.31,;29.27,-60.97,;28.64,-62.38,;29.79,-63.41,;29.79,-64.95,;31.12,-65.72,;32.46,-64.95,;32.46,-63.41,;31.12,-62.64,;30.8,-61.13,;28.5,-51.63,;29.27,-50.31,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc(F)cc2)CC1 |r,wU:3.2,wD:6.6,(16.3,-56.39,;14.96,-57.16,;14.96,-58.7,;13.63,-56.39,;12.3,-57.16,;10.96,-56.39,;10.96,-54.85,;9.63,-54.08,;9.63,-52.54,;8.29,-51.77,;6.96,-52.54,;5.63,-51.77,;4.29,-52.54,;4.29,-54.08,;2.96,-54.85,;2.96,-56.39,;1.63,-57.16,;.29,-56.39,;.29,-54.85,;1.63,-54.08,;5.63,-50.23,;6.96,-49.46,;8.29,-50.23,;6.96,-47.92,;5.63,-47.15,;5.63,-45.61,;6.96,-44.84,;6.96,-43.3,;8.29,-45.61,;8.29,-47.15,;12.3,-54.08,;13.63,-54.85,)|
CCOc1ccc(cc1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:27.32,wD:24.25,(65.95,-42.15,;65.95,-43.69,;64.61,-44.46,;64.61,-46,;63.29,-46.77,;63.29,-48.31,;64.61,-49.08,;65.95,-48.31,;65.95,-46.77,;64.61,-50.62,;63.29,-51.39,;63.29,-52.93,;61.95,-53.7,;61.95,-55.24,;60.61,-56.01,;60.61,-57.55,;59.28,-58.32,;57.95,-57.55,;57.95,-56.01,;59.28,-55.24,;64.61,-53.7,;65.95,-52.93,;67.29,-53.7,;67.29,-55.24,;68.61,-56.01,;68.61,-57.55,;69.95,-58.32,;71.29,-57.55,;71.29,-56.01,;69.95,-55.24,;72.62,-58.32,;73.95,-57.55,;72.62,-59.86,;65.95,-51.39,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc(cc2)C(F)(F)F)CC1 |r,wU:3.2,wD:6.6,(19.2,-17.74,;17.87,-18.51,;17.87,-20.05,;16.53,-17.74,;15.2,-18.51,;13.87,-17.74,;13.87,-16.2,;12.53,-15.43,;12.53,-13.89,;11.2,-13.12,;9.86,-13.89,;8.53,-13.12,;7.2,-13.89,;7.2,-15.43,;5.86,-16.2,;5.86,-17.74,;4.53,-18.51,;3.2,-17.74,;3.2,-16.2,;4.53,-15.43,;8.53,-11.58,;9.86,-10.81,;11.2,-11.58,;9.86,-9.27,;8.53,-8.5,;8.53,-6.96,;9.86,-6.19,;11.2,-6.96,;11.2,-8.5,;9.86,-4.65,;9.86,-3.11,;11.2,-3.88,;8.53,-3.88,;15.2,-15.43,;16.53,-16.2,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc(Cl)cc2)CC1 |r,wU:3.2,wD:6.6,(64.66,-54.69,;63.33,-55.46,;63.33,-57,;61.99,-54.69,;60.66,-55.46,;59.32,-54.69,;59.32,-53.15,;58,-52.38,;58,-50.84,;56.66,-50.07,;55.32,-50.84,;53.99,-50.07,;52.66,-50.84,;52.66,-52.38,;51.32,-53.15,;51.32,-54.69,;49.99,-55.46,;48.66,-54.69,;48.66,-53.15,;49.99,-52.38,;53.99,-48.53,;55.32,-47.76,;56.66,-48.53,;55.32,-46.22,;53.99,-45.45,;53.99,-43.91,;55.32,-43.14,;55.32,-41.6,;56.66,-43.91,;56.66,-45.45,;60.66,-52.38,;61.99,-53.15,)|
CC(=O)c1ccc(cc1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:27.32,wD:24.25,(22.43,-51.31,;23.76,-52.08,;23.76,-53.62,;25.1,-51.31,;26.44,-52.08,;27.76,-51.31,;27.76,-49.77,;26.44,-49,;25.1,-49.77,;29.1,-49,;29.1,-47.46,;30.43,-46.69,;30.43,-45.15,;31.77,-44.38,;31.77,-42.84,;30.43,-42.07,;30.43,-40.53,;31.77,-39.76,;33.1,-40.53,;33.1,-42.07,;31.77,-47.46,;31.77,-49,;33.1,-49.77,;34.44,-49,;35.77,-49.77,;35.77,-51.31,;37.1,-52.08,;38.43,-51.31,;38.43,-49.77,;37.1,-49,;39.77,-52.08,;41.1,-51.31,;39.77,-53.62,;30.43,-49.77,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc(CO)cc2)CC1 |r,wU:3.2,wD:6.6,(19.85,-50.08,;18.51,-50.85,;18.51,-52.39,;17.19,-50.08,;15.85,-50.85,;14.51,-50.08,;14.51,-48.54,;13.18,-47.77,;13.18,-46.23,;11.85,-45.46,;10.51,-46.23,;9.18,-45.46,;7.85,-46.23,;7.85,-47.77,;6.51,-48.54,;6.51,-50.08,;5.18,-50.85,;3.85,-50.08,;3.85,-48.54,;5.18,-47.77,;9.18,-43.92,;10.51,-43.15,;11.85,-43.92,;10.51,-41.61,;9.18,-40.84,;9.18,-39.3,;10.51,-38.53,;10.51,-36.99,;11.85,-36.22,;11.85,-39.3,;11.85,-40.84,;15.85,-47.77,;17.19,-48.54,)|
CC(=O)Nc1ccc(cc1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:28.33,wD:25.26,(48.05,-32.43,;49.39,-31.66,;49.39,-30.12,;50.72,-32.43,;52.05,-31.66,;53.38,-32.43,;54.72,-31.66,;54.72,-30.12,;53.38,-29.35,;52.05,-30.12,;56.05,-29.35,;56.05,-27.81,;57.39,-27.04,;57.39,-25.5,;58.72,-24.73,;58.72,-23.19,;57.39,-22.42,;57.39,-20.88,;58.72,-20.11,;60.05,-20.88,;60.05,-22.42,;58.72,-27.81,;58.72,-29.35,;60.05,-30.12,;61.38,-29.35,;62.72,-30.12,;62.72,-31.66,;64.06,-32.43,;65.38,-31.66,;65.38,-30.12,;64.06,-29.35,;66.72,-32.43,;68.06,-31.66,;66.72,-33.97,;57.39,-30.12,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cccc(c2)C(F)(F)F)CC1 |r,wU:3.2,wD:6.6,(38.84,-31.91,;37.5,-32.68,;37.5,-34.22,;36.17,-31.91,;34.84,-32.68,;33.5,-31.91,;33.5,-30.37,;32.17,-29.6,;32.17,-28.06,;30.83,-27.29,;29.5,-28.06,;28.17,-27.29,;26.83,-28.06,;26.83,-29.6,;25.5,-30.37,;25.5,-31.91,;24.17,-32.68,;22.83,-31.91,;22.83,-30.37,;24.17,-29.6,;28.17,-25.75,;29.5,-24.98,;30.83,-25.75,;29.5,-23.44,;30.83,-22.67,;30.83,-21.13,;29.5,-20.36,;28.17,-21.13,;28.17,-22.67,;26.83,-20.36,;25.5,-19.59,;26.83,-18.82,;25.5,-21.13,;34.84,-29.6,;36.17,-30.37,)|
Cc1cccc(c1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:25.30,wD:22.23,(6.23,-16.39,;7.57,-17.16,;8.89,-16.39,;10.23,-17.16,;10.23,-18.7,;8.89,-19.47,;7.57,-18.7,;8.89,-21.01,;7.57,-21.78,;7.57,-23.32,;6.23,-24.09,;6.23,-25.63,;4.89,-26.4,;4.89,-27.94,;3.57,-28.71,;2.23,-27.94,;2.23,-26.4,;3.57,-25.63,;8.89,-24.09,;10.23,-23.32,;11.57,-24.09,;11.57,-25.63,;12.9,-26.4,;12.9,-27.94,;14.23,-28.71,;15.57,-27.94,;15.57,-26.4,;14.23,-25.63,;16.9,-28.71,;18.23,-27.94,;16.9,-30.25,;10.23,-21.78,)|
COc1cccc(c1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:26.31,wD:23.24,(60.99,-.76,;60.99,-2.3,;62.33,-3.07,;63.66,-2.3,;64.99,-3.07,;64.99,-4.61,;63.66,-5.38,;62.33,-4.61,;63.66,-6.92,;62.33,-7.69,;62.33,-9.23,;60.99,-10,;60.99,-11.54,;59.66,-12.31,;59.66,-13.85,;58.33,-14.62,;56.99,-13.85,;56.99,-12.31,;58.33,-11.54,;63.66,-10,;64.99,-9.23,;66.33,-10,;66.33,-11.54,;67.66,-12.31,;67.66,-13.85,;68.99,-14.62,;70.33,-13.85,;70.33,-12.31,;68.99,-11.54,;71.66,-14.62,;73,-13.85,;71.66,-16.16,;64.99,-7.69,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cccc(CO)c2)CC1 |r,wU:3.2,wD:6.6,(58.63,-14.47,;57.3,-15.24,;57.3,-16.78,;55.96,-14.47,;54.63,-15.24,;53.3,-14.47,;53.3,-12.93,;51.97,-12.16,;51.97,-10.62,;50.63,-9.85,;49.3,-10.62,;47.96,-9.85,;46.63,-10.62,;46.63,-12.16,;45.29,-12.93,;45.29,-14.47,;43.97,-15.24,;42.63,-14.47,;42.63,-12.93,;43.97,-12.16,;47.96,-8.31,;49.3,-7.54,;50.63,-8.31,;49.3,-6,;50.63,-5.23,;50.63,-3.69,;49.3,-2.92,;47.96,-3.69,;46.63,-2.92,;46.63,-1.38,;47.96,-5.23,;54.63,-12.16,;55.96,-12.93,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cccc(O)c2)CC1 |r,wU:3.2,wD:6.6,(37.46,-13.19,;36.12,-13.96,;36.12,-15.5,;34.78,-13.19,;33.45,-13.96,;32.12,-13.19,;32.12,-11.65,;30.79,-10.88,;30.79,-9.34,;29.45,-8.57,;28.12,-9.34,;26.78,-8.57,;25.45,-9.34,;25.45,-10.88,;24.12,-11.65,;24.12,-13.19,;22.79,-13.96,;21.45,-13.19,;21.45,-11.65,;22.79,-10.88,;26.78,-7.03,;28.12,-6.26,;29.45,-7.03,;28.12,-4.72,;29.45,-3.95,;29.45,-2.41,;28.12,-1.64,;26.78,-2.41,;25.45,-1.64,;26.78,-3.95,;33.45,-10.88,;34.78,-11.65,)|
CC(=O)c1cccc(c1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:27.32,wD:24.25,(5.06,-16.93,;6.39,-16.16,;7.73,-16.93,;6.39,-14.62,;5.06,-13.85,;5.06,-12.31,;6.39,-11.54,;7.73,-12.31,;7.73,-13.85,;9.06,-11.54,;9.06,-10,;10.39,-9.23,;10.39,-7.69,;11.72,-6.92,;11.72,-5.38,;10.39,-4.61,;10.39,-3.07,;11.72,-2.3,;13.06,-3.07,;13.06,-4.61,;11.72,-10,;11.72,-11.54,;13.06,-12.31,;14.39,-11.54,;15.73,-12.31,;15.73,-13.85,;17.06,-14.62,;18.4,-13.85,;18.4,-12.31,;17.06,-11.54,;19.73,-14.62,;21.06,-13.85,;19.73,-16.16,;10.39,-12.31,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2F)CC1 |r,wU:3.2,wD:6.6,(46.52,-53.26,;47.86,-54.03,;47.86,-55.57,;49.2,-53.26,;49.2,-51.72,;50.53,-50.95,;51.86,-51.72,;53.2,-50.95,;54.53,-51.72,;55.86,-50.95,;55.86,-49.41,;57.2,-48.64,;57.2,-47.1,;55.86,-46.33,;55.86,-44.79,;54.53,-44.02,;54.53,-42.48,;55.86,-41.71,;57.2,-42.48,;57.2,-44.02,;58.53,-49.41,;58.53,-50.95,;57.2,-51.72,;59.86,-51.72,;59.86,-53.26,;61.2,-54.03,;62.53,-53.26,;62.53,-51.72,;61.2,-50.95,;61.2,-49.41,;51.86,-53.26,;50.53,-54.03,)|
CS(=O)(=O)c1ccc(CNc2cc(nc(NC[C@H]3CC[C@@H](CC3)C(N)=O)n2)-c2ccccc2)cc1 |r,wU:20.23,wD:17.16,(22.66,-52.13,;24.14,-52.53,;24.91,-53.86,;23.37,-53.86,;25.48,-51.76,;26.81,-52.53,;28.14,-51.76,;28.14,-50.22,;29.48,-49.45,;29.48,-47.91,;30.81,-47.14,;30.81,-45.6,;32.14,-44.83,;33.48,-45.6,;33.48,-47.14,;34.81,-47.91,;34.81,-49.45,;36.14,-50.22,;36.14,-51.76,;37.48,-52.53,;38.82,-51.76,;38.82,-50.22,;37.48,-49.45,;40.14,-52.53,;41.48,-51.76,;40.14,-54.07,;32.14,-47.91,;32.14,-43.29,;30.81,-42.52,;30.81,-40.98,;32.14,-40.21,;33.48,-40.98,;33.48,-42.52,;26.81,-49.45,;25.48,-50.22,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccc(cc3)S(N)(=O)=O)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(17.94,-50.49,;16.6,-51.26,;16.6,-52.8,;15.27,-50.49,;13.94,-51.26,;12.6,-50.49,;12.6,-48.95,;11.27,-48.18,;9.94,-48.95,;8.6,-48.18,;8.6,-46.64,;7.27,-45.87,;7.27,-44.33,;8.6,-43.56,;8.6,-42.02,;7.27,-41.25,;7.27,-39.71,;8.6,-38.94,;9.94,-39.71,;9.94,-41.25,;8.6,-37.4,;7.27,-36.63,;10.14,-37.4,;9.69,-36.31,;5.93,-46.64,;5.93,-48.18,;7.27,-48.95,;4.6,-48.95,;4.6,-50.49,;3.27,-51.26,;1.93,-50.49,;1.93,-48.95,;3.27,-48.18,;13.94,-48.18,;15.27,-48.95,)|
COc1ccc(CNc2cc(nc(NC[C@H]3CC[C@@H](CC3)C(N)=O)n2)-c2ccccc2)cc1 |r,wU:18.21,wD:15.14,(46.75,-32.85,;48.09,-33.62,;49.42,-32.85,;50.76,-33.62,;52.09,-32.85,;52.09,-31.31,;53.43,-30.54,;53.43,-29,;54.76,-28.23,;54.76,-26.69,;56.09,-25.92,;57.43,-26.69,;57.43,-28.23,;58.76,-29,;58.76,-30.54,;60.09,-31.31,;60.09,-32.85,;61.43,-33.62,;62.76,-32.85,;62.76,-31.31,;61.43,-30.54,;64.09,-33.62,;65.43,-32.85,;64.09,-35.16,;56.09,-29,;56.09,-24.38,;54.76,-23.61,;54.76,-22.07,;56.09,-21.3,;57.43,-22.07,;57.43,-23.61,;50.76,-30.54,;49.42,-31.31,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccc(Cl)cc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(37.84,-32.52,;36.51,-33.29,;36.51,-34.83,;35.17,-32.52,;33.83,-33.29,;32.51,-32.52,;32.51,-30.98,;31.17,-30.21,;31.17,-28.67,;29.84,-27.9,;28.51,-28.67,;27.17,-27.9,;25.84,-28.67,;25.84,-30.21,;24.5,-30.98,;24.5,-32.52,;23.17,-33.29,;21.84,-32.52,;20.5,-33.29,;21.84,-30.98,;23.17,-30.21,;27.17,-26.36,;28.51,-25.59,;29.84,-26.36,;28.51,-24.05,;27.17,-23.28,;27.17,-21.74,;28.51,-20.97,;29.84,-21.74,;29.84,-23.28,;33.83,-30.21,;35.17,-30.98,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccc(F)cc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(17.65,-31.18,;16.31,-31.95,;16.31,-33.49,;14.98,-31.18,;13.65,-31.95,;12.31,-31.18,;12.31,-29.64,;10.98,-28.87,;10.98,-27.33,;9.65,-26.56,;8.31,-27.33,;6.98,-26.56,;5.65,-27.33,;5.65,-28.87,;4.31,-29.64,;4.31,-31.18,;2.97,-31.95,;1.64,-31.18,;.31,-31.95,;1.64,-29.64,;2.97,-28.87,;6.98,-25.02,;8.31,-24.25,;9.65,-25.02,;8.31,-22.71,;6.98,-21.94,;6.98,-20.4,;8.31,-19.63,;9.65,-20.4,;9.65,-21.94,;13.65,-28.87,;14.98,-29.64,)|
Cc1ccc(CNc2cc(nc(NC[C@H]3CC[C@@H](CC3)C(N)=O)n2)-c2ccccc2)cc1 |r,wU:17.20,wD:14.13,(56.11,-15.91,;57.45,-15.14,;58.78,-15.91,;60.11,-15.14,;60.11,-13.6,;61.45,-12.83,;61.45,-11.29,;62.78,-10.52,;62.78,-8.98,;64.11,-8.21,;65.45,-8.98,;65.45,-10.52,;66.79,-11.29,;66.79,-12.83,;68.11,-13.6,;68.11,-15.14,;69.45,-15.91,;70.79,-15.14,;70.79,-13.6,;69.45,-12.83,;72.12,-15.91,;73.45,-15.14,;72.12,-17.45,;64.11,-11.29,;64.11,-6.67,;62.78,-5.9,;62.78,-4.36,;64.11,-3.59,;65.45,-4.36,;65.45,-5.9,;58.78,-12.83,;57.45,-13.6,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3cccc(c3)S(N)(=O)=O)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(55.28,-13.6,;53.95,-14.37,;53.95,-15.91,;52.61,-13.6,;51.28,-14.37,;49.94,-13.6,;49.94,-12.06,;48.62,-11.29,;47.28,-12.06,;45.94,-11.29,;45.94,-9.75,;44.61,-8.98,;44.61,-7.44,;45.94,-6.67,;45.94,-5.13,;47.28,-4.36,;47.28,-2.82,;45.94,-2.05,;44.61,-2.82,;44.61,-4.36,;43.28,-2.05,;41.94,-2.82,;42.51,-.71,;44.05,-.71,;43.28,-9.75,;43.28,-11.29,;44.61,-12.06,;41.94,-12.06,;41.94,-13.6,;40.61,-14.37,;39.28,-13.6,;39.28,-12.06,;40.61,-11.29,;51.28,-11.29,;52.61,-12.06,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3cccc(c3)[N+]([O-])=O)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(38.33,-15.23,;36.99,-16,;36.99,-17.54,;35.66,-15.23,;34.33,-16,;33,-15.23,;33,-13.69,;31.66,-12.92,;31.66,-11.38,;30.33,-10.61,;28.99,-11.38,;27.66,-10.61,;26.33,-11.38,;26.33,-12.92,;25,-13.69,;23.66,-12.92,;22.32,-13.69,;22.32,-15.23,;23.66,-16,;25,-15.23,;23.66,-17.54,;22.32,-18.31,;25,-18.31,;27.66,-9.07,;28.99,-8.3,;30.33,-9.07,;28.99,-6.76,;27.66,-5.99,;27.66,-4.45,;28.99,-3.68,;30.33,-4.45,;30.33,-5.99,;34.33,-12.92,;35.66,-13.69,)|
COc1cccc(CNc2cc(nc(NC[C@H]3CC[C@@H](CC3)C(N)=O)n2)-c2ccccc2)c1 |r,wU:19.22,wD:16.15,(1.05,-15.69,;2.38,-14.92,;2.38,-13.38,;1.05,-12.61,;1.05,-11.07,;2.38,-10.3,;3.71,-11.07,;5.05,-10.3,;5.05,-8.76,;6.38,-7.99,;6.38,-6.45,;7.71,-5.68,;9.05,-6.45,;9.05,-7.99,;10.38,-8.76,;10.38,-10.3,;11.71,-11.07,;11.71,-12.61,;13.05,-13.38,;14.39,-12.61,;14.39,-11.07,;13.05,-10.3,;15.71,-13.38,;17.05,-12.61,;15.71,-14.92,;7.71,-8.76,;7.71,-4.14,;6.38,-3.37,;6.38,-1.83,;7.71,-1.06,;9.05,-1.83,;9.05,-3.37,;3.71,-12.61,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3cccc(Cl)c3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(72.01,-56.47,;70.67,-57.24,;70.67,-58.78,;69.34,-56.47,;68.01,-57.24,;66.67,-56.47,;66.67,-54.93,;65.34,-54.16,;65.34,-52.62,;64.01,-51.85,;62.67,-52.62,;61.34,-51.85,;60,-52.62,;60,-54.16,;58.67,-54.93,;57.34,-54.16,;56,-54.93,;56,-56.47,;57.34,-57.24,;57.34,-58.78,;58.67,-56.47,;61.34,-50.31,;62.67,-49.54,;64.01,-50.31,;62.67,-48,;61.34,-47.23,;61.34,-45.69,;62.67,-44.92,;64.01,-45.69,;64.01,-47.23,;68.01,-54.16,;69.34,-54.93,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3cccc(F)c3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(57.75,-56.4,;56.42,-57.17,;56.42,-58.71,;55.09,-56.4,;53.75,-57.17,;52.41,-56.4,;52.41,-54.86,;51.09,-54.09,;51.09,-52.55,;49.75,-51.78,;48.41,-52.55,;47.08,-51.78,;45.75,-52.55,;45.75,-54.09,;44.41,-54.86,;43.08,-54.09,;41.75,-54.86,;41.75,-56.4,;43.08,-57.17,;43.08,-58.71,;44.41,-56.4,;47.08,-50.24,;48.41,-49.47,;49.75,-50.24,;48.41,-47.93,;47.08,-47.16,;47.08,-45.62,;48.41,-44.85,;49.75,-45.62,;49.75,-47.16,;53.75,-54.09,;55.09,-54.86,)|
Cc1cccc(CNc2cc(nc(NC[C@H]3CC[C@@H](CC3)C(N)=O)n2)-c2ccccc2)c1 |r,wU:18.21,wD:15.14,(23.44,-57.57,;23.44,-56.03,;22.11,-55.26,;22.11,-53.72,;23.44,-52.95,;24.77,-53.72,;26.11,-52.95,;26.11,-51.41,;27.45,-50.64,;27.45,-49.1,;28.77,-48.33,;30.11,-49.1,;30.11,-50.64,;31.45,-51.41,;31.45,-52.95,;32.78,-53.72,;32.78,-55.26,;34.11,-56.03,;35.45,-55.26,;35.45,-53.72,;34.11,-52.95,;36.78,-56.03,;38.11,-55.26,;36.78,-57.57,;28.77,-51.41,;28.77,-46.79,;27.45,-46.02,;27.45,-44.48,;28.77,-43.71,;30.11,-44.48,;30.11,-46.02,;24.77,-55.26,)|
COc1ccccc1CNc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1)-c1ccccc1 |r,wU:20.24,wD:17.17,(7.22,-54.69,;7.22,-53.15,;5.89,-52.38,;4.56,-53.15,;3.22,-52.38,;3.22,-50.84,;4.56,-50.07,;5.89,-50.84,;7.22,-50.07,;7.22,-48.53,;8.55,-47.76,;8.55,-46.22,;9.89,-45.45,;11.22,-46.22,;11.22,-47.76,;12.56,-48.53,;12.56,-50.07,;13.89,-50.84,;13.89,-52.38,;15.22,-53.15,;16.55,-52.38,;16.55,-50.84,;15.22,-50.07,;17.89,-53.15,;19.22,-52.38,;17.89,-54.69,;9.89,-48.53,;9.89,-43.91,;8.55,-43.14,;8.55,-41.6,;9.89,-40.83,;11.22,-41.6,;11.22,-43.14,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3Br)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(72.82,-48.43,;71.48,-49.2,;71.48,-50.74,;70.15,-48.43,;68.82,-49.2,;67.48,-48.43,;67.48,-46.89,;66.15,-46.12,;66.15,-44.58,;64.82,-43.81,;63.48,-44.58,;62.15,-43.81,;60.82,-44.58,;60.82,-46.12,;59.48,-46.89,;58.15,-46.12,;56.82,-46.89,;56.82,-48.43,;58.15,-49.2,;59.48,-48.43,;60.82,-49.2,;62.15,-42.27,;63.48,-41.5,;64.82,-42.27,;63.48,-39.96,;62.15,-39.19,;62.15,-37.65,;63.48,-36.88,;64.82,-37.65,;64.82,-39.19,;68.82,-46.12,;70.15,-46.89,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3Cl)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(56.34,-47.7,;55.01,-48.47,;55.01,-50.01,;53.68,-47.7,;52.34,-48.47,;51.01,-47.7,;51.01,-46.16,;49.68,-45.39,;49.68,-43.85,;48.34,-43.08,;47.01,-43.85,;45.68,-43.08,;44.34,-43.85,;44.34,-45.39,;43,-46.16,;41.68,-45.39,;40.34,-46.16,;40.34,-47.7,;41.68,-48.47,;43,-47.7,;44.34,-48.47,;45.68,-41.54,;47.01,-40.77,;48.34,-41.54,;47.01,-39.23,;45.68,-38.46,;45.68,-36.92,;47.01,-36.15,;48.34,-36.92,;48.34,-38.46,;52.34,-45.39,;53.68,-46.16,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3F)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(36.56,-45.68,;35.22,-46.45,;35.22,-47.99,;33.89,-45.68,;32.56,-46.45,;31.22,-45.68,;31.22,-44.14,;29.9,-43.37,;29.9,-41.83,;28.56,-41.06,;27.22,-41.83,;25.89,-41.06,;24.56,-41.83,;24.56,-43.37,;23.22,-44.14,;21.89,-43.37,;20.56,-44.14,;20.56,-45.68,;21.89,-46.45,;23.22,-45.68,;24.56,-46.45,;25.89,-39.52,;27.22,-38.75,;28.56,-39.52,;27.22,-37.21,;25.89,-36.44,;25.89,-34.9,;27.22,-34.13,;28.56,-34.9,;28.56,-36.44,;32.56,-43.37,;33.89,-44.14,)|
Cc1ccccc1CNc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1)-c1ccccc1 |r,wU:19.23,wD:16.16,(5.87,-44.04,;4.53,-43.27,;3.2,-44.04,;1.87,-43.27,;1.87,-41.73,;3.2,-40.96,;4.53,-41.73,;5.87,-40.96,;5.87,-39.42,;7.2,-38.65,;7.2,-37.11,;8.53,-36.34,;9.87,-37.11,;9.87,-38.65,;11.21,-39.42,;11.21,-40.96,;12.53,-41.73,;12.53,-43.27,;13.87,-44.04,;15.2,-43.27,;15.2,-41.73,;13.87,-40.96,;16.54,-44.04,;17.87,-43.27,;16.54,-45.58,;8.53,-39.42,;8.53,-34.8,;7.2,-34.03,;7.2,-32.49,;8.53,-31.72,;9.87,-32.49,;9.87,-34.03,)|
NNC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:4.3,wD:7.7,(60.66,-26.3,;60.66,-27.84,;59.32,-28.61,;59.32,-30.15,;58,-27.84,;56.66,-28.61,;55.32,-27.84,;55.32,-26.3,;53.99,-25.53,;53.99,-23.99,;52.66,-23.22,;51.32,-23.99,;49.99,-23.22,;48.66,-23.99,;48.66,-25.53,;47.32,-26.3,;47.32,-27.84,;45.99,-28.61,;44.66,-27.84,;44.66,-26.3,;45.99,-25.53,;49.99,-21.68,;51.32,-20.91,;52.66,-21.68,;51.32,-19.37,;49.99,-18.6,;49.99,-17.06,;51.32,-16.29,;52.66,-17.06,;52.66,-18.6,;56.66,-25.53,;58,-26.3,)|
FC(F)(F)S(=O)(=O)NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:10.9,wD:13.13,(38.76,-33.16,;40.09,-32.39,;41.42,-33.16,;40.08,-33.93,;40.09,-30.85,;40.86,-29.52,;41.63,-30.85,;38.75,-30.08,;37.42,-30.85,;37.42,-32.39,;36.09,-30.08,;34.75,-30.85,;33.42,-30.08,;33.42,-28.54,;32.09,-27.77,;32.09,-26.23,;30.75,-25.46,;29.42,-26.23,;28.09,-25.46,;26.75,-26.23,;26.75,-27.77,;25.41,-28.54,;25.41,-30.08,;24.08,-30.85,;22.75,-30.08,;22.75,-28.54,;24.08,-27.77,;28.09,-23.92,;29.42,-23.15,;30.75,-23.92,;29.42,-21.61,;28.09,-20.84,;28.09,-19.3,;29.42,-18.53,;30.75,-19.3,;30.75,-20.84,;34.75,-27.77,;36.09,-28.54,)|
CS(=O)(=O)NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:7.6,wD:10.10,(18.74,-32.4,;18.74,-30.86,;19.51,-29.53,;20.28,-30.86,;17.4,-30.09,;16.07,-30.86,;16.07,-32.4,;14.74,-30.09,;13.4,-30.86,;12.07,-30.09,;12.07,-28.55,;10.74,-27.78,;10.74,-26.24,;9.4,-25.47,;8.07,-26.24,;6.74,-25.47,;5.4,-26.24,;5.4,-27.78,;4.06,-28.55,;4.06,-30.09,;2.74,-30.86,;1.4,-30.09,;1.4,-28.55,;2.74,-27.78,;6.74,-23.93,;8.07,-23.16,;9.4,-23.93,;8.07,-21.62,;6.74,-20.85,;6.74,-19.31,;8.07,-18.54,;9.4,-19.31,;9.4,-20.85,;13.4,-27.78,;14.74,-28.55,)|
CNC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:4.3,wD:7.7,(70.04,-13.2,;70.04,-14.74,;68.7,-15.51,;68.7,-17.05,;67.37,-14.74,;66.04,-15.51,;64.71,-14.74,;64.71,-13.2,;63.37,-12.43,;63.37,-10.89,;62.04,-10.12,;60.7,-10.89,;59.37,-10.12,;58.04,-10.89,;58.04,-12.43,;56.71,-13.2,;56.71,-14.74,;55.37,-15.51,;54.03,-14.74,;54.03,-13.2,;55.37,-12.43,;59.37,-8.58,;60.7,-7.81,;62.04,-8.58,;60.7,-6.27,;59.37,-5.5,;59.37,-3.96,;60.7,-3.19,;62.04,-3.96,;62.04,-5.5,;66.04,-12.43,;67.37,-13.2,)|
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(52.53,-14.05,;51.2,-14.82,;51.2,-16.36,;49.87,-14.05,;48.53,-14.82,;47.2,-14.05,;47.2,-12.51,;45.87,-11.74,;45.87,-10.2,;44.53,-9.43,;43.19,-10.2,;41.87,-9.43,;40.53,-10.2,;40.53,-11.74,;39.19,-12.51,;39.19,-14.05,;37.86,-14.82,;36.53,-14.05,;36.53,-12.51,;37.86,-11.74,;41.87,-7.89,;43.19,-7.12,;44.53,-7.89,;43.19,-5.58,;41.87,-4.81,;41.87,-3.27,;43.19,-2.5,;44.53,-3.27,;44.53,-4.81,;48.53,-11.74,;49.87,-12.51,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2)N2CCOCC2)CC1 |r,wU:3.2,wD:6.6,(33.62,-11.9,;32.29,-12.67,;32.29,-14.21,;30.96,-11.9,;29.62,-12.67,;28.3,-11.9,;28.3,-10.36,;26.96,-9.59,;25.63,-10.36,;24.3,-9.59,;22.97,-10.36,;21.63,-9.59,;21.63,-8.06,;22.97,-7.29,;24.3,-8.06,;22.97,-5.75,;21.63,-4.98,;21.63,-3.44,;22.97,-2.67,;24.3,-3.44,;24.3,-4.98,;20.3,-10.36,;20.3,-11.9,;18.97,-12.67,;17.63,-11.9,;17.63,-10.36,;18.97,-9.59,;29.62,-9.59,;30.96,-10.36,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(NC3CCCCC3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(15.35,-12.94,;14.02,-13.71,;14.02,-15.25,;12.68,-12.94,;11.34,-13.71,;10.01,-12.94,;10.01,-11.4,;8.68,-10.63,;8.68,-9.09,;7.35,-8.32,;6.01,-9.09,;4.68,-8.32,;3.34,-9.09,;3.34,-10.63,;4.68,-11.4,;4.68,-12.94,;3.34,-13.71,;2.01,-12.94,;2.01,-11.4,;4.68,-6.78,;6.01,-6.01,;7.35,-6.78,;6.01,-4.47,;4.68,-3.7,;4.68,-2.16,;6.01,-1.39,;7.35,-2.16,;7.35,-3.7,;11.34,-10.63,;12.68,-11.4,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(Nc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(59.29,-56.65,;57.96,-57.42,;57.96,-58.96,;56.63,-56.65,;55.29,-57.42,;53.96,-56.65,;53.96,-55.11,;52.62,-54.34,;51.29,-55.11,;49.96,-54.34,;49.96,-52.8,;48.62,-52.03,;48.62,-50.49,;49.96,-49.72,;49.96,-48.18,;51.29,-47.41,;52.62,-48.18,;52.62,-49.72,;51.29,-50.49,;47.29,-52.8,;47.29,-54.34,;48.62,-55.11,;45.95,-55.11,;45.95,-56.65,;44.62,-57.42,;43.29,-56.65,;43.29,-55.11,;44.62,-54.34,;55.29,-54.34,;56.63,-55.11,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(37.31,-57.24,;35.98,-58.01,;35.98,-59.55,;34.65,-57.24,;33.31,-58.01,;31.98,-57.24,;31.98,-55.7,;30.64,-54.93,;30.64,-53.39,;29.31,-52.62,;27.98,-53.39,;26.64,-52.62,;25.31,-53.39,;25.31,-54.93,;23.97,-55.7,;23.97,-57.24,;22.64,-58.01,;21.31,-57.24,;21.31,-55.7,;22.64,-54.93,;26.64,-51.08,;27.98,-50.31,;29.31,-51.08,;27.98,-48.77,;26.64,-48,;26.64,-46.46,;27.98,-45.69,;29.31,-46.46,;29.31,-48,;33.31,-54.93,;34.65,-55.7,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2)-c2ccoc2)CC1 |r,wU:3.2,wD:6.6,(18.04,-52.45,;16.71,-53.22,;16.71,-54.76,;15.37,-52.45,;14.04,-53.22,;12.71,-52.45,;12.71,-50.91,;11.37,-50.14,;10.04,-50.91,;8.7,-50.14,;7.37,-50.91,;6.04,-50.14,;6.04,-48.6,;7.37,-47.83,;8.7,-48.6,;7.37,-46.29,;6.04,-45.52,;6.04,-43.98,;7.37,-43.21,;8.7,-43.98,;8.7,-45.52,;4.7,-50.91,;4.54,-52.45,;3.03,-52.77,;2.26,-51.43,;3.29,-50.29,;14.04,-50.14,;15.37,-50.91,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccncc2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(59.29,-44.54,;57.96,-45.31,;57.96,-46.85,;56.63,-44.54,;55.29,-45.31,;53.96,-44.54,;53.96,-43,;52.62,-42.23,;51.29,-43,;49.96,-42.23,;48.62,-43,;47.29,-42.23,;47.29,-40.69,;48.62,-39.92,;49.96,-40.69,;48.62,-38.38,;49.96,-37.61,;49.96,-36.07,;48.62,-35.3,;47.29,-36.07,;47.29,-37.61,;45.95,-43,;45.95,-44.54,;44.62,-45.31,;43.29,-44.54,;43.29,-43,;44.62,-42.23,;55.29,-42.23,;56.63,-43,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2cccnc2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(39.62,-42.6,;38.29,-43.37,;38.29,-44.91,;36.95,-42.6,;35.62,-43.37,;34.29,-42.6,;34.29,-41.06,;32.96,-40.3,;31.62,-41.06,;30.3,-40.3,;28.96,-41.06,;27.63,-40.3,;27.63,-38.76,;28.96,-37.99,;30.3,-38.76,;28.96,-36.45,;27.63,-35.68,;27.63,-34.14,;28.96,-33.37,;30.3,-34.14,;30.3,-35.68,;26.29,-41.06,;26.29,-42.6,;24.97,-43.37,;23.63,-42.6,;23.63,-41.06,;24.97,-40.3,;35.62,-40.3,;36.95,-41.06,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2)-c2ccco2)CC1 |r,wU:3.2,wD:6.6,(19.25,-38.07,;17.91,-38.84,;17.91,-40.38,;16.58,-38.07,;15.25,-38.84,;13.91,-38.07,;13.91,-36.53,;12.57,-35.76,;11.25,-36.53,;9.91,-35.76,;8.57,-36.53,;7.25,-35.76,;7.25,-34.22,;8.57,-33.45,;9.91,-34.22,;8.57,-31.91,;7.25,-31.14,;7.25,-29.6,;8.57,-28.83,;9.91,-29.6,;9.91,-31.14,;5.91,-36.53,;5.75,-38.06,;4.24,-38.39,;3.47,-37.05,;4.5,-35.91,;15.25,-35.76,;16.58,-36.53,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccc3[nH]ccc3c2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(59.18,-28.09,;57.84,-28.86,;57.84,-30.4,;56.5,-28.09,;55.18,-28.86,;53.84,-28.09,;53.84,-26.55,;52.5,-25.78,;51.17,-26.55,;49.84,-25.78,;49.84,-24.24,;48.5,-23.47,;47.17,-24.24,;47.17,-25.78,;48.5,-26.55,;45.84,-26.55,;45.84,-28.09,;44.5,-28.86,;43.17,-28.09,;41.71,-28.57,;40.8,-27.32,;41.71,-26.08,;43.17,-26.55,;44.5,-25.78,;48.5,-21.93,;47.17,-21.16,;47.17,-19.62,;48.5,-18.85,;49.84,-19.62,;49.84,-21.16,;55.18,-25.78,;56.5,-26.55,)|
Nc1ccc(cc1[N+]([O-])=O)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:20.24,wD:17.17,(23.21,-28.81,;24.55,-28.04,;24.55,-26.5,;25.88,-25.73,;27.22,-26.5,;27.22,-28.04,;25.88,-28.81,;25.88,-30.35,;27.22,-31.12,;24.55,-31.12,;28.55,-25.73,;28.55,-24.19,;29.89,-23.42,;31.21,-24.19,;31.21,-25.73,;32.55,-26.5,;33.89,-25.73,;35.22,-26.5,;35.22,-28.04,;36.55,-28.81,;37.89,-28.04,;37.89,-26.5,;36.55,-25.73,;39.22,-28.81,;40.55,-28.04,;39.22,-30.35,;29.89,-26.5,;29.89,-21.88,;28.55,-21.11,;28.55,-19.57,;29.89,-18.8,;31.21,-19.57,;31.21,-21.11,)|
Nc1ccc(cc1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:17.21,wD:14.14,(2.83,-25.16,;4.17,-24.39,;5.51,-25.16,;6.84,-24.39,;6.84,-22.85,;5.51,-22.08,;4.17,-22.85,;8.17,-22.08,;8.17,-20.54,;9.51,-19.77,;10.84,-20.54,;10.84,-22.08,;12.17,-22.85,;13.51,-22.08,;14.84,-22.85,;14.84,-24.39,;16.17,-25.16,;17.51,-24.39,;17.51,-22.85,;16.17,-22.08,;18.84,-25.16,;20.17,-24.39,;18.84,-26.7,;9.51,-22.85,;9.51,-18.23,;8.17,-17.46,;8.17,-15.92,;9.51,-15.15,;10.84,-15.92,;10.84,-17.46,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(63.15,-9.74,;61.82,-10.51,;61.82,-12.05,;60.48,-9.74,;59.15,-10.51,;57.82,-9.74,;57.82,-8.2,;56.48,-7.43,;55.15,-8.2,;53.81,-7.43,;53.81,-5.89,;52.48,-5.12,;51.15,-5.89,;51.15,-7.43,;52.48,-8.2,;49.81,-8.2,;49.81,-9.74,;48.48,-10.51,;47.15,-9.74,;47.15,-8.2,;48.48,-7.43,;45.81,-10.51,;44.48,-9.74,;45.81,-12.05,;52.48,-3.58,;51.15,-2.81,;51.15,-1.27,;52.48,-.5,;53.81,-1.27,;53.81,-2.81,;59.15,-7.43,;60.48,-8.2,)|
CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:20.24,wD:17.17,(25.97,-12.35,;27.45,-12.75,;28.22,-14.09,;26.68,-14.09,;28.79,-11.98,;30.12,-12.75,;31.45,-11.98,;31.45,-10.44,;30.12,-9.67,;28.79,-10.44,;32.79,-9.67,;32.79,-8.13,;34.13,-7.36,;35.45,-8.13,;35.45,-9.67,;36.79,-10.44,;38.12,-9.67,;39.46,-10.44,;39.46,-11.98,;40.79,-12.75,;42.12,-11.98,;42.12,-10.44,;40.79,-9.67,;43.46,-12.75,;44.79,-11.98,;43.46,-14.29,;34.13,-10.44,;34.13,-5.82,;32.79,-5.05,;32.79,-3.51,;34.13,-2.74,;35.45,-3.51,;35.45,-5.05,)|
COc1ccc(cc1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:18.22,wD:15.15,(2.14,-13.22,;2.14,-11.68,;3.48,-10.91,;4.81,-11.68,;6.14,-10.91,;6.14,-9.37,;4.81,-8.6,;3.48,-9.37,;7.48,-8.6,;7.48,-7.06,;8.81,-6.29,;10.14,-7.06,;10.14,-8.6,;11.48,-9.37,;12.81,-8.6,;14.14,-9.37,;14.14,-10.91,;15.48,-11.68,;16.81,-10.91,;16.81,-9.37,;15.48,-8.6,;18.14,-11.68,;19.48,-10.91,;18.14,-13.22,;8.81,-9.37,;8.81,-4.75,;7.48,-3.98,;7.48,-2.44,;8.81,-1.67,;10.14,-2.44,;10.14,-3.98,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccc(Cl)cc2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(71.05,-56.73,;69.72,-57.5,;69.72,-59.04,;68.39,-56.73,;67.05,-57.5,;65.72,-56.73,;65.72,-55.19,;64.39,-54.42,;63.05,-55.19,;61.72,-54.42,;61.72,-52.88,;60.38,-52.11,;59.05,-52.88,;59.05,-54.42,;60.38,-55.19,;57.71,-55.19,;57.71,-56.73,;56.39,-57.5,;55.05,-56.73,;53.71,-57.5,;55.05,-55.19,;56.39,-54.42,;60.38,-50.57,;59.05,-49.8,;59.05,-48.26,;60.38,-47.49,;61.72,-48.26,;61.72,-49.8,;67.05,-54.42,;68.39,-55.19,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccc(F)cc2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(59.27,-54.94,;57.94,-55.71,;57.94,-57.25,;56.61,-54.94,;55.27,-55.71,;53.94,-54.94,;53.94,-53.4,;52.61,-52.63,;51.27,-53.4,;49.94,-52.63,;49.94,-51.09,;48.61,-50.32,;47.27,-51.09,;47.27,-52.63,;48.61,-53.4,;45.94,-53.4,;45.94,-54.94,;44.61,-55.71,;43.27,-54.94,;41.93,-55.71,;43.27,-53.4,;44.61,-52.63,;48.61,-48.78,;47.27,-48.01,;47.27,-46.47,;48.61,-45.7,;49.94,-46.47,;49.94,-48.01,;55.27,-52.63,;56.61,-53.4,)|
Cc1ccc(cc1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:17.21,wD:14.14,(28.74,-29.9,;28.74,-28.37,;27.42,-27.6,;27.42,-26.07,;28.75,-25.3,;30.07,-26.07,;30.08,-27.59,;28.75,-23.77,;30.09,-23,;30.09,-21.46,;28.75,-20.69,;27.42,-21.46,;26.09,-20.69,;24.76,-21.46,;23.42,-20.69,;23.42,-19.15,;22.08,-18.38,;20.75,-19.15,;20.75,-20.69,;22.08,-21.46,;19.42,-18.38,;18.08,-19.15,;19.42,-16.84,;27.42,-23,;31.42,-20.69,;32.75,-21.46,;34.09,-20.69,;34.09,-19.15,;32.75,-18.38,;31.42,-19.15,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2cccc(c2)N=[N+]=[N-])-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(19.75,-56.04,;18.42,-56.81,;18.42,-58.35,;17.08,-56.04,;15.75,-56.81,;14.42,-56.04,;14.42,-54.5,;13.09,-53.73,;11.75,-54.5,;10.42,-53.73,;10.42,-52.19,;9.08,-51.42,;7.75,-52.19,;7.75,-53.73,;9.08,-54.5,;6.41,-54.5,;5.09,-53.73,;3.75,-54.5,;3.75,-56.04,;5.09,-56.81,;6.41,-56.04,;5.09,-58.35,;3.75,-59.12,;2.41,-59.89,;9.08,-49.88,;7.75,-49.11,;7.75,-47.57,;9.08,-46.8,;10.42,-47.57,;10.42,-49.11,;15.75,-53.73,;17.08,-54.5,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2cccc(c2)[N+]([O-])=O)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(65.78,-56.55,;64.45,-57.32,;64.45,-58.86,;63.12,-56.55,;61.78,-57.32,;60.45,-56.55,;60.45,-55.01,;59.12,-54.24,;57.78,-55.01,;56.44,-54.24,;56.44,-52.7,;55.12,-51.93,;53.78,-52.7,;53.78,-54.24,;55.12,-55.01,;52.44,-55.01,;51.12,-54.24,;49.78,-55.01,;49.78,-56.55,;51.12,-57.32,;52.44,-56.55,;51.12,-58.86,;49.78,-59.63,;52.44,-59.63,;55.12,-50.39,;53.78,-49.62,;53.78,-48.08,;55.12,-47.31,;56.44,-48.08,;56.44,-49.62,;61.78,-54.24,;63.12,-55.01,)|
CS(=O)(=O)c1cccc(c1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:20.24,wD:17.17,(23.71,-56.26,;25.05,-55.49,;26.59,-55.49,;25.82,-56.82,;25.05,-53.95,;23.71,-53.18,;23.71,-51.64,;25.05,-50.87,;26.38,-51.64,;26.38,-53.18,;27.71,-50.87,;27.71,-49.33,;29.04,-48.57,;30.38,-49.33,;30.38,-50.87,;31.71,-51.64,;33.04,-50.87,;34.37,-51.64,;34.37,-53.18,;35.7,-53.95,;37.03,-53.18,;37.03,-51.64,;35.7,-50.87,;38.37,-53.95,;39.7,-53.18,;38.37,-55.49,;29.04,-51.64,;29.04,-47.03,;27.71,-46.26,;27.71,-44.72,;29.04,-43.95,;30.38,-44.72,;30.38,-46.26,)|
COc1cccc(c1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:18.22,wD:15.15,(2.35,-53.91,;3.69,-53.14,;3.69,-51.6,;2.35,-50.83,;2.35,-49.29,;3.69,-48.52,;5.01,-49.29,;5.01,-50.83,;6.35,-48.52,;6.35,-46.98,;7.68,-46.21,;9.02,-46.98,;9.02,-48.52,;10.35,-49.29,;11.68,-48.52,;13.02,-49.29,;13.02,-50.83,;14.35,-51.6,;15.68,-50.83,;15.68,-49.29,;14.35,-48.52,;17.02,-51.6,;18.34,-50.83,;17.02,-53.14,;7.68,-49.29,;7.68,-44.68,;6.35,-43.91,;6.35,-42.37,;7.68,-41.6,;9.02,-42.37,;9.02,-43.91,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2cccc(Cl)c2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(63.24,-42.38,;61.92,-43.15,;61.92,-44.69,;60.58,-42.38,;59.25,-43.15,;57.91,-42.38,;57.91,-40.84,;56.59,-40.08,;55.25,-40.84,;53.93,-40.08,;53.93,-38.54,;52.59,-37.77,;51.26,-38.54,;51.26,-40.08,;52.59,-40.84,;49.92,-40.84,;48.6,-40.08,;47.26,-40.84,;47.26,-42.38,;48.6,-43.15,;48.6,-44.69,;49.92,-42.38,;52.59,-36.23,;51.26,-35.46,;51.26,-33.92,;52.59,-33.15,;53.93,-33.92,;53.93,-35.46,;59.25,-40.08,;60.58,-40.84,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2cccc(F)c2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(39.19,-37.2,;37.86,-37.97,;37.86,-39.51,;36.52,-37.2,;35.19,-37.97,;33.86,-37.2,;33.86,-35.66,;32.53,-34.9,;31.2,-35.66,;29.87,-34.9,;29.87,-33.36,;28.53,-32.59,;27.2,-33.36,;27.2,-34.9,;28.53,-35.66,;25.87,-35.66,;24.54,-34.9,;23.21,-35.66,;23.21,-37.2,;24.54,-37.97,;24.54,-39.51,;25.87,-37.2,;28.53,-31.05,;27.2,-30.28,;27.2,-28.74,;28.53,-27.98,;29.87,-28.74,;29.87,-30.28,;35.19,-34.9,;36.52,-35.66,)|
Cc1cccc(c1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:17.21,wD:14.14,(10.04,-24.94,;8.71,-25.71,;7.37,-24.94,;6.03,-25.71,;6.03,-27.25,;7.37,-28.02,;8.71,-27.25,;7.37,-29.56,;6.03,-30.33,;6.03,-31.87,;7.37,-32.64,;8.71,-31.87,;10.03,-32.64,;11.37,-31.87,;12.71,-32.64,;12.71,-34.18,;14.04,-34.95,;15.37,-34.18,;15.37,-32.64,;14.04,-31.87,;16.71,-34.95,;18.04,-34.18,;16.71,-36.49,;8.71,-30.33,;4.7,-32.64,;4.7,-34.18,;3.37,-34.95,;2.03,-34.18,;2.03,-32.64,;3.37,-31.87,)|
COc1ccccc1-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:18.22,wD:15.15,(55.67,-27.16,;54.33,-27.93,;54.33,-29.47,;55.67,-30.23,;55.67,-31.77,;54.33,-32.54,;53,-31.77,;53,-30.23,;51.67,-29.47,;50.34,-30.23,;49,-29.47,;49,-27.93,;50.34,-27.16,;50.34,-25.62,;49,-24.85,;49,-23.31,;50.34,-22.54,;50.34,-21,;49,-20.23,;47.67,-21,;47.67,-22.54,;49,-18.69,;47.67,-17.92,;50.34,-17.92,;51.67,-27.93,;47.67,-30.23,;47.67,-31.77,;46.34,-32.54,;45.01,-31.77,;45.01,-30.23,;46.34,-29.47,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2Cl)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(38.73,-26.36,;37.4,-27.13,;37.4,-28.67,;36.07,-26.36,;34.73,-27.13,;33.4,-26.36,;33.4,-24.83,;32.07,-24.06,;30.74,-24.83,;29.41,-24.06,;29.41,-22.52,;28.08,-21.75,;26.74,-22.52,;26.74,-24.06,;28.08,-24.83,;25.41,-24.83,;24.08,-24.06,;22.75,-24.83,;22.75,-26.36,;24.08,-27.13,;25.41,-26.36,;26.74,-27.13,;28.08,-20.21,;26.74,-19.44,;26.74,-17.91,;28.08,-17.14,;29.41,-17.91,;29.41,-19.44,;34.73,-24.06,;36.07,-24.83,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2F)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(18.99,-23.22,;17.66,-23.99,;17.66,-25.53,;16.33,-23.22,;14.99,-23.99,;13.66,-23.22,;13.66,-21.68,;12.33,-20.91,;11,-21.68,;9.67,-20.91,;9.67,-19.38,;8.34,-18.61,;7,-19.38,;7,-20.91,;8.34,-21.68,;5.67,-21.68,;4.34,-20.91,;3.01,-21.68,;3.01,-23.22,;4.34,-23.99,;5.67,-23.22,;7,-23.99,;8.34,-17.07,;7,-16.3,;7,-14.76,;8.34,-13.99,;9.67,-14.76,;9.67,-16.3,;14.99,-20.91,;16.33,-21.68,)|
Cc1ccccc1-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:17.21,wD:14.14,(52.34,-4.86,;51,-4.09,;51,-2.55,;49.67,-1.78,;48.33,-2.55,;48.33,-4.09,;49.67,-4.86,;49.67,-6.4,;48.33,-7.17,;48.33,-8.71,;49.67,-9.48,;51,-8.71,;52.33,-9.48,;53.67,-8.71,;55,-9.48,;55,-11.02,;56.33,-11.79,;57.67,-11.02,;57.67,-9.48,;56.33,-8.71,;59,-11.79,;60.33,-11.02,;59,-13.33,;51,-7.17,;46.99,-9.48,;46.99,-11.02,;45.66,-11.79,;44.33,-11.02,;44.33,-9.48,;45.66,-8.71,)|
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(41.33,-10.66,;40,-11.43,;40,-12.97,;38.66,-10.66,;37.33,-11.43,;36,-10.66,;36,-9.13,;34.67,-8.36,;33.33,-9.13,;32,-8.36,;32,-6.82,;30.67,-6.05,;29.33,-6.82,;29.33,-8.36,;30.67,-9.13,;28,-9.13,;28,-10.66,;26.67,-11.43,;25.33,-10.66,;25.33,-9.13,;26.67,-8.36,;30.67,-4.51,;29.33,-3.74,;29.33,-2.2,;30.67,-1.43,;32,-2.2,;32,-3.74,;37.33,-8.36,;38.66,-9.13,)|
COc1ccc(cc1)-c1cc(C)nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:19.23,wD:16.16,(49.52,-52.23,;50.85,-53,;52.19,-52.23,;53.52,-53,;54.85,-52.23,;54.85,-50.69,;53.52,-49.92,;52.19,-50.69,;56.19,-49.92,;56.19,-48.38,;57.53,-47.61,;57.53,-46.07,;58.85,-48.38,;58.85,-49.92,;60.19,-50.69,;61.53,-49.92,;62.86,-50.69,;62.86,-52.23,;64.19,-53,;65.53,-52.23,;65.53,-50.69,;64.19,-49.92,;66.86,-53,;68.19,-52.23,;66.86,-54.54,;57.53,-50.69,)|
Cc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccc(F)cc1 |r,wU:11.14,wD:8.7,(8.6,-.73,;8.6,-2.27,;7.27,-3.04,;7.27,-4.58,;8.6,-5.35,;9.94,-4.58,;11.28,-5.35,;12.61,-4.58,;13.94,-5.35,;13.94,-6.89,;15.28,-7.66,;16.61,-6.89,;16.61,-5.35,;15.28,-4.58,;17.94,-7.66,;19.28,-6.89,;17.94,-9.2,;9.94,-3.04,;5.94,-5.35,;5.94,-6.89,;4.61,-7.66,;3.27,-6.89,;1.94,-7.66,;3.27,-5.35,;4.61,-4.58,)|
Cc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccc(Cl)cc1 |r,wU:11.14,wD:8.7,(44.91,-50.88,;44.91,-52.42,;43.58,-53.19,;43.58,-54.73,;44.91,-55.5,;46.24,-54.73,;47.58,-55.5,;48.91,-54.73,;50.24,-55.5,;50.24,-57.04,;51.58,-57.81,;52.91,-57.04,;52.91,-55.5,;51.58,-54.73,;54.24,-57.81,;55.58,-57.04,;54.24,-59.35,;46.24,-53.19,;42.24,-55.5,;42.24,-57.04,;40.9,-57.81,;39.58,-57.04,;38.24,-57.81,;39.58,-55.5,;40.9,-54.73,)|
Cc1ccc(cc1)-c1cc(C)nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:18.22,wD:15.15,(46.28,-10.77,;45.52,-12.1,;46.3,-13.44,;45.54,-14.78,;44,-14.78,;43.21,-13.46,;43.97,-12.12,;43.23,-16.13,;41.69,-16.13,;40.92,-17.46,;39.38,-17.46,;41.69,-18.79,;43.23,-18.79,;44,-20.12,;43.23,-21.45,;44,-22.79,;43.23,-24.12,;44,-25.46,;45.54,-25.46,;46.31,-24.12,;45.54,-22.79,;46.31,-26.79,;45.54,-28.13,;47.85,-26.79,;44,-17.46,)|
COc1cccc(c1)-c1cc(C)nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:19.23,wD:16.16,(7.31,-56.38,;8.64,-55.61,;8.64,-54.08,;7.31,-53.31,;7.31,-51.77,;8.64,-51,;9.97,-51.77,;9.97,-53.31,;11.3,-51,;11.3,-49.46,;12.64,-48.69,;12.64,-47.15,;13.97,-49.46,;13.97,-51,;15.3,-51.77,;16.64,-51,;17.97,-51.77,;17.97,-53.31,;19.3,-54.08,;20.64,-53.31,;20.64,-51.77,;19.3,-51,;21.97,-54.08,;23.3,-53.31,;21.97,-55.61,;12.64,-51.77,)|
Cc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1cccc(Cl)c1 |r,wU:11.14,wD:8.7,(60.84,-40.07,;60.84,-41.61,;59.51,-42.38,;59.51,-43.92,;60.84,-44.69,;62.18,-43.92,;63.51,-44.69,;64.84,-43.92,;66.18,-44.69,;66.18,-46.23,;67.51,-47,;68.84,-46.23,;68.84,-44.69,;67.51,-43.92,;70.18,-47,;71.51,-46.23,;70.18,-48.54,;62.18,-42.38,;58.17,-44.69,;56.84,-43.92,;55.51,-44.69,;55.51,-46.23,;56.84,-47,;56.84,-48.54,;58.17,-46.23,)|
Cc1cccc(c1)-c1cc(C)nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:18.22,wD:15.15,(56.29,-41.05,;56.29,-42.59,;57.63,-43.37,;57.63,-44.91,;56.29,-45.68,;54.96,-44.91,;54.96,-43.37,;53.62,-45.68,;53.62,-47.22,;52.3,-47.99,;52.3,-49.53,;50.96,-47.22,;50.96,-45.68,;49.62,-44.91,;48.29,-45.68,;46.96,-44.91,;46.96,-43.37,;45.62,-42.59,;44.29,-43.37,;44.29,-44.91,;45.62,-45.68,;42.96,-42.59,;41.62,-43.37,;42.96,-41.05,;52.3,-44.91,)|
COc1ccccc1-c1cc(C)nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:19.23,wD:16.16,(27.88,-46.99,;27.88,-45.45,;26.55,-44.68,;25.22,-45.45,;23.88,-44.68,;23.88,-43.14,;25.22,-42.37,;26.55,-43.14,;27.88,-42.37,;27.88,-40.83,;29.22,-40.06,;29.22,-38.53,;30.55,-40.83,;30.55,-42.37,;31.88,-43.14,;33.22,-42.37,;34.54,-43.14,;34.54,-44.68,;35.88,-45.45,;37.21,-44.68,;37.21,-43.14,;35.88,-42.37,;38.55,-45.45,;39.88,-44.68,;38.55,-46.99,;29.22,-43.14,)|
Cc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1C |r,wU:11.14,wD:8.7,(13.98,-48.31,;13.98,-46.77,;15.31,-46,;15.31,-44.46,;13.98,-43.69,;12.65,-44.46,;11.31,-43.69,;9.98,-44.46,;8.65,-43.69,;8.65,-42.15,;7.31,-41.37,;5.98,-42.15,;5.98,-43.69,;7.31,-44.46,;4.64,-41.37,;3.31,-42.15,;4.64,-39.83,;12.65,-46,;16.65,-43.69,;17.98,-44.46,;19.31,-43.69,;19.31,-42.15,;17.98,-41.37,;16.65,-42.15,;15.31,-41.38,)|
OC(=O)[C@H]1CC[C@H](CNc2nccc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(39.47,-32.46,;40.8,-31.69,;40.8,-30.15,;42.14,-32.46,;43.47,-31.69,;44.8,-32.46,;44.8,-34,;46.14,-34.77,;47.47,-34,;48.81,-34.77,;48.81,-36.31,;50.14,-37.08,;51.47,-36.31,;51.47,-34.77,;50.14,-34,;52.81,-34,;52.81,-32.46,;54.13,-31.69,;55.47,-32.46,;55.47,-34,;54.13,-34.77,;43.47,-34.77,;42.14,-34,)|
Cc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:11.14,wD:8.7,(33.52,-28.33,;33.52,-29.87,;34.85,-30.64,;34.85,-32.18,;33.52,-32.95,;32.19,-32.18,;30.85,-32.95,;29.52,-32.18,;28.19,-32.95,;26.85,-32.18,;25.51,-32.95,;25.51,-34.49,;26.85,-35.26,;28.19,-34.49,;24.19,-35.26,;22.85,-34.49,;24.19,-36.8,;32.19,-30.64,;36.19,-32.95,;37.52,-32.18,;38.85,-32.95,;38.85,-34.49,;37.52,-35.26,;36.19,-34.49,)|
Cc1cc(nc(NCc2cccc(c2)C(O)=O)n1)-c1ccccc1
Cc1cc(nc(NCc2ccc(cc2)C(O)=O)n1)-c1ccccc1
Cc1cc(nc(n1)S(=O)(=O)Cc1ccc(cc1)C(O)=O)-c1ccccc1
Cc1cc(nc(SCCC(O)=O)n1)-c1ccccc1
Cc1cc(nc(Sc2ccc(cc2)C(O)=O)n1)-c1ccccc1
Cc1cc(nc(SCCc2ccc(cc2)C(O)=O)n1)-c1ccccc1
Cc1cc(nc(SCc2ccccc2)n1)-c1ccccc1
Cc1cc(nc(SCc2ccc(cc2)C(=O)NS(=O)(=O)C(F)(F)F)n1)-c1ccccc1
Cc1cc(nc(SCc2ccc(cc2)C(O)=O)n1)-c1ccccc1
CCC\C=C\C=C\[C@@H]1C=C[C@@H](O)[C@H](O)C11C(=O)OC(=C)C1=O |r,c:8|