4848 SMILES Strings for Tyrosine-protein phosphatase non-receptor type 11

Compound Name
SMILES String
Oc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
COc1cc(\C=C2\S\C(NC2=O)=N\c2nccs2)ccc1O
COc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
[O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
[O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1
Clc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
Clc1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1
Clc1ccccc1\C=C1\S\C(NC1=O)=N\c1nccs1
COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)-c2ccccc2)ccc1O
COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)C23CC4CC(CC(C4)C2)C3)ccc1O |TLB:21:22:26:20.25.19,THB:21:20:26:22.27.23,23:24:22.21.27:19,23:22:24.25.26:19|
COc1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc(OC)c1O
COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccc(cc3s2)[N+]([O-])=O)cc(OC)c1O
[O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
[O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)c1
COc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
COc1cc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)ccc1O
Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O
O=C(NCCCn1ccnc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
COc1ccc(OC)c(c1)-n1c(O)c2o[nH]c(-c3ccccc3Cl)c2c1=O |(3.08,-4.13,;4.62,-4.13,;5.39,-2.79,;4.62,-1.46,;5.39,-.13,;6.93,-.13,;7.7,1.21,;6.93,2.54,;7.7,-1.46,;6.93,-2.79,;9.24,-1.46,;10.15,-2.71,;9.67,-4.17,;11.61,-2.23,;13.07,-2.7,;13.97,-1.46,;13.07,-.22,;13.55,1.24,;12.52,2.39,;13,3.85,;14.5,4.17,;15.53,3.02,;15.05,1.56,;16.08,.41,;11.61,-.69,;10.15,-.21,;9.67,1.25,)|
Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
CN(C)c1ccc(cc1)C(=O)OCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Cn1cc(CC(=O)Nc2cccc(c2)C#N)c2ccccc12
Cc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1
OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
CCOC(=O)c1c(C)c(sc1NC(=O)OC)C(=O)N(CC)CC
CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1
CCc1c(C)[nH]n(-c2ccc(Oc3ccccc3)c(c2)S(O)(=O)=O)c1=O
OC(=O)C1=C(CSC2C(NC(=O)Cc3ccccc3)C(=O)N12)C=C |t:3|
CCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
CCN1CCN(CC1)C(=S)c1ccc(Cl)cc1
Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
CCc1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1
CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC
Cc1c(C)c2ccccc2n1C(=O)CSc1nc2ccccc2[nH]1
OC(=O)CC[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCC1)c1cccs1
COc1cc(ccc1O)C(=S)N1CCCCC1
Oc1ccc2oc(=O)c(cc2c1)-c1nn(cc1C=O)-c1ccccc1
Cc1nn(C)cc1C=NNC(=S)Nc1ccccc1 |w:8.9|
COc1ccc(cc1Cl)-n1nc(C(=O)NCC(=O)Nc2ccccn2)c2ccccc2c1=O
S=C(N1CCCC1)c1cn(CCOc2ccccc2)c2ccccc12
Brc1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1
CCN1CCN(CC1)C(=S)c1ccc(Br)cc1
OCCN1CCN(CC1)C(=S)c1ccc(Br)cc1
COc1cccc(c1)-c1cc(C(=O)Nc2nc3ccccc3s2)c2ccccc2n1
Fc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2cccs2)cc1
[O-][N+](=O)c1cccc(c1)C(=[NH2+])[N-]OC(=O)c1cccc2ccccc12
COc1ccc(CN=Nc2nc(O)c(CC(O)=O)s2)cc1OCc1ccc(Cl)cc1Cl |w:8.8|
CCCCC(=O)Nc1ccc(cc1)C(=O)NNC(=O)c1ccc(C)c(Br)c1
CCOc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cc(ccc1Cl)-c1nc2ccccc2[nH]1
CN1CCN(CC1)C(=S)c1ccc(Br)cc1
CCC(CC)c1nnc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)s1
Brc1ccc(C=Nn2c(n[nH]c2=S)-c2cccnc2)s1 |w:6.6|
O=C(CCc1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
COc1ccc(Cl)cc1NC(=S)N(CCCN1CCOCC1)Cc1cn(C)c2ccccc12
COc1cc(Cl)ccc1NC(=S)N(CCCN1CCOCC1)Cc1cn(C)c2ccccc12
COCCN(C(C)c1cccnc1)C(=S)Nc1c(C)cc(C)cc1C
COc1ccc(NC(=S)N2CCC(CC2)N(C)CC2CCCO2)cc1Cl
Cc1ccc(cc1)-c1nc(NC(=O)CSc2cc(C)c3ccccc3n2)ns1
COc1ccccc1Nc1ccc(cc1N)[N+]([O-])=O
CC(C)CC(=O)Nc1cc(ccc1C)-c1nc2ncccc2o1
[O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc(Br)s1
Clc1ccc(s1)C(=O)Oc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1
CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(C)c(=O)c12)[N+]([O-])=O
Cc1ccc(Cn2cc(C=O)c(n2)-c2ccc(C)cc2)cc1
COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NCCN2CCOCC2)ccc1N1CCOCC1
Brc1ccc(o1)C(=O)N\N=C\c1ccc(Br)cc1
O=C(N\N=C\c1coc2ccccc2c1=O)c1cc2ccccc2o1
CC(C)OCCCNC(=S)Nc1ccc(cc1)S(N)(=O)=O
[O-][N+](=O)c1cc(\C=N\NC(=O)c2ccc3OCCOc3c2)ccc1Cl
Clc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)N\N=C\c2ccncc2)cc1
Oc1ccccc1C(=O)N\N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1
CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
COCCCN(C(C)c1ccccn1)C(=S)Nc1c(C)cc(C)cc1C
COc1ccc(NC(=S)N(CCCN2CCC(C)CC2)Cc2cccs2)cc1Cl
CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1
NC(NC(=O)c1ccccc1)=NCc1ccc2OCOc2c1 |w:11.12|
Oc1ccc(cc1)C(=O)N\N=C\c1ccc(OCC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C1=NC(=S)NC(C1)c1ccc2OCOc2c1 |t:16,TLB:8:1:12:6.9.5,THB:2:1:9:3.12.5,2:3:9:1.11.8|
OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1)-c1nc2ccccc2s1
CCOc1ccc(cc1)C(=S)N1CCN(C)CC1
COc1cc(NC(=S)N2CCN(C)CC2)c(OC)cc1Cl
Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
CCCCN(CC)Cc1ccc(CNC(=S)Nc2c(C)cc(C)cc2C)o1
Cc1ccccc1N1CCN(CC1)C(=S)c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(=O)OC(C)C(=O)Nc1ccc2OCCOc2c1
CCN1CCN(CC1)C(=S)c1ccc(O)cc1
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)c1C
CN1CCN(CC1)C(=S)Nc1ccc(cc1)S(N)(=O)=O
CCN1CCN(CC1)C(=S)c1ccc(OCC(=O)NCc2ccccc2)cc1
COc1ccc(NC(=S)NCCN2CCC(C)CC2)cc1Cl
CN1CCN(CC1)C(=S)C(=O)Nc1ccc(Br)cc1
NS(=O)(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1
O=C(NC1CCCCCC1)C(=S)NC1CCCCC1
CN(C)c1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1
NC(=O)C1(CCN(CC1)C(=S)Nc1ccc(cc1)S(N)(=O)=O)N1CCCCC1
COc1cc(\C=C2\C(=O)NN(C2=O)c2cccc(C)c2)cc(c1O)[N+]([O-])=O
CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccc(Cl)cc1Cl |w:8.8|
Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O
COC(=O)Nc1sc2CC(C)CCc2c1C(N)=O
Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
[O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccc(Br)cc2)c1
COc1ccc(NC(=S)NCCCN2CCCC2)cc1Cl
CC(=O)N1CCC(CC1)N(CCN1CCOCC1)C(=S)Nc1ccc(C)cc1
CN1CCC2(CC1)NC(=S)C(=N2)c1ccc(F)cc1 |c:11|
CN(C)CCN(Cc1cccs1)C(=S)Nc1ccc(C)cc1C
[NH-]S(=O)(=O)c1ccccc1
COc1ccc2cc3c(N)nn(C(=O)c4cccc(F)c4)c3nc2c1
OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)Nc1ccc(Oc2ccccc2)cc1
CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)Nc1cc(Cl)ccc1C
S=C(NCCCN1CCOCC1)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Clc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=S)NCCN3CCOCC3)c2)cc1
Cc1ccc(s1)C(=S)N1CCN(Cc2ccccc2)CC1
S=[#6]-1-[#7]-[#6](-[#6]-2-[#6]-[#6]-[#6]\[#6](=[#6]-3/[#16]-[#6]-[#6]-[#16]-3)-[#6]-2=[#7]-1)-c1ccccc1 |c:16|
Oc1cc(=O)[nH]c(NC#N)n1
Cc1nnc2sc(nn12)-c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2Cl)cc1
[O-][N+](=O)c1ccc(OCC(=O)Nc2nnc(s2)-c2cccnc2)cc1
O=C1Nc2ccc3sc4ccccc4c3c2C1=O
Fc1ccc(C=NNC(=O)c2cc(n[nH]2)-c2ccc3OCOc3c2)cc1 |w:6.6|
Clc1cccc(Cl)c1NC(=S)NCCc1ccccc1
Brc1ccc(cc1)C(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
CC(C)OC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
Clc1ccc(Cl)c(c1)-c1nc(no1)-c1ccncc1
Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3ccc(OCC(O)=O)c(Br)c3)C2=O)cc1
O=S(=O)(Nc1ccccc1)c1cccc2nsnc12
CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Oc2ccc(C(O)=O)c(c2)C(O)=O)c1
Oc1ccc(cc1NC(=O)c1cccc(c1)C(=O)Nc1cc(ccc1O)[N+]([O-])=O)[N+]([O-])=O
COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1Cl
COc1cc(\C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccccc1
CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
OCCCN1C(C(C(=O)c2ccc(Br)cc2)C(=O)C1=O)c1ccc(Br)cc1
Cc1c(OCc2ccccc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
COc1cccc(c1)N1[C@@H](CC(O)=O)c2ccc(\C=C\C(O)=O)cc2S1(=O)=O
CCOc1ccc(\C=N\NC(=O)c2cc3c(OC)cccc3[nH]2)cc1
CCOC(=O)CN1C(=O)S\C(=C\c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O
Cc1c(CC(=O)NCCCCCC(O)=O)c(=O)oc2c(C)c3oc4CCCCc4c3cc12
Cc1c(CC(O)=O)c(=O)oc2c(C)c(OCc3ccccc3Br)ccc12
Cc1c(OCc2ccc(F)cc2Cl)ccc2c(C)c(CC(O)=O)c(=O)oc12
NS(=O)(=O)c1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1
Cc1ccc(NC(=O)CCn2c3ccccc3oc2=S)cc1F
COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
COC(=O)c1ccccc1CSc1nsc(\C=C\N(C)C)c1C#N
NC(=O)c1cc2ccccc2o\c1=N/NC(=O)c1ccccc1O
Brc1cccc(c1)N1NC(=O)\C(=C\c2ccc(cc2)N2CCOCC2)C1=O
Cc1ccc(cc1)S(=O)(=O)c1cnc2ccc(Cl)cc2c1O
OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 |w:14.14|
C[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1
Clc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N\N=C\c1cccnc1
CCOC(=O)CC(NS(=O)(=O)c1ccc2ncc(C(O)=O)c(O)c2c1)c1ccc(OCC)c(OC)c1
CC(=O)N1CCOc2ccc(cc12)S(=O)(=O)NCc1ccc(F)cc1
Brc1cccc(\C=N\NC(=O)c2ccc(cc2)N2CCCC2=O)c1
[O-][N+](=O)c1ccc(NC(=O)COc2ccc([CH+][N-]NC(=O)c3ccncc3)cc2)cc1
CCOc1ccc(CCNC(=O)CS(=O)(=O)Cc2nc(oc2C)-c2ccc(OC)cc2)cc1
Cc1ccc(NC(=O)c2ccc3nc(sc3c2)N2CCOCC2)c(Cl)c1
COc1cc(\C=C2\SC(=S)N(CC(O)=O)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1
Cc1c(C)c(=O)oc2c(C)c(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
CC(N1C(=S)S\C(=C\c2cccs2)C1=O)C(=O)Nc1ccc(O)cc1C(O)=O
CC(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-n1cnnn1
CC(=NNC(=O)c1ccccc1O)c1ccc(NC(=O)Cc2ccccc2)cc1 |w:2.2|
Oc1cc(O)cc(c1)C(=O)N\N=C\c1ccoc1
Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O |w:9.9|
CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
COc1ccc(nn1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1
CCCN(CC(=O)Nc1ccccc1OC)C(=O)Cc1ccc2CCCc2c1
CC(SCc1nc2sc(C)c(C)c2c(=O)[nH]1)C(=O)Nc1ccc(Cl)cn1
OC(=O)C(S)C(S)C(O)=O
CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
COc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1
CSc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:8.8|
Clc1ccc(cc1)-n1cnc2c1nc[nH]c2=S
Nc1ccc2c(O)cc(cc2c1)S(O)(=O)=O
Oc1cc(cc2ccc(Nc3ccccc3)cc12)S(O)(=O)=O
Oc1ccccc1C=NNC(=O)NN=Cc1ccccc1O |w:8.9,13.13|
[O-][N+](=O)c1cccc(c1)C(=O)N\[NH+]=C\[c-]1ccccc1=O
CC(=NNC(=S)N1CC2CCC(CC2)C1)c1cccc(C)n1
OC(=O)Cc1cccc(=O)c(O)c1C(O)=O
CC1C(=O)C(=O)C(C(=O)C1=O)=c1c(O)c(O)c(=C)c(O)c1O |(6.57,5.39,;6.57,3.85,;7.91,3.08,;9.24,3.85,;7.91,1.54,;9.24,.77,;6.57,.77,;5.24,1.54,;3.91,.77,;5.24,3.08,;3.91,3.85,;6.57,-.77,;5.24,-1.54,;3.91,-.77,;5.24,-3.08,;3.91,-3.85,;6.57,-3.85,;6.57,-5.39,;7.91,-3.08,;9.24,-3.85,;7.91,-1.54,;9.24,-.77,)|
[#7]\[#7]=[#6]-1\[#6](Cl)=[#6](Cl)-[#6](Cl)=[#6]-1Cl |c:8,t:4|
Cc1ccc(cc1NC(=O)c1ccc(=O)[nH]c1)S(=O)(=O)N1CCCCC1
COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9|
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc2c1c(=O)[nH][nH]c2=O
OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)CCC(O)=O
OC(CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
CC1Cc2cc(ccc2N1C(=O)CCC(O)=O)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
OC(=O)\C=C\C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Clc1cccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)c1
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)Nc1ccccc1Cl
CC(C)c1ccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccccc1
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)Nc1ccc(Cl)c(Cl)c1
OC(=O)CCCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
COc1ccc(cc1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Clc1ccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CCCC1
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1cccc(Cl)c1
OC(=O)CNC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
CC(C)CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
CCC(C)C(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
COc1cccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)c1
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1cc(Cl)cc(Cl)c1
Clc1ccc(CC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1ccc(Cl)cc1Cl
CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(C)c1
OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1
Fc1ccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
CC(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CC1
OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CCOC(=O)C(CC(C)C)NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1
COc1cccc(c1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1ccccc1
CC(C)C(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1ccc(Cl)c(Cl)c1
Fc1cccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)c1
CCOC(=O)C(C)NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
FC(F)(F)c1ccccc1NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
OC(=O)C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Clc1ccc(cc1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
CCCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
OC(=O)CCNC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
CCOC(=O)C(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(C)C
CC(C)CC(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
Fc1ccccc1NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
COc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)Nc1ccccc1
CCOC(=O)CCNC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
CCOC(=O)C(Cc1ccccc1)NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
CCC(C)C(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(=O)OC
OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
OC(=O)c1cccc(NC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2CCN(CC2)c2cccc(Cl)c2)c1
OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(F)c1
OC(=O)c1ccccc1NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
OC(=O)C1CC=CCC1C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1 |c:5|
COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)CCC(O)=O
OC(=O)C(Cc1ccccc1)NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
COC(=O)c1ccccc1NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Cc1ccc(cc1Cl)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)CCC(O)=O
COCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)Cc1ccccc1
CC1Cc2cc(ccc2N1C(=O)C(F)(F)F)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
OC(=O)CCC(=O)N1CCCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccccc1F
OC(=O)CCC(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(O)=O
CCOC(=O)CNC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1Cl
CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(=O)C(O)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
OC(=O)C(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1
O=C(Nc1ccc(cc1)-c1ccc(NC(=O)c2ccco2)cc1)c1ccco1
Fc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)c2ccc(F)cc2)cn1
[O-][V](=O)([O-])[O-]
CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=C[C@H]2CCCCCCCCCCCC)C(O)=O |r,c:27|
CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=CC2CCCCCCCCCCCC)C(O)=O |r,c:27|
[OH2+][V]12([OH2+])(=O)OC(=O)c3ccccc3[N]1=Cc1cc(Br)ccc1O2 |c:15|
[OH2+][V]12([OH2+])(=O)OC(=O)c3ccccc3[N]1=Cc1cc(ccc1O2)[N+]([O-])=O |c:15|
Clc1ccc2O[V]3(=O)(Oc4ccc(Cl)cc4C=[N]3c3ccccc3)[N](=Cc2c1)c1ccccc1 |c:17,27|
Brc1ccc2O[V]3(=O)(Oc4ccc(Br)cc4C=[N]3c3ccccc3)[N](=Cc2c1)c1ccccc1 |c:17,27|
[O-][N+](=O)c1ccc2O[V]3(=O)(Oc4ccc(cc4C=[N]3c3ccccc3)[N+]([O-])=O)[N](=Cc2c1)c1ccccc1 |c:18,31|
Nc1nc(Cl)c2[nH]cnc2n1
Nc1nc(Cl)c2ncn(CC#C)c2n1
Clc1nc(NCC#C)nc2n(CC#C)cnc12
CC(=O)OC[C@H]1O[C@@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(Cn2cnc3c(Cl)nc(N)nc23)nn1
CC(=O)OC[C@H]1O[C@@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNc2nc(Cl)c3ncn(Cc4cn(nn4)[C@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)c3n2)nn1
CO[C@H]1O[C@H](Cn2cc(Cn3cnc4c(Cl)nc(N)nc34)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
CO[C@H]1O[C@H](Cn2cc(Cn3cnc4c(Cl)nc(N)nc34)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
CO[C@H]1O[C@H](Cn2cc(Cn3cnc4c(OC)nc(N)nc34)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
CO[C@H]1O[C@H](Cn2cc(Cn3cnc4c(OC)nc(N)nc34)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
CO[C@H]1O[C@H](Cn2cc(CNc3nc(Cl)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
CO[C@H]1O[C@H](Cn2cc(CNc3nc(Cl)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
CO[C@H]1O[C@H](Cn2cc(CNc3nc(OC)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
CO[C@H]1O[C@H](Cn2cc(CNc3nc(OC)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Oc1c(cc(c2cccnc12)S(O)(=O)=O)N=Nc1ccc2cc(ccc2c1)S(O)(=O)=O |w:16.18|
COC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
NS(=O)(=O)c1ccc(NC(=O)c2ccc3cc(ccc3c2)C(O)=O)cc1
COC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1c(O)cccc1C(O)=O
OC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1c(O)cccc1C(O)=O
COC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)C(O)=O
OC(=O)c1ccc(NC(=O)c2ccc3cc(ccc3c2)C(O)=O)cc1
CCOC(=O)c1cccc(NC(=O)c2ccc3cc(ccc3c2)C(=O)OC)c1
OC(=O)c1cccc(NC(=O)c2ccc3cc(ccc3c2)C(O)=O)c1
OC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1cccc(c1)S(O)(=O)=O
COC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)OC
OC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
OC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3C(O)=O)c2c1
Cc1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(O)(=O)=O
CCc1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(O)(=O)=O
OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3F)c2c1
OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3C(F)(F)F)c2c1
OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3)c2c1
OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3c(F)c(F)c(F)c(F)c3F)c2c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3C(O)=O)c2c1
OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3c(Cl)cccc3Cl)c2c1
OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(Cl)cc3Cl)c2c1
OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3cc(Cl)ccc3Cl)c2c1
OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3cccc4ccccc34)c2c1
OC(=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(O)(=O)=O
OC(=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccc(Cl)cc1
NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
CN(C)S(=O)(=O)c1ccc2N(C)C(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
CCN1C(=O)\C(=N/Nc2ccccc2[N+]([O-])=O)c2cc(ccc12)S(=O)(=O)N(C)C
CN(C)S(=O)(=O)c1ccc2N(Cc3ccccc3)C(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
[O-][N+](=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCOCC1
CN(C)CCNS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
CCCNS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
COCCNS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
CCC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
[O-][N+](=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCC1CCCO1
[O-][N+](=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccco1
[O-][N+](=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1cccs1
COc1cccc(CNS(=O)(=O)c2ccc3NC(=O)\C(=N/Nc4ccccc4[N+]([O-])=O)c3c2)c1
COc1ccc(CNS(=O)(=O)c2ccc3NC(=O)\C(=N/Nc4ccccc4[N+]([O-])=O)c3c2)cc1
CN(Cc1ccccc1)S(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
[O-][N+](=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccncc1
[O-][N+](=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccccn1
[O-][N+](=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccc(Cl)cc1
CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3Cl)c2c1
NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3Cl)c2c1
COc1ccc(CNS(=O)(=O)c2ccc3NC(=O)\C(=N/Nc4ccccc4Cl)c3c2)cc1
Clc1ccc(CNS(=O)(=O)c2ccc3NC(=O)\C(=N/Nc4ccccc4Cl)c3c2)cc1
COc1cccc(CNS(=O)(=O)c2ccc3NC(=O)\C(=N/Nc4ccccc4Cl)c3c2)c1
Clc1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1cccs1
Clc1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccccn1
Clc1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCN1CCOCC1
CCCNS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3Cl)c2c1
CC(C)CNS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3Cl)c2c1
Clc1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccco1
COCCNS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3Cl)c2c1
CCC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3Cl)c2c1
Clc1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCC1CCCO1
Clc1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccncc1
CN(Cc1ccccc1)S(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3Cl)c2c1
Clc1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1cccnc1
[O-][N+](=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1cccnc1
[O-][N+](=O)c1ccccc1N\N=C1/C(=O)Nc2ccccc12
Clc1ccccc1N\N=C1/C(=O)Nc2ccccc12
O=c2[nH]c1ccccc1c2=NNc3cccc([N+](=O)[O-])c3
OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3Cl)c2c1
O=c2[nH]c1ccc(S(=O)(=O)O)cc1c2=NNc3cccc([N+](=O)[O-])c3
OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3nc4ccccc4s3)c2c1
Oc1c(Br)cc2c(Oc3c(O)c(O)c(Br)cc3C22OS(=O)(=O)c3ccccc23)c1O
Oc1ccc2c(Oc3c(O)c(O)ccc3C22OS(=O)(=O)c3ccccc23)c1O
OC1=CC2=C3c4ccc(O)c(O)c4OCC3(O)CC2=CC1=O |c:3,21,t:1|
OOOSc1ccc2cc(ccc2c1)\N=N/c1cc(c2cccnc2c1O)S(O)(=O)=O
OC(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3C(O)=O)c2c1
OC(=O)c1ccc2NC(=O)\C(=N/Nc3cccc(c3)C(O)=O)c2c1
OC(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
CCN(CC)C(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3C(O)=O)c2c1
CCN(CC)C(=O)c1ccc2NC(=O)\C(=N/Nc3cccc(c3)C(O)=O)c2c1
CCN(CC)C(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
OC(=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)C(=O)NCc1ccc(Cl)cc1
OC(=O)c1cccc(N\N=C2/C(=O)Nc3ccc(cc23)C(=O)NCc2ccc(Cl)cc2)c1
CC(C)NC(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3C(O)=O)c2c1
CC(C)NC(=O)c1ccc2NC(=O)\C(=N/Nc3cccc(c3)C(O)=O)c2c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3)c2c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3C(N)=O)c2c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3C(=O)NCCN(C)C)c2c1
COCCNC(=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NC(C)C
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3C(=O)NCc3ccccc3)c2c1
CCOC(=O)c1ccc(N\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NC(C)C)cc1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3C(=O)NCc3cccnc3)c2c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3C(=O)NCc3ccco3)c2c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3C(=O)NCCN3CCOCC3)c2c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3C(=O)N(C)C)c2c1
CNC(=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NC(C)C
CCNC(=O)c1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NC(C)C
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3cccc(c3)C(O)=O)c2c1
CCOC(=O)c1cccc(N\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NC(C)C)c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=C/Nc3ccccc3N(=O)=O)c2c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=C/Nc3cccc(c3)C(O)=O)c2c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=C/Nc3ccc(cc3)C(O)=O)c2c1
Clc1ccc(CNS(=O)(=O)c2ccc3NC(=O)Cc3c2)cc1
Clc1ccc(CNS(=O)(=O)c2ccc3NC(=O)\C(=C/Nc4ccccc4N(=O)=O)c3c2)cc1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3cccc(c3)C(N)=O)c2c1
COCCNC(=O)c1cccc(N\N=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NC(C)C)c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3cccc(c3)C(=O)NCc3ccccc3)c2c1
CNC(=O)c1cccc(N\N=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NC(C)C)c1
CCNC(=O)c1cccc(N\N=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NC(C)C)c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3cccc(c3)C(=O)NCc3cccnc3)c2c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3cccc(c3)C(=O)NCc3ccco3)c2c1
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3cccc(c3)C(=O)NCCN3CCOCC3)c2c1
COC(=O)c1ccccc1N\C=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NC(C)C
CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=C/Nc3ccccc3C(O)=O)c2c1
COC(=O)c1ccccc1\C=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)NC(C)C
OC(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3Cl)c2c1
CCc1ccccc1N\N=C1/C(=O)Nc2ccc(cc12)C(O)=O
OC(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3)c2c1
OC(=O)c1ccc2[nH]cc(C(=O)c3cccc4ccccc34)c2c1
COC(=O)c1ccc2[nH]cc(C(=O)c3cccc4ccccc34)c2c1
OC(=O)c1ccc2[nH]cc(C(=O)c3ccccc3)c2c1
COC(=O)c1ccc2[nH]cc(C(=O)c3ccccc3)c2c1
OC(=O)c1ccc2OC(=O)\C(=N/Nc3ccccc3F)c2c1
OC(=O)\C=C/C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
CCOc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)C(CCS([O-])(=O)=O)C3=O)c3ccccc23)cc1
C(NC1COC2C1OC[C@@H]2n1nnnc1-c1cccc(CN2CCCC2)c1)C1CCCCC1 |r|
CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)COC1CC(C)CCC1C(C)C)C(N)=O
N/N=C(N)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O
COc1cc(CC(=O)NCC(NC(=O)C(CCCNC(=O)c2cccc(I)c2)NC(=O)C(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)NC(=O)c2ccc(C)c(Br)c2)C(N)=O)ccc1O
Oc1cc(cc2c(cccc12)\N=N\c1cccc2c(O)cc(cc12)S(O)(=O)=O)S(O)(=O)=O
CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
CC1(N)CCN(CC1)c1cnc(cn1)-c1cccc(Cl)c1Cl
Cc1cccc(c1Cl)-c1cnc(nc1N)N1CCC(C)(N)CC1
CC1(N)CCN(CC1)c1ncc(-c2ccc(Cl)s2)c(N)n1
Cc1ccc(s1)-c1cnc(nc1N)N1CCC(C)(N)CC1
COc1cc(Cl)c(Cl)c(c1)-c1cnc(nc1N)N1CCC(C)(N)CC1
CC1(CN)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
NCC1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Nc1nc(cnc1-c1cccc(Cl)c1Cl)N1CCC2NCCC2C1
C[C@@]1(CN)CCN(C[C@@H]1O)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1ccccc1
NC1C2CN(CC12)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
NC[C@H]1CCN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r|
CCCC1(CN)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
C[C@@]1(N)CCN(C[C@H]1O)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1ccncc1
NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1cnccn1
NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1ccccn1
Nc1nc(cnc1-c1cccc(Cl)c1Cl)N1CC2CNCC12
Nc1nc(cnc1-c1cccc(Cl)c1Cl)N1CC2CNCC2C1
CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc2cc[nH]c12
CC1(N)CCN(CC1)c1cnc(C2=CCCCC2)c(N)n1 |t:13|
CC1(N)CCN(CC1)c1cnc(Sc2ccccc2C(F)(F)F)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2cc(O)ccc2Cl)c(N)n1
COc1cccc(Sc2ncc(nc2N)N2CCC(C)(N)CC2)c1Cl
CC1(N)CCN(CC1)c1cnc(Sc2cccc(N=[N+]=[N-])c2Cl)c(N)n1
COc1ccccc1C(=O)Nc1cccc(Sc2ncc(nc2N)N2CCC(C)(N)CC2)c1Cl
CC1(N)CCN(CC1)c1nnc(Sc2cccc(Cl)c2Cl)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
NCC1(CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1)c1cccnc1
CC1(CN)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
CC1(CN)CCN(CC1)c1nc(N)c(Sc2cccc(Cl)c2Cl)nc1C#N
NCC1(CCN(CC1)c1nc(N)c(Sc2cccnc2C(F)(F)F)nc1C(N)=O)c1ccccn1
CC1(N)CCN(CC1)c1cnc(Sc2ccncc2Cl)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2ccc(cc2Cl)-c2nn[nH]n2)c(N)n1
CC1(CN)CCN(CC1)c1cnc(Sc2cccnc2Cl)c(N)n1
NCC1(CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1)c1cscn1
C[C@H](N)C1(C)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
CC1(CN)CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
CC1(CN)CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1
NCC1(F)CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
Nc1nc(cnc1Sc1ccnc(Cl)c1Cl)N1CCC(N)(CO)CC1
Nc1nc(cnc1Sc1cccnc1C(F)(F)F)N1CCC(N)(CC1)c1ccccc1
CC1(N)CCN(CC1)c1cnc(Sc2ccccc2Cl)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2cc(Cl)ccc2Cl)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2ccc(Cl)cc2Cl)c(N)n1
COc1ccc(Cl)c(Sc2ncc(nc2N)N2CCC(C)(N)CC2)c1
CC1(N)CCN(CC1)c1cnc(Oc2cccc(Cl)c2Cl)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3ccc4ccccc4c3)c2Cl)c(N)n1
CC1(N)CCN(CC1)c1nnc(Sc2ccccc2Cl)c(N)n1
CC1(CN)CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2cccc(N)c2C(F)(F)F)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2ccc(Br)cc2Cl)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2ccc(F)cc2Cl)c(N)n1
C[C@@]1(N)CCN(C[C@H]1O)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 |r|
C[C@@]1(N)CCN(C[C@@H]1O)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 |r|
CC1(N)CCN(CC1)c1cnc(Sc2ccc(F)cc2C(F)(F)F)c(N)n1
C[C@]1(CN)CCN(C[C@H]1O)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 |r|
C[C@@]1(CN)CCN(C[C@@H]1O)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 |r|
CC1(N)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
C[C@]1(CN)CCN(C[C@@H]1O)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
C[C@@]1(CN)CCN(C[C@H]1O)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
Nc1cccc(Sc2ncc(nc2N)N2CCC(N)(CO)CC2)c1Cl
CC1(CN)CCN(CC1)c1nc(N)c(Sc2cccnc2C(F)(F)F)nc1C(N)=O
CC1(N)CCN(CC1)c1cnc(Sc2ccnc(c2Cl)C(F)(F)F)c(N)n1
CC1(CN)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)c1
NCC1CCCN(C1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
NCC1(O)CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
CC1(CN)CCN(CC1)c1cnc(Sc2ccncc2F)c(N)n1
CCC1(CN)CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
CCCC1(CN)CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
Nc1nccc(Sc2ncc(nc2N)N2CCC(N)(CO)CC2)c1Cl
Nc1nc(cnc1Sc1cccnc1C(F)(F)F)N1CCC(N)(CO)CC1
CC1(CN)CCN(CC1)c1cnc(Sc2cc(N)nc(Cl)c2Cl)c(N)n1
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N |r|
Cn1c(nc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(N)c3Cl)c(=O)n2C)[C@@H]1N |r|
Cn1c(nc(N)c(Sc2ccnc(N)c2Cl)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2cccc(Cl)c2)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2ccccc2Cl)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2cccnc2C(F)(F)F)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2cccc(N)c2Cl)c1=O)N1CCC(C)(CN)CC1
COc1cccc(Sc2c(N)nc(N3CCC(C)(CN)CC3)n(C)c2=O)c1Cl
Cn1c(nc(N)c(Sc2cccc(c2)C#N)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2cccc(OC(F)(F)F)c2)c1=O)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccc(Cl)c3Cl)c(=O)n2C)[C@@H]1N |r|
Cn1c(nc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC2(CCC[C@H]2N)CC1 |r|
Cn1c(nc(N)c(Sc2cccnc2C(F)(F)F)c1=O)N1CCC2(CCC[C@H]2N)CC1 |r|
Cn1c(cc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC2(COC[C@H]2N)CC1 |r|
Cn1c(nc(N)c(Sc2ccnc(N)c2Cl)c1=O)N1CCC2(COC[C@H]2N)CC1 |r|
Cn1c(nc(N)c(Sc2cccnc2C(F)(F)F)c1=O)N1CCC2(COC[C@H]2N)CC1 |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(Sc2cccnc2C(F)(F)F)c(=O)n1C |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cc(N)nc(Cl)c3Cl)c(=O)n2C)[C@@H]1N |r|
COc1cccc(Sc2c(N)nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1Cl |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(Sc2ccnc(N)c2Cl)c(=O)n1C |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccnc3OC(F)(F)F)c(=O)n2C)[C@@H]1N |r|
COc1nccc(Sc2c(N)nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1Cl |r|
Cn1c(nc(N)c(Sc2cccc3ncccc23)c1=O)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccc(N)c3Cl)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccccc3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccccc3Cl)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(N4CCCC4)c3Cl)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccc(NC4CC4)c3Cl)c(=O)n2C)[C@@H]1N |r|
CCOc1nccc(Sc2c(N)nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccc(N)c3C(F)(F)F)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(C4CC4)c3Cl)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@H](N)C1(F)F |r|
C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3ccnc(N)c3Cl)c(=O)n2C)[C@H](N)C1(F)F |r|
Cn1c(nc(N)c(Sc2cccnc2C(F)(F)F)c1=O)N1CCC2(C[C@H](F)C[C@H]2N)CC1 |r|
Cn1c(nc(N)c(Sc2ccnc(N)c2Cl)c1=O)N1CCC2(C[C@H](F)C[C@H]2N)CC1 |r|
C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3ccnc(N)c3Cl)c(=O)n2C)[C@@H](N)[C@H]1F |r|
C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3ccnc(N)c3Cl)c(=O)n2C)[C@H](N)[C@@H]1F |r|
C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H](N)[C@H]1F |r|
C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@H](N)[C@@H]1F |r|
C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@H](N)[C@H]1F |r|
Cn1c(nc(N)c(Sc2ccnc(N)c2Cl)c1=O)N1CCC2(CC(F)(F)C[C@H]2N)CC1 |r|
Cn1c(nc(N)c(Sc2cccnc2C(F)(F)F)c1=O)N1CCC2(CC(F)(F)C[C@H]2N)CC1 |r|
Cn1c(nc(N)c(Sc2ccccc2Br)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2ccccc2OC(F)(F)F)c1=O)N1CCC(C)(CN)CC1
COc1ccccc1Sc1c(N)nc(N2CCC(C)(CN)CC2)n(C)c1=O
Cn1c(nc(N)c(Sc2ccccc2[N+]([O-])=O)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2ccccc2C(F)(F)F)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2cccc3OC(F)(F)Oc23)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2ccccc2C#N)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2ccccc2O)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2ccc(N)cc2Cl)c1=O)N1CCC(C)(CN)CC1
Cc1ccccc1Sc1c(N)nc(N2CCC(C)(CN)CC2)n(C)c1=O
Cn1c(nc(N)c(Sc2cccc3ccccc23)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2ccc(Cl)cc2Cl)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2cccc3cccnc23)c1=O)N1CCC(C)(CN)CC1
Cn1c(nc(N)c(Sc2ccccc2F)c1=O)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(c3Cl)C(F)(F)F)c(=O)n2C)[C@@H]1N |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(Sc2cccc(N)c2Cl)c(=O)n1C |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccncc3C(F)(F)F)c(=O)n2C)[C@@H]1N |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(Sc2ccnc(N3CCCC3)c2Cl)c(=O)n1C |r|
C[C@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H](N)[C@@H]1C(F)(F)F |r|
C[C@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@H](N)[C@@H]1C(F)(F)F |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(Sc2cccnc2Cl)c(=O)n1C |r|
CC1(CCN(CC1)C2=NC=C(C(=O)N2)Sc3cccnc3C(F)(F)F)CN
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccnc2C(F)(F)F)c(=O)[nH]1 |r|
CC1(CN)CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c(=O)[nH]1
CC1(CN)CCN(CC1)c1ncc(Sc2ccccc2Cl)c(=O)[nH]1
CCOc1nccc(Sc2cnc([nH]c2=O)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccnc3C(F)(F)F)c(=O)[nH]2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c(=O)[nH]2)[C@@H]1N |r|
Cn1c(ncc(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
Cn1c(ncc(Sc2ccccc2Cl)c1=O)N1CCC(C)(CN)CC1
Cn1c(ncc(Sc2cccnc2C(F)(F)F)c1=O)N1CCC(C)(CN)CC1
Cn1c(ncc(Sc2cccc(Cl)c2Cl)c1=O)N1CCC2(COC[C@H]2N)CC1 |r|
CCOc1nccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c(=O)n2C)[C@@H]1N |r|
Cn1c(ncc(Sc2cccc(Cl)c2Cl)c1=O)N1CCC2(CC[C@@H]2N)CC1 |r|
COc1nccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1Cl |r|
COc1cccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(NC4CC4)c3Cl)c(=O)n2C)[C@@H]1N |r|
Cn1c(ncc(Sc2ccccc2C(F)(F)F)c1=O)N1CCC(C)(CN)CC1
Cn1c(ncc(Sc2cccc(Cl)c2Cl)c1=O)N1CCC2(CCC[C@H]2N)CC1 |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1ncc(Sc2cc(N)ncc2Cl)c(=O)n1C |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)nc(Cl)c3Cl)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)c(=O)n2C)[C@@H]1N |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1ncc(Sc2cccnc2C(F)(F)F)c(=O)n1C |r|
Cn1c(ncc(Sc2ccnc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
Cn1c(ccc(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2ccc(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1ccc(Sc2cccc(Cl)c2Cl)c(=O)[nH]1
COc1nccc(Sc2ccc([nH]c2=O)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2ccc(Sc3cccc(Cl)c3Cl)c(=O)[nH]2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(Sc3ccnc(N)c3Cl)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccc(Cl)c(C)c3)c(=O)n2C)[C@@H]1N |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2ccc(C)c(Cl)c2)c(=O)n1C |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2cccc(Cl)c2)c(=O)n1C |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2cccc(F)c2F)c(=O)n1C |r,wD:3.3,1.0,(7.32,3.28,;5.79,3.44,;5.02,4.78,;3.51,4.46,;2.42,5.55,;3.35,2.92,;4.76,2.3,;3.35,1.38,;2.02,.61,;.68,1.38,;.68,2.92,;2.02,3.69,;-.65,.61,;-1.98,1.38,;-3.32,.61,;-4.65,1.38,;-3.32,-.93,;-4.65,-1.7,;-5.99,-.93,;-7.32,-1.7,;-7.32,-3.24,;-5.99,-4.01,;-5.99,-5.55,;-4.65,-3.24,;-3.32,-4.01,;-1.98,-1.7,;-1.98,-3.24,;-.65,-.93,;.68,-1.7,)|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2ccc(F)c(F)c2)c(=O)n1C |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(=O)n1C |r,wD:3.3,1.0,(7.32,3.28,;5.79,3.44,;5.02,4.78,;3.51,4.46,;2.42,5.55,;3.35,2.92,;4.76,2.3,;3.35,1.38,;2.02,.61,;.68,1.38,;.68,2.92,;2.02,3.69,;-.65,.61,;-1.98,1.38,;-3.32,.61,;-4.65,1.38,;-3.32,-.93,;-4.65,-1.7,;-5.99,-.93,;-7.32,-1.7,;-7.32,-3.24,;-5.99,-4.01,;-5.99,-5.55,;-4.65,-3.24,;-3.32,-4.01,;-1.98,-1.7,;-1.98,-3.24,;-.65,-.93,;.68,-1.7,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(SC(F)(F)F)cc3)c(=O)n2C)[C@@H]1N |r|
CC(C)c1ccc(cc1)-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3Cl)c(=O)n2C)[C@@H]1N |r,wD:27.31,1.0,(6.18,5.9,;5.78,4.42,;6.55,3.08,;5.52,1.94,;4.12,2.57,;4.12,1.03,;2.78,.26,;1.45,1.03,;1.45,2.57,;2.78,3.34,;.11,.26,;-1.22,1.03,;-2.55,.26,;-3.89,1.03,;-2.55,-1.28,;-3.89,-2.05,;-5.22,-1.28,;-6.55,-2.05,;-6.55,-3.59,;-5.22,-4.36,;-5.22,-5.9,;-3.89,-3.59,;-2.55,-4.36,;-1.22,-2.05,;-1.22,-3.59,;.11,-1.28,;1.45,-2.05,;4.28,4.1,;3.19,5.19,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(F)c(F)c3)c(=O)n2C)[C@@H]1N |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2ccc(SC(F)(F)F)cc2)c(=O)n1C |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(Cl)cc3)c(=O)n2C)[C@@H]1N |r|
Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CC(F)(F)C[C@H]2N)CC1 |r,wD:26.29,(.7,-1.7,;-.63,-.93,;-.63,.61,;-1.96,1.38,;-3.3,.61,;-4.63,1.38,;-3.3,-.93,;-4.63,-1.7,;-5.96,-.93,;-7.3,-1.7,;-7.3,-3.24,;-5.96,-4.01,;-5.96,-5.55,;-4.63,-3.24,;-3.3,-4.01,;-1.96,-1.7,;-1.96,-3.24,;.7,1.38,;2.04,.61,;3.37,1.38,;3.37,2.92,;4.78,2.3,;5.81,3.44,;6.9,2.35,;7.3,3.84,;5.04,4.78,;3.53,4.46,;2.44,5.55,;2.04,3.69,;.7,2.92,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccccc3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(OC4CC4)cc3)c(=O)n2C)[C@@H]1N |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2ccccc2)c(=O)n1C |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(Cl)c(F)c3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(Oc4ccccc4)cc3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(F)c3F)c(=O)n2C)[C@@H]1N |r,wD:27.31,1.0,(6.18,5.9,;5.78,4.42,;6.55,3.08,;5.52,1.94,;4.12,2.57,;4.12,1.03,;2.78,.26,;1.45,1.03,;1.45,2.57,;2.78,3.34,;.11,.26,;-1.22,1.03,;-2.55,.26,;-3.89,1.03,;-2.55,-1.28,;-3.89,-2.05,;-5.22,-1.28,;-6.55,-2.05,;-6.55,-3.59,;-5.22,-4.36,;-5.22,-5.9,;-3.89,-3.59,;-2.55,-4.36,;-1.22,-2.05,;-1.22,-3.59,;.11,-1.28,;1.45,-2.05,;4.28,4.1,;3.19,5.19,)|
CC[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccccc3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(OC(F)F)cc3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(F)cc3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(OCC4CC4)cc3)c(=O)n2C)[C@@H]1N |r|
Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(C[C@H](C[C@H]2N)C(F)(F)F)CC1 |r,wU:24.27,22.28,(-.08,-1.7,;-1.42,-.93,;-1.42,.61,;-2.75,1.38,;-4.08,.61,;-5.42,1.38,;-4.08,-.93,;-5.42,-1.7,;-6.75,-.93,;-8.08,-1.7,;-8.08,-3.24,;-6.75,-4.01,;-6.75,-5.55,;-5.42,-3.24,;-4.08,-4.01,;-2.75,-1.7,;-2.75,-3.24,;-.08,1.38,;1.25,.61,;2.58,1.38,;2.58,2.92,;2.75,4.46,;4.25,4.78,;5.02,3.44,;3.99,2.3,;1.66,5.55,;4.88,6.18,;5.5,7.59,;6.28,5.56,;3.47,6.81,;1.25,3.69,;-.08,2.92,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(OCc4ccccc4)cc3)c(=O)n2C)[C@@H]1N |r|
Cn1c(nc(N)c(-c2ccccc2)c1=O)N1CCC2(CC(F)(F)C[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(F)c3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccccc3Cl)c(=O)n2C)[C@@H]1N |r,wD:26.30,1.0,(6.18,5.13,;5.78,3.65,;6.55,2.31,;5.52,1.17,;4.12,1.8,;4.12,.26,;2.78,-.51,;1.45,.26,;1.45,1.8,;2.78,2.57,;.11,-.51,;-1.22,.26,;-2.55,-.51,;-3.89,.26,;-2.55,-2.05,;-3.89,-2.82,;-5.22,-2.05,;-6.55,-2.82,;-6.55,-4.36,;-5.22,-5.13,;-3.89,-4.36,;-2.55,-5.13,;-1.22,-2.82,;-1.22,-4.36,;.11,-2.05,;1.45,-2.82,;4.28,3.33,;3.19,4.42,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccccc3F)c(=O)n2C)[C@@H]1N |r,wD:26.30,1.0,(6.18,5.13,;5.78,3.65,;6.55,2.31,;5.52,1.17,;4.12,1.8,;4.12,.26,;2.78,-.51,;1.45,.26,;1.45,1.8,;2.78,2.57,;.11,-.51,;-1.22,.26,;-2.55,-.51,;-3.89,.26,;-2.55,-2.05,;-3.89,-2.82,;-5.22,-2.05,;-6.55,-2.82,;-6.55,-4.36,;-5.22,-5.13,;-3.89,-4.36,;-2.55,-5.13,;-1.22,-2.82,;-1.22,-4.36,;.11,-2.05,;1.45,-2.82,;4.28,3.33,;3.19,4.42,)|
Cn1c(nc(N)c(-c2ccccc2)c1=O)N1CCC2(C[C@H](F)C[C@H]2N)CC1 |r|
Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(C[C@H](F)C[C@H]2N)CC1 |r,wU:22.24,wD:25.28,(.68,-1.7,;-.65,-.93,;-.65,.61,;-1.98,1.38,;-3.32,.61,;-4.65,1.38,;-3.32,-.93,;-4.65,-1.7,;-5.99,-.93,;-7.32,-1.7,;-7.32,-3.24,;-5.99,-4.01,;-5.99,-5.55,;-4.65,-3.24,;-3.32,-4.01,;-1.98,-1.7,;-1.98,-3.24,;.68,1.38,;2.02,.61,;3.35,1.38,;3.35,2.92,;4.76,2.3,;5.79,3.44,;7.32,3.28,;5.02,4.78,;3.51,4.46,;2.42,5.55,;2.02,3.69,;.68,2.92,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(F)cc3F)c(=O)n2C)[C@@H]1N |r,wD:27.31,1.0,(6.85,5.13,;6.45,3.65,;7.22,2.31,;6.19,1.17,;4.78,1.8,;4.78,.26,;3.45,-.51,;2.12,.26,;2.12,1.8,;3.45,2.57,;.78,-.51,;-.55,.26,;-1.89,-.51,;-3.22,.26,;-1.89,-2.05,;-3.22,-2.82,;-4.55,-2.05,;-5.89,-2.82,;-5.89,-4.36,;-7.22,-5.13,;-4.55,-5.13,;-3.22,-4.36,;-1.89,-5.13,;-.55,-2.82,;-.55,-4.36,;.78,-2.05,;2.12,-2.82,;4.94,3.33,;3.85,4.42,)|
COc1ccc(cc1F)-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(F)c(Cl)c3)c(=O)n2C)[C@@H]1N |r|
COc1ccc(cc1)-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)C3CC3)c(=O)n2C)[C@@H]1N |r|
Cn1c(nc(N)c(-c2ccccc2)c1=O)N1CCC2(C[C@H](C[C@H]2N)C(F)(F)F)CC1 |r|
COc1ccc(cc1Cl)-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)C3CCCCC3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cc(F)cc(F)c3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1CC2(CCN(CC2)c2nc(N)c(-c3ccccc3)c(=O)n2C)[C@H](N)C1(F)F |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)N(C)C)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1CC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3Cl)c(=O)n2C)[C@H](N)C1(F)F |r,wD:26.29,1.0,(7.32,2.92,;5.79,3.08,;4.76,1.94,;3.35,2.57,;3.35,1.03,;2.02,.26,;.68,1.03,;.68,2.57,;2.02,3.34,;-.65,.26,;-1.98,1.03,;-3.32,.26,;-4.65,1.03,;-3.32,-1.28,;-4.65,-2.05,;-5.99,-1.28,;-7.32,-2.05,;-7.32,-3.59,;-5.99,-4.36,;-5.99,-5.9,;-4.65,-3.59,;-3.32,-4.36,;-1.98,-2.05,;-1.98,-3.59,;-.65,-1.28,;.68,-2.05,;3.51,4.1,;2.42,5.19,;5.02,4.42,;6.35,5.19,;5.42,5.9,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)-c3ccccc3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(OC(F)(F)F)cc3)c(=O)n2C)[C@@H]1N |r|
COCCOc1ccc(cc1)-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cncc(Cl)c3)c(=O)n2C)[C@@H]1N |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(-c2ccc(Cl)cc2)c(=O)n1C |r|
COc1ccc(cc1C)-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)C(C)(C)C)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)C#N)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccccc3C)c(=O)n2C)[C@@H]1N |r,wD:26.30,1.0,(6.18,5.13,;5.78,3.65,;6.55,2.31,;5.52,1.17,;4.12,1.8,;4.12,.26,;2.78,-.51,;1.45,.26,;1.45,1.8,;2.78,2.57,;.11,-.51,;-1.22,.26,;-2.55,-.51,;-3.89,.26,;-2.55,-2.05,;-3.89,-2.82,;-5.22,-2.05,;-6.55,-2.82,;-6.55,-4.36,;-5.22,-5.13,;-3.89,-4.36,;-2.55,-5.13,;-1.22,-2.82,;-1.22,-4.36,;.11,-2.05,;1.45,-2.82,;4.28,3.33,;3.19,4.42,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(Cl)c(Cl)c3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)C3CCOCC3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cc(Cl)cc(Cl)c3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cc(Cl)cc(Cl)c3Cl)c(=O)n2C)[C@@H]1N |r,wD:28.32,1.0,(6.85,5.9,;6.45,4.42,;7.22,3.08,;6.19,1.94,;4.78,2.57,;4.78,1.03,;3.45,.26,;2.12,1.03,;2.12,2.57,;3.45,3.34,;.78,.26,;-.55,1.03,;-1.89,.26,;-3.22,1.03,;-1.89,-1.28,;-3.22,-2.05,;-4.55,-1.28,;-5.89,-2.05,;-7.22,-1.28,;-5.89,-3.59,;-4.55,-4.36,;-4.55,-5.9,;-3.22,-3.59,;-1.89,-4.36,;-.55,-2.05,;-.55,-3.59,;.78,-1.28,;2.12,-2.05,;4.94,4.1,;3.85,5.19,)|
COc1ccccc1-c1c(N)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n(C)c1=O |r,wD:21.23,19.20,(-2.55,-5.9,;-2.55,-4.36,;-3.89,-3.59,;-5.22,-4.36,;-6.55,-3.59,;-6.55,-2.05,;-5.22,-1.28,;-3.89,-2.05,;-2.55,-1.28,;-2.55,.26,;-3.89,1.03,;-1.22,1.03,;.11,.26,;1.45,1.03,;2.78,.26,;4.12,1.03,;4.12,2.57,;5.52,1.94,;6.55,3.08,;5.78,4.42,;6.18,5.9,;4.28,4.1,;3.19,5.19,;2.78,3.34,;1.45,2.57,;.11,-1.28,;1.45,-2.05,;-1.22,-2.05,;-1.22,-3.59,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccccn3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccnc3C)c(=O)n2C)[C@@H]1N |r,wD:26.30,1.0,(6.18,5.13,;5.78,3.65,;6.55,2.31,;5.52,1.17,;4.12,1.8,;4.12,.26,;2.78,-.51,;1.45,.26,;1.45,1.8,;2.78,2.57,;.11,-.51,;-1.22,.26,;-2.55,-.51,;-3.89,.26,;-2.55,-2.05,;-3.89,-2.82,;-5.22,-2.05,;-6.55,-2.82,;-6.55,-4.36,;-5.22,-5.13,;-3.89,-4.36,;-2.55,-5.13,;-1.22,-2.82,;-1.22,-4.36,;.11,-2.05,;1.45,-2.82,;4.28,3.33,;3.19,4.42,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(c3)C(F)(F)F)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(cc3)N3CCOCC3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cc(Cl)ccc3Cl)c(=O)n2C)[C@@H]1N |r,wD:27.31,1.0,(6.85,5.13,;6.45,3.65,;7.22,2.31,;6.19,1.17,;4.78,1.8,;4.78,.26,;3.45,-.51,;2.12,.26,;2.12,1.8,;3.45,2.57,;.78,-.51,;-.55,.26,;-1.89,-.51,;-3.22,.26,;-1.89,-2.05,;-3.22,-2.82,;-4.55,-2.05,;-5.89,-2.82,;-7.22,-2.05,;-5.89,-4.36,;-4.55,-5.13,;-3.22,-4.36,;-1.89,-5.13,;-.55,-2.82,;-.55,-4.36,;.78,-2.05,;2.12,-2.82,;4.94,3.33,;3.85,4.42,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccnc(Cl)c3)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1CC2(CCN(CC2)c2nc(N)c(-c3ccccc3)c(=O)n2C)[C@H](N)[C@H]1F |r|
Cn1c(nc(N)c(-c2ccccc2)c1=O)N1CCC2(COC[C@H]2N)CC1 |r|
Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(COC[C@H]2N)CC1 |r,wD:24.27,(1.45,-1.7,;.11,-.93,;.11,.61,;-1.22,1.38,;-2.55,.61,;-3.89,1.38,;-2.55,-.93,;-3.89,-1.7,;-5.22,-.93,;-6.55,-1.7,;-6.55,-3.24,;-5.22,-4.01,;-5.22,-5.55,;-3.89,-3.24,;-2.55,-4.01,;-1.22,-1.7,;-1.22,-3.24,;1.45,1.38,;2.78,.61,;4.12,1.38,;4.12,2.92,;5.52,2.3,;6.55,3.44,;5.78,4.78,;4.28,4.46,;3.19,5.55,;2.78,3.69,;1.45,2.92,)|
Cn1c(nc(N)c(-c2ccccc2)c1=O)N1CCC2(CCC[C@H]2N)CC1 |r|
Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CCC[C@H]2N)CC1 |r,wD:24.27,(1.45,-1.7,;.11,-.93,;.11,.61,;-1.22,1.38,;-2.55,.61,;-3.89,1.38,;-2.55,-.93,;-3.89,-1.7,;-5.22,-.93,;-6.55,-1.7,;-6.55,-3.24,;-5.22,-4.01,;-5.22,-5.55,;-3.89,-3.24,;-2.55,-4.01,;-1.22,-1.7,;-1.22,-3.24,;1.45,1.38,;2.78,.61,;4.12,1.38,;4.12,2.92,;5.52,2.3,;6.55,3.44,;5.78,4.78,;4.28,4.46,;3.19,5.55,;2.78,3.69,;1.45,2.92,)|
Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1 |(1.51,-1.05,;.18,-.28,;.18,1.26,;-1.16,2.03,;-2.49,1.26,;-3.82,2.03,;-2.49,-.28,;-3.82,-1.05,;-5.16,-.28,;-6.49,-1.05,;-6.49,-2.59,;-5.16,-3.36,;-5.16,-4.9,;-3.82,-2.59,;-2.49,-3.36,;-1.16,-1.05,;-1.16,-2.59,;1.51,2.03,;2.85,1.26,;4.18,2.03,;4.18,3.57,;5.72,3.57,;4.95,4.9,;6.49,4.9,;2.85,4.34,;1.51,3.57,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccccc3)c(=O)n2C)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1ncc(-c2cccc(Cl)c2Cl)c(=O)[nH]1
C[C@@H]1OCC2(CCN(CC2)c2ncc(-c3cccc(Cl)c3Cl)c(=O)[nH]2)[C@@H]1N |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(-c2cccc(Cl)c2Cl)c(=O)[nH]1 |r|
NC1CCCC11CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 |r|
NC1CCCCC11CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1
N[C@@H]1CCOC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
NC1CCCCC11CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
NC1CCCC11CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
NC1CCC11CN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N[C@H]1CC[C@@]11CCN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r|
N[C@@H]1CC[C@@]11CCN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r|
N[C@H]1CC[C@@]11CCN(C1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 |r|
N[C@@H]1CC[C@@]11CCN(C1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 |r|
N[C@H]1CCC11CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1 |r|
NC1CCC11CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N[C@H]1CCC11CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r|
N[C@@H]1CCC11CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r|
NC1CCS(=O)(=O)C11CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
NC1CCS(=O)(=O)C11CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1
N[C@H]1CCC11CCN(CC1)c1nc(N)c(Sc2cccnc2C(F)(F)F)nc1C(N)=O |r|
N[C@H]1CCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
NC1CCOC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
N[C@@H]1C[C@H](O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
N[C@H]1C[C@H](O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
CO[C@@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
CO[C@@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r|
NC1CC(F)(F)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
CO[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
CN[C@@H]1C[C@H](O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
NC1=NC(=O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |t:1|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cc(N)ncc2Cl)c(N)n1 |r|
N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
N[C@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2cccnc2Cl)c(N)n1 |r|
N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnnc2Cl)c(N)n1 |r|
C[C@@H]1CCC2(CCN(CC2)c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)[C@@H]1N |r|
N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r|
N[C@@H]1C[C@H](O)CC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r|
CO[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
CO[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r|
C[C@@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
C[C@@H]1C[C@H](N)C2(C1)CCN(CC2)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r|
N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(F)c2Cl)c(N)n1 |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cc(F)ncc2Cl)c(N)n1 |r|
CC(C)C(=O)O[C@@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r|
N[C@@H]1CC(F)(F)CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
NC1=NC2(CO1)CCN(CC2)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |t:1|
NC1=NC2(CO1)CCN(CC2)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |t:1|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccnnc2Cl)c(N)n1 |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccnc(F)c2Cl)c(N)n1 |r|
COc1nccc(Sc2ncc(nc2N)N2CCC3(CCC[C@H]3N)CC2)c1Cl |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccncc2Cl)c(N)n1 |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccncc2C(F)(F)F)c(N)n1 |r|
N[C@@H]1[C@H](F)CCC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
C[C@H]1CCC2(CCN(CC2)c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)[C@@H]1N |r|
C[C@@H]1CCC2(CCN(CC2)c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)[C@@H]1N |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cc(N)nc(Cl)c2Cl)c(N)n1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cc(N)nc(Cl)c3Cl)c(N)n2)[C@@H]1N |r|
N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2cc(N)nc(Cl)c2Cl)c(N)n1 |r|
N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc(Sc2cc(N)nc(Cl)c2Cl)c(N)n1 |r|
N[C@@H]1C[C@H](F)CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
N[C@@H]1C[C@@H](F)CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
CC1(CN)CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)[nH]c1=O
CC1(CN)CCN(CC1)c1nc2[nH]nc(Oc3cccc(Cl)c3Cl)c2c(=O)[nH]1
Cn1c(nc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)C1
CC1(CN)CCN(CC1)c1nc2[nH]nc(Nc3cccc(Cl)c3Cl)c2c(=O)[nH]1
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)[nH]c2=O)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1ncc(Sc2cccc(NC(=O)c3c(O)nc4sccn4c3=O)c2Cl)[nH]c1=O
CC1(CN)CCN(CC1)c1ncc(Sc2cccc(NC(=O)c3c(O)nc4ccccn4c3=O)c2Cl)[nH]c1=O
CC1(CN)CCN(CC1)c1ncc(Sc2cccc(NC(=O)c3c(O)nc4[nH]ccn4c3=O)c2Cl)[nH]c1=O
CN1C(=O)C(C(=O)Nc2cccc(Sc3cnc(N4CCC(C)(CN)CC4)c(=O)[nH]3)c2Cl)=C(Cl)C1(C)C |t:34|
CC1(CN)CCN(CC1)c1ncc(Sc2cccc(NC(=O)c3c(O)nc4cnccn4c3=O)c2Cl)[nH]c1=O
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)[nH]c2=O)[C@@H]1N |r|
N[C@@H]1COCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)[nH]c1=O |r|
NC1CCCC(C1)n1ccc(cc1=O)-c1cccc(Cl)c1Cl
CC1(CN)CCN(CC1)c1ncc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)[nH]c1=O
COc1cccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c(=O)[nH]2)c1Cl |r|
COc1nccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c(=O)[nH]2)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(Cl)c3Cl)[nH]c2=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(F)c3F)[nH]c2=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc[nH]c(=O)c3Cl)[nH]c2=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(F)c3Cl)[nH]c2=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(F)c3F)[nH]c2=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(F)c3Cl)[nH]c2=O)[C@@H]1N |r|
NC1C2CC2CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)[nH]c1=O
NC1C2CN(CC12)c1ncc(Sc2cccc(Cl)c2Cl)[nH]c1=O
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)[nH]c1=O |r|
N[C@@H]1c2ccccc2OC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)[nH]c1=O |r|
N[C@@H]1COCC11CCN(CC1)c1ncc(Sc2ccnc(Cl)c2Cl)[nH]c1=O |r|
Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CCC(CC5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@H](O)C3)cc2n1 |r|
Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CCC(CC5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@](C)(O)C3)cc2n1 |r|
Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CCC(CC5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@](C)(O)C3)cc2n1 |r|
C[C@@H](CO)NCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CCC(CC6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1 |r|
C[C@H](O)CNCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CCC(CC6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1 |r|
Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@H](C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@H](O)C3)cc2n1 |r|
Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@H](C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@](C)(O)C3)cc2n1 |r|
Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@H](C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@](C)(O)C3)cc2n1 |r|
C[C@@H](CO)NCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CC[C@H](C6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1 |r|
C[C@H](O)CNCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CC[C@H](C6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1 |r|
Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@](C)(C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@H](O)C3)cc2n1 |r|
Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@](C)(C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@](C)(O)C3)cc2n1 |r|
Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@](C)(C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@](C)(O)C3)cc2n1 |r|
C[C@@H](CO)NCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CC[C@](C)(C6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1 |r|
C[C@H](O)CNCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CC[C@](C)(C6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1 |r|
Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C |r|
Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C |r|
Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CC[C@](C)(C4)C(O)=O)cc(C#N)c3o2)c1C |r|
Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C2CC2)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C |r|
Cc1c(Nc2nc(N)nc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C |r|
Cc1c(Nc2nc(nc3cc(CN4CC[C@@](C)(O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C |r|
Cc1c(Nc2nc(nc3cc(CN4CC[C@](C)(O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C |r|
C[C@]1(CN)CCN(C[C@H]1O)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r|
C[C@]1(N)CCN(C[C@@H]1O)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r|
CC(=O)N1CC(F)(F)c2c1cccc2Sc1ncc(nc1N)N1CCC2(COC[C@H]2N[S@](=O)C(C)(C)C)CC1 |r|
CC(C)(C)[S@@](=O)N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2cccc3NC(=O)C(F)(F)c23)c(N)n1 |r|
CC(C)(C)[S@@](=O)N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc3NC(=O)C(F)(F)c23)c(N)n1 |r|
N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2cccc3[nH]cc(F)c23)c(N)n1 |r|
NC1C2CC2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1Cl
COc1cccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1Cl
COc1cccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1F
COc1c(F)ccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1F
COc1ccc2c(c1)CC1(CCN(c3nc(C)c(-c4ccnc(C)c4Cl)n4nccc34)CC1)[C@@H]2N
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccnc(C(C)C)c1Cl
Cc1cnc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccccc4F)n4nccc34)CC1)C2
COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4cccc(F)c4Cl)n4nccc34)CC1)C2
COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccnc(C)c4Cl)n4nccc34)CC1)C2
COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccccc4F)n4nccc34)CC1)C2
Cc1nc(N2CCC3(CC2)Cc2cccnc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1Cl
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3cccnc3[C@H]4N)c3ccnn23)c1Cl
Cc1nc(N2CCC3(CC2)Oc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1Cl
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Oc3ncccc3[C@H]4N)c3ccnn23)c1Cl
Cc1nc(N2CCC3(CC2)Oc2ncccc2[C@H]3N)c2ccnn2c1-n1cc(F)c2ccccc21
Cc1nc(N2CCC3(CC2)Oc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(Cl)c1Cl
Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)c2ccnn2c1-n1cc(F)c2ccccc21
Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)c2ccnn2c1-c1cccc(Cl)c1Cl
Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1Cl
Cc1nocc1-c1c(C)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c2ccnn12
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccccc1Cl
COc1cnc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccnc(C)c4Cl)n4nccc34)CC1)C2
COc1cnc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4cccc(F)c4F)n4nccc34)CC1)C2
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)c3ccnn23)c1Cl
N[C@@H]1c2cccnc2CC12CCN(c1ncc(-c3cccc(F)c3F)n3nccc13)CC2
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2nccnc2c1
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncc(F)cc3[C@H]4N)c3ccnn23)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccnn1C
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2ncccc2c1F
COc1ccc(F)c(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1
COc1cccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1
Cc1nn(C)c(C)c1-c1c(C)nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn12
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2c(c1F)OCCO2
Cc1nc(N2CCC3(CC2)Cc2c(ccnc2CO)[C@H]3N)c2ccnn2c1-c1ccccc1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2cc(C(F)F)nn2c1-c1cnn(C)c1C
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2cc(CO)nn2c1-c1cccc(F)c1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1sccc1Cl
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccccc1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccnc(C2CC2)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccnc(C(F)(F)F)c1F
CCc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1Cl
Cc1cnc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccnc(C)c4Cl)n4nccc34)CC1)C2
Cc1cc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)n(C)n1
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CCCC5COc34)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@@H](F)CC5COc34)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](F)CC5COc34)nc2CO)[C@@H]1N |r|
CO[C@H]1CC2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
CO[C@@H]1CC2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@@H](O)CC5COc34)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](O)CC5COc34)nc2CO)[C@@H]1N |r|
CO[C@@H]1C[C@@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
CO[C@H]1C[C@@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)O[C@H]3CCOC3)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OC3CCOC3)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OC3COC3)nc2CO)[C@@H]1N |r|
COCO[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
COCCO[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OCC3CC3)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CC6(CC6)CC5COc34)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@@](C)(O)C[C@H]5COc34)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@](C)(O)C[C@H]5COc34)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)C#N)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)S(C)(=O)=O)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OC(N)=O)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@@H](C[C@H]5COc34)OC(N)=O)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)n3cccn3)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@@H](C[C@H]5COc34)n3cccn3)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CCOC[C@@H]5COc34)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CCOC[C@H]5COc34)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CCS(=O)(=O)CC5COc34)nc2CO)[C@@H]1N |r|
COC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
COC[C@@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
COCOC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
COOCOC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@@H](COCC6CC6)C[C@H]5COc34)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@@H](COCC6COC6)C[C@H]5COc34)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)nc4N5CCC[C@H]5COc34)nc2CO)[C@@H]1N |r|
COC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(Cc7ncccc7[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
COC[C@@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(Cc7ncccc7[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
COC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(COC7(CCC7)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
COCOC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(COC7(CCC7)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
COCOCOC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@@H](CO)C[C@H]5COc34)nc2CO)[C@@H]1N |r|
COCOC[C@H]1C[C@H]2COc3c(Sc4cnc(cn4)N4CCC5(CO[C@@H](C)[C@H]5N)CC4)ccnc3N2C1 |r|
COC[C@H]1C[C@H]2COc3c(Sc4cnc(cn4)N4CCC5(CO[C@@H](C)[C@H]5N)CC4)ccnc3N2C1 |r|
COCOC[C@H]1C[C@H]2COc3c(Sc4ncc(nc4N)N4CCC5(CO[C@@H](C)[C@H]5N)CC4)ccnc3N2C1 |r|
COC[C@H]1C[C@H]2COc3c(Sc4ncc(nc4N)N4CCC5(CO[C@@H](C)[C@H]5N)CC4)ccnc3N2C1 |r|
COCOC[C@H]1C[C@H]2COc3c(Sc4cnc(cn4)N4CCC5(Cc6ncccc6[C@H]5N)CC4)ccnc3N2C1 |r|
COCOC[C@H]1C[C@H]2COc3c(Sc4ncc(nc4N)N4CCC5(Cc6ncccc6[C@H]5N)CC4)ccnc3N2C1 |r|
COCOC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(Cc7ncccc7[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
COCOC[C@H]1C[C@H]2COc3c(Sc4nc(CO)c(nc4C)N4CCC5(CO[C@@H](C)[C@H]5N)CC4)ccnc3N2C1 |r|
COCOC[C@@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
COCOC[C@H]1CC2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
COCOC[C@@H]1CC2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cscc1C#N
Cc1nn(C)cc1-c1c(C)nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn12
CCn1cc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)cn1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccnc(C(F)(F)F)c1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cc2ccccc2n1C
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccccc1F
Cc1ccccc1-c1c(C)nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn12
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc(Cl)s1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccsc1Cl
Cc1nc(N2CCC3(CC2)Cc2ncc(C(F)F)cc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
COc1ccc2c(n1)CC1(CCN(c3nc(C)c(-c4ccccc4F)n4nccc34)CC1)[C@@H]2N
[2H]c1c([2H])c([2H])c(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c([2H])c1[2H]
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cc2c(cc1F)OCCO2
Cc1nc(N2CCC3(CC2)Cc2cc(CO)ncc2[C@H]3N)c2ccnn2c1-c1ccccc1F
Cc1cc2c(cn1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccccc4F)n4nccc34)CC1)C2
Cc1nc(N2CCC3(CC2)Cc2nc(C(F)F)ccc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
COc1ccc2c(c1)CC1(CCN(c3nc(C)c(-c4cnn(C)c4C)n4nccc34)CC1)[C@@H]2N
Cc1nc(N2CCC3(CC2)Cc2nccnc2[C@H]3N)c2ccnn2c1-c1ccccc1F
Cc1nc(N2CCC3(CC2)Cc2c(F)cccc2[C@H]3N)c2ccnn2c1-c1ccccc1F
Cc1nc(N2CCC3(CC2)Cc2scnc2[C@H]3N)c2ccnn2c1-c1cccc(Cl)c1Cl
Cc1nc(N2CCC3(CC2)Cc2scnc2[C@H]3N)c2ccnn2c1-c1ccccc1F
Cc1nc(N2CCC3(CC2)Cc2scnc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
Cc1nc(N2CCC3(CC2)Cc2scnc2[C@H]3N)c2ccnn2c1-c1ccccc1
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3scnc3[C@H]4N)c3ccnn23)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccncc1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccncc1F
Cc1nc(N2CCC3(CC2)Cc2ncsc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncsc3[C@H]4N)c3ccnn23)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ncsc2[C@H]3N)c2ccnn2c1-c1ccccc1
Cc1nc(N2CCC3(CC2)Cc2ncsc2[C@H]3N)c2ccnn2c1-c1ccccc1F
COc1cc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c(F)cn1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2nccnc2c1Cl
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2nccnc2c1F
Cc1cnc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccc5nccnc5c4Cl)n4nccc34)CC1)C2
Cc1nc(N2CCC3(CC2)Cc2cc(F)c(F)cc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
Cc1nc2c(s1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccc5nccnc5c4Cl)n4nccc34)CC1)C2
Cc1nc2c(s1)[C@@H](N)C1(CCN(c3nc(C)c(-c4cnn(C)c4C)n4nccc34)CC1)C2
Cc1nc2c(s1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccccc4F)n4nccc34)CC1)C2
Cc1nc2c(s1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccnc(C)c4Cl)n4nccc34)CC1)C2
COc6cccc(c4cnc(N1CCC3(CC1)Cc2ncccc2[C@H]3N)c5ccnn45)c6F
Cc1nccc(-c2cnc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1Cl
N[C@@H]1c2cc(F)ccc2CC12CCN(c1ncc(-c3cccc(F)c3Cl)n3nccc13)CC2
Cc1c(-c2cnc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)cnn1C
N[C@@H]1c2cccnc2CC12CCN(c1ncc(-c3ccc(F)c4cc[nH]c34)n3nccc13)CC2
N[C@@H]1c2cccnc2CC12CCN(c1ncc(-c3cnn4ccccc34)n3nccc13)CC2
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ccc(F)cc3[C@H]4N)c3ccnn23)c1Cl
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3c(F)cccc3[C@H]4N)c3ccnn23)c1Cl
Cc1nc(N2CCC3(CC2)Cc2c(F)cccc2[C@H]3N)c2ccnn2c1-c1ccccc1F
Cc1nc(N2CCC3(CC2)Cc2c(F)cccc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1F
Cc1nc(N2CCC3(CC2)Cc2c(F)cccc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
Cc1nc(N2CCC3(CC2)Cc2c(F)cccc2[C@H]3N)c2ccnn2c1-c1cnn2ccccc12
Cc1nc(N2CCC3(CC2)Cc2c(F)cccc2[C@H]3N)c2ccnn2c1-c1cnc(C)n1C
Cc1cnccc1-c1c(C)nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn12
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cccs1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccncc1Cl
Cc1nc(N2CCC3(CC2)Cc2cc(F)ccc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
Cc1nc(N2CCC3(CC2)Cc2c(F)cc(F)cc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
Cc1nc(N2CCC3(CC2)Cc2ccc(F)cc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
Cc1nc2c(s1)CC1(CCN(c3nc(C)c(-c4ccccc4F)n4nccc34)CC1)[C@@H]2N
Cc1nc2c(s1)CC1(CCN(c3nc(C)c(-c4ccnc(C)c4Cl)n4nccc34)CC1)[C@@H]2N
Cc1ccc2c(n1)CC1(CCN(c3nc(C)c(-c4ccccc4F)n4nccc34)CC1)[C@@H]2N
Cc1ccc2c(n1)CC1(CCN(c3nc(C)c(-c4ccccc4)n4nccc34)CC1)[C@@H]2N
COc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1Cl
COc1cccc6c1CC5(CCN(c3nc(C)c(c2ccccc2F)n4nccc34)CC5)[C@@H]6N
COc1cccc6c1CC5(CCN(c3nc(C)c(c2ccnc(C)c2Cl)n4nccc34)CC5)[C@@H]6N
COc1cccc6c1CC5(CCN(c3nc(C)c(c2cnn(C)c2C)n4nccc34)CC5)[C@@H]6N
Cc1cc2c(cn1)CC1(CCN(c3nc(C)c(-c4ccnc(C)c4Cl)n4nccc34)CC1)[C@@H]2N
Cc1cc2c(cn1)CC1(CCN(c3nc(C)c(-c4cnn(C)c4C)n4nccc34)CC1)[C@@H]2N
Cc1cc2c(cn1)CC1(CCN(c3nc(C)c(-c4ccccc4)n4nccc34)CC1)[C@@H]2N
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1c(F)cccc1F
Cc1cc2c(cn1)CC1(CCN(c3nc(C)c(-c4ccnc(C)c4F)n4nccc34)CC1)[C@@H]2N
Cc1cc2c(cn1)CC1(CCN(c3nc(C)c(-c4cccc(C#N)c4F)n4nccc34)CC1)[C@@H]2N
COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccnc(C)c4F)n4nccc34)CC1)C2
COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccncc4Cl)n4nccc34)CC1)C2
COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4cnn(C)c4C)n4nccc34)CC1)C2
COc1cc2c(cn1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccnc(C)c4Cl)n4nccc34)CC1)C2
COc1cc2c(cn1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccccc4F)n4nccc34)CC1)C2
COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4cc(C)nn4C)n4nccc34)CC1)C2
Cc1cc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)cnn1
CCn1ncc(-c2c(C)nc(N3CCC4(CC3)Cc3ccc(OC)cc3[C@H]4N)c3ccnn23)c1C
COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4cnn(C)c4Cl)n4nccc34)CC1)C2
COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4cc(C(F)(F)F)nn4C)n4nccc34)CC1)C2
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Oc3ccccc3[C@H]4N)c3ccnn23)c1Cl
Cc1nc(N2CCC3(CC2)Oc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1C(F)(F)F
Cc1nc(N2CCC3(CC2)Cc2cccnc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
COc1cc2c(cn1)OC1(CCN(c3nc(C)c(-c4ccccc4F)n4nccc34)CC1)[C@@H]2N
COc1cc2c(cn1)CC1(CCN(c3nc(C)c(-c4cnn(C)c4C)n4nccc34)CC1)[C@@H]2N
Cc1nc(N2CCC3(CC2)Cc2ccncc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
Cc1nc(N2CCC3(CC2)Cc2ccncc2[C@H]3N)c2ccnn2c1-c1ccccc1F
COc1cc2c(cn1)CC1(CCN(c3nc(C)c(-c4ccccc4)n4nccc34)CC1)[C@@H]2N
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@@H]3N)c2ccnn2c1-c1ccccc1F
COc1cc2c(cn1)CC1(CCN(c3nc(C)c(-c4ccnc(C)c4Cl)n4nccc34)CC1)[C@@H]2N
Cc1nc(N2CCC3(CC2)Cc2ccncc2[C@H]3N)c2ccnn2c1-c1ccccc1
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ccncc3[C@H]4N)c3ccnn23)c1Cl
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ccncc3[C@H]4N)c3ccnn23)c1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@@H]3N)c2ccnn2c1-c1ccccc1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2c(F)cnn2c1-c1ccccc1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2c(F)cnn2c1-c1ccccc1
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3c(F)cnn23)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2c(CO)cnn2c1-c1ccccc1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2c(C(F)F)cnn2c1-c1ccccc1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2c(C(F)F)cnn2c1-c1ccccc1F
CCn1cc(-c2c(C)nc(N3CCC4(CC3)Cc3cc(OC)ccc3[C@H]4N)c3ccnn23)cn1
Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c2ccnn2c1-c1cnoc1C
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)c3ccnn23)c1F
Cc1ncc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)s1
Cc1nc(N2CCC3(CC2)Nc2ccccc2[C@H]3N)c2ccnn2c1-c1ccccc1F
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Nc3ccccc3[C@H]4N)c3ccnn23)c1Cl
Cc1nc(N2CCC3(CC2)[C@H](N)c2ccccc2N3C)c2ccnn2c1-c1ccccc1F
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)[C@H](N)c3ccccc3N4C)c3ccnn23)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cncs1
Cc1nc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)cs1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccnnc1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cscn1
Cc1nc(C)c(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)s1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2c(c1)OCC2
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cc(C(F)(F)F)nn1C
Cc1cccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1C
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cncnc1
Cc1cccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2c(c1)CCCO2
CNc1cc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)ccn1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2cnccc2c1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2scnc2c1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2c(c1)CCN2C
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cc(C(=O)N(C)C)ccc1F
COc1ccc(Cl)c(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(C(F)(F)F)c1F
COc1ccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c(F)c1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc(N(C)C)nc1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc(N)nc1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc2c1OCC2
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cncc(F)c1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1C#N
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(C#N)c1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc2c1ccn2C
Cc1nc(N2CCC3(Cc4ncccc4[C@H]3N)CC2)c2ccnn2c1-c1ccc2OCCOc2c1 |r|
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2ccn(C)c2c1
COc1ccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c(F)c1
Cc1ccc(c(F)c1)-c1c(C)nc(N2CCC3(Cc4ncccc4[C@H]3N)CC2)c2ccnn12 |r,wD:24.27,(-8.45,5.1,;-7.12,4.33,;-5.79,5.1,;-4.46,4.33,;-4.46,2.79,;-5.78,2.02,;-5.78,.48,;-7.12,2.78,;-3.12,2.02,;-1.79,2.79,;-1.79,4.33,;-.46,2.02,;-.46,.48,;.87,-.29,;2.21,.48,;3.54,-.29,;3.54,-1.83,;3.72,-3.29,;5.23,-3.69,;6.04,-5.1,;7.65,-5.09,;8.45,-3.69,;7.65,-2.29,;6.03,-2.29,;4.95,-1.2,;5.35,.28,;2.21,-2.6,;.87,-1.83,;-1.79,-.29,;-2.1,-1.8,;-3.63,-1.97,;-4.26,-.56,;-3.12,.47,)|
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cc(C(F)(F)F)ccc1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2c(c1)CCO2
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc(CC#N)cc1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc(C#N)s1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(CO)c1
Cc1nc(N2CCC3(Cc4ncccc4[C@H]3N)CC2)c2ccnn2c1-c1cccc(Cl)c1Cl |r,wD:15.17,(-1.79,4.33,;-1.79,2.79,;-.46,2.02,;-.46,.48,;.87,-.29,;2.21,.48,;3.54,-.29,;3.54,-1.83,;3.72,-3.29,;5.22,-3.69,;6.04,-5.1,;7.65,-5.09,;8.45,-3.69,;7.65,-2.29,;6.03,-2.29,;4.95,-1.2,;5.35,.28,;2.21,-2.6,;.87,-1.83,;-1.79,-.29,;-2.1,-1.8,;-3.63,-1.97,;-4.26,-.56,;-3.12,.47,;-3.12,2.02,;-4.46,2.79,;-4.46,4.33,;-5.79,5.1,;-7.12,4.33,;-7.12,2.78,;-8.45,2.01,;-5.78,2.02,;-5.78,.48,)|
Cc1nc(N2CCC3(Cc4ncccc4[C@H]3N)CC2)c2ccnn2c1-c1ccc(F)cc1F |r,wD:15.17,(-1.79,4.33,;-1.79,2.79,;-.46,2.02,;-.46,.48,;.87,-.29,;2.21,.48,;3.54,-.29,;3.54,-1.83,;3.72,-3.29,;5.23,-3.69,;6.04,-5.1,;7.65,-5.09,;8.45,-3.69,;7.65,-2.29,;6.03,-2.29,;4.95,-1.2,;5.35,.28,;2.21,-2.6,;.87,-1.83,;-1.79,-.29,;-2.1,-1.8,;-3.63,-1.97,;-4.26,-.56,;-3.12,.47,;-3.12,2.02,;-4.46,2.79,;-4.46,4.33,;-5.79,5.1,;-7.12,4.33,;-8.45,5.1,;-7.12,2.78,;-5.78,2.02,;-5.78,.48,)|
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccsc1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cc(F)ccc1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1C1=CCOCC1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1C
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccnc(N2CCOCC2)c1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cncc(Cl)c1
COc1c(F)cccc1-c1c(C)nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn12
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc(F)c(F)c1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2ncccc2c1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1
CC(=O)c1ccc(F)c(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1
Cc1ccc(F)c(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc(C#N)cc1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccnc(CO)c1Cl
Cc1nc(N2CCC3(Cc4ncccc4[C@H]3N)CC2)c2ccnn2c1-c1ccc(F)c2cc[nH]c12 |r,wD:15.17,(-1.79,4.33,;-1.79,2.79,;-.46,2.02,;-.46,.48,;.87,-.29,;2.21,.48,;3.54,-.29,;3.54,-1.83,;3.72,-3.29,;5.23,-3.69,;6.04,-5.1,;7.65,-5.09,;8.46,-3.69,;7.65,-2.29,;6.03,-2.29,;4.95,-1.2,;5.35,.28,;2.21,-2.6,;.87,-1.83,;-1.79,-.29,;-2.1,-1.8,;-3.63,-1.97,;-4.26,-.56,;-3.12,.47,;-3.12,2.02,;-4.46,2.79,;-4.46,4.33,;-5.79,5.1,;-7.12,4.33,;-8.46,5.1,;-7.12,2.78,;-8.26,1.74,;-7.62,.34,;-6.09,.51,;-5.78,2.02,)|
Cc1nc(N2CCC3(CC2)Cc2ncc(C#N)cc2[C@H]3N)c2ccnn2c1-c1ccccc1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1C1CC1
Cc1nc(N2CCC3(CC2)Cc2ccc(C#N)cc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
Cc1nc(N2CCC3(CC2)Cc2ccc(C#N)cc2[C@@H]3N)c2ccnn2c1-c1cnn(C)c1C
COc1ccc2c(n1)[C@@H](N)C1(CCN(c3nc(C)c(-c4cccc(F)c4F)n4nccc34)CC1)C2
COc1ccc2c(n1)[C@H](N)C1(CCN(c3nc(C)c(-c4cccc(F)c4F)n4nccc34)CC1)C2
COc1ccc2c(n1)[C@@H](N)C1(CCN(c3nc(C)c(-c4cccc(F)c4Cl)n4nccc34)CC1)C2
COc1ccc2c(n1)[C@H](N)C1(CCN(c3nc(C)c(-c4cccc(F)c4Cl)n4nccc34)CC1)C2
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3cc(F)ccc3[C@H]4N)c3ccnn23)c1Cl
Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3nc(O)sc3[C@H]4N)c3ccnn23)c1Cl
COc1nc2c(s1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccnc(C)c4Cl)n4nccc34)CC1)C2
COc1nc2c(s1)[C@@H](N)C1(CCN(c3nc(C)c(-c4cnn(C)c4C)n4nccc34)CC1)C2
COc1ccc2c(n1)CC1(CCN(c3nc(C)c(-c4cccc(F)c4F)n4nccc34)CC1)[C@@H]2N
Cc1nc(N2CCC3(Cc4nc(O)ccc4[C@H]3N)CC2)c2ccnn2c1-c1cccc(F)c1F |r,wD:16.18,(-1.79,4.99,;-1.79,3.45,;-.46,2.68,;-.46,1.14,;.87,.37,;2.21,1.14,;3.54,.37,;3.54,-1.17,;3.72,-2.63,;5.22,-3.03,;6.04,-4.44,;7.65,-4.43,;8.42,-5.76,;8.45,-3.03,;7.65,-1.63,;6.03,-1.63,;4.95,-.54,;5.35,.94,;2.21,-1.94,;.87,-1.17,;-1.79,.37,;-2.1,-1.13,;-3.63,-1.3,;-4.26,.1,;-3.12,1.13,;-3.12,2.68,;-4.46,3.45,;-4.46,4.99,;-5.79,5.76,;-7.12,4.99,;-7.12,3.44,;-8.45,2.67,;-5.78,2.68,;-5.78,1.14,)|
Cc1nc(N2CCC3(CC2)Cc2nc(CO)ccc2[C@H]3N)c2ccnn2c1-c1ccccc1
Cc1nc2c(o1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccccc4F)n4nccc34)CC1)C2
COCc5cnn6c(c1ccccc1F)c(C)nc(N2CCC4(CC2)Cc3ncccc3[C@H]4N)c56
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2c(CO)cnn2c1-c1ccccc1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cccn(C)c1=O
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccn(C)c(=O)c1F
Cc1nccc(Sc2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1Sc1cccnc1C(F)(F)F
Cc1nccc(Sc2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1Sc1ccnc(N)c1Cl
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1
Cn1c(nc2[nH]nc(-c3ccnc(N)c3Cl)c2c1=O)N1CCC2(CCC[C@H]2N)CC1 |r|
Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(CC[C@@H]2N)CC1 |r|
COc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r|
Cn1c(nc2[nH]nc(-c3ccccc3)c2c1=O)N1CCC2(CCC[C@H]2N)CC1 |r|
Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(COC[C@H]2N)CC1 |r|
Cn1c(nc2[nH]nc(-c3ccnc(Cl)c3Cl)c2c1=O)N1CCC2(COC[C@H]2N)CC1 |r|
Cn1c(nc2[nH]nc(-c3ccnc(Cl)c3Cl)c2c1=O)N1CCC2(CCC[C@H]2N)CC1 |r|
Cn1c(nc2[nH]nc(-c3ccnc(N)c3Cl)c2c1=O)N1CCC2(COC[C@H]2N)CC1 |r|
Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(CCCCC2N)CC1
Cn1c(nc2[nH]nc(-c3ccnc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1
Cn1c(nc2[nH]nc(-c3cccc(c3Cl)C(F)(F)F)c2c1=O)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4c(F)ccc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N |r,wD:30.35,1.0,(7,6.07,;6.23,4.74,;7.14,3.49,;6.23,2.24,;4.77,2.72,;3.43,3.49,;2.1,2.72,;2.1,1.18,;3.43,.41,;4.77,1.18,;.77,.41,;-.57,1.18,;-1.9,.41,;-3.37,.89,;-4.27,-.36,;-3.37,-1.61,;-3.76,-3.09,;-2.67,-4.18,;-1.19,-4.58,;-3.07,-5.67,;-4.56,-6.07,;-5.65,-4.98,;-7.14,-5.38,;-5.25,-3.49,;-6.34,-2.4,;-1.9,-1.13,;-.57,-1.9,;-.57,-3.44,;.77,-1.13,;2.1,-1.9,;4.77,4.26,;3.43,5.03,)|
Cn1c(nc2[nH]nc(-c3ccncc3Cl)c2c1=O)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CCC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(N5CCOCC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(N5CCCC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(Cl)c4Br)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(Br)c4)c3c(=O)n2C)[C@@H]1N |r|
CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Br |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc2[nH]nc(-c3ccncc3)c2c(=O)n1C |r|
Cn1c(nc2[nH]nc(-c3ccnc(N)c3Cl)c2c1=O)N1CCC2(C[C@H](F)C[C@H]2N)CC1 |r|
Cn1c(nc2[nH]nc(-c3ccnc(NC4CC4)c3Cl)c2c1=O)N1CCC2(C[C@H](F)C[C@H]2N)CC1 |r|
Cn1c(nc2[nH]nc(-c3ccccc3)c2c1=O)N1CCC2(C[C@H](F)C[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc(nc4C)N(C)C)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccccc4)c3c(=O)n2C)[C@@H]1N |r|
COc1ccc(cc1)-c1n[nH]c2nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c(=O)c12 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(N5CC[C@@H](O)C5)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(Cl)c4)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(N)c4)c3c(=O)n2C)[C@@H]1N |r|
CNc1cc(ccn1)-c1n[nH]c2nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c(=O)c12 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc(N)nc4C)c3c(=O)n2C)[C@@H]1N |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc2[nH]nc(-c3ccc(N)nc3C)c2c(=O)n1C |r|
Cc1nc(N)ccc1-c1n[nH]c2nc(N3CCC4(CC(F)(F)C[C@H]4N)CC3)n(C)c(=O)c12 |r|
Cn1c(nc2[nH]nc(-c3ccnc(NC4CC4)c3Cl)c2c1=O)N1CCC2(CC(F)(F)C[C@H]2N)CC1 |r|
Cn1c(nc2[nH]nc(-c3ccncc3)c2c1=O)N1CCC2(CC(F)(F)C[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc(N)nc4Cl)c3c(=O)n2C)[C@@H]1N |r|
Cc1nc(N)ccc1-c1n[nH]c2nc(N3CCC4(C[C@H](C[C@H]4N)C(F)(F)F)CC3)n(C)c(=O)c12 |r|
Cn1c(nc2[nH]nc(-c3ccncc3)c2c1=O)N1CCC2(C[C@H](C[C@H]2N)C(F)(F)F)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(N)c4)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc5OCCc5c4)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc(F)cc4)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc(F)c(F)c4)c3c(=O)n2C)[C@@H]1N |r|
COc1ccc(cc1F)-c1n[nH]c2nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c(=O)c12 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(F)c4F)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(F)c4)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cc(F)ccc4F)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccccc4F)c3c(=O)n2C)[C@@H]1N |r|
COc1ccc(cn1)-c1n[nH]c2nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c(=O)c12 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cc(F)cc(F)c4)c3c(=O)n2C)[C@@H]1N |r|
COc1ccccc1-c1n[nH]c2nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c(=O)c12 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccnc4C)c3c(=O)n2C)[C@@H]1N |r|
COc1cccc(-c2n[nH]c3nc(N4CCC5(COC[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r|
Cn1c(nc2[nH]nc(-c3ccncc3)c2c1=O)N1CCC2(COC[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccncc4)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(N(C)C)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
CCNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc2[nH]nc(-c3ccnc(N(C)C)c3Cl)c2c(=O)n1C |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NCC5CC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc2[nH]nc(-c3ccnc(N)c3Cl)c2c(=O)n1C |r|
CNc1nccc(-c2n[nH]c3nc(N4CCC5(C[C@@H](C)C[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(Cl)c4C)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cc(Cl)ncc4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cc(N)ncc4Cl)c3c(=O)n2C)[C@@H]1N |r|
COc1cccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r|
Cn1c(nc2[nH]nc(Sc3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(Sc4ccnc(N)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)-c2ccnc(Cl)c2Cl)[C@@H]1N |r|
CSc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1 |(-2.67,-13.86,;-1.33,-14.63,;,-13.86,;,-12.32,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-14.63,;1.33,-14.63,;1.33,-16.17,;,-16.94,;,-18.48,;1.33,-19.25,;2.67,-18.48,;4,-19.25,;2.67,-16.94,;4,-16.17,;1.33,-10.01,;2.67,-9.24,;2.67,-7.7,;1.33,-6.93,;2.32,-5.75,;.34,-5.75,;,-7.7,;,-9.24,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1 |(-2.21,2.67,;-1.44,1.33,;.1,1.33,;.87,,;.1,-1.33,;-1.46,-1.38,;-2.23,-2.72,;-2.21,,;-3.75,,;-4.52,1.33,;-6.06,1.33,;-6.83,,;-6.06,-1.33,;-6.83,-2.67,;-4.43,-1.41,;-3.64,-2.73,;2.41,,;3.18,-1.33,;4.72,-1.33,;5.49,,;6.83,-.77,;6.83,.77,;4.72,1.33,;3.18,1.33,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1 |(-2.2,6.43,;-1.43,5.1,;.11,5.1,;.88,3.76,;.11,2.43,;-1.46,2.38,;-2.23,1.05,;-2.2,3.76,;-3.74,3.76,;-4.51,5.1,;-6.05,5.1,;-6.82,3.76,;-6.05,2.43,;-6.82,1.1,;-4.51,2.43,;-3.74,1.1,;2.42,3.76,;3.19,2.43,;4.73,2.43,;5.5,3.76,;6.84,2.99,;6.84,4.53,;4.73,5.1,;3.19,5.1,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1 |(-2.22,-1.1,;-1.45,-2.43,;.09,-2.43,;.86,-3.76,;.09,-5.1,;-1.47,-5.14,;-2.24,-6.48,;-2.22,-3.76,;-3.76,-3.76,;-4.53,-5.1,;-6.07,-5.1,;-6.84,-3.76,;-6.07,-2.43,;-6.84,-1.1,;-4.53,-2.43,;-3.76,-1.1,;2.4,-3.76,;3.17,-5.1,;4.71,-5.1,;5.48,-3.76,;6.82,-4.53,;6.82,-2.99,;4.71,-2.43,;3.17,-2.43,)|
C[C@H]1[C@H](C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N
C[C@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r,wU:1.0,wD:26.30,(8.15,.4,;6.66,,;6.19,-1.46,;4.65,-1.46,;4.17,,;3.4,-1.33,;1.86,-1.33,;1.09,,;1.86,1.33,;3.4,1.33,;-.45,,;-1.22,-1.33,;-2.76,-1.33,;-3.53,-2.67,;-3.53,,;-2.76,1.33,;-3.53,2.67,;-1.22,1.33,;-5.07,,;-5.84,-1.33,;-7.38,-1.33,;-8.15,,;-7.38,1.33,;-8.15,2.67,;-5.84,1.33,;-5.07,2.67,;5.42,.91,;5.42,2.45,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(CN)CC1 |(-2.21,2.67,;-1.44,1.33,;.1,1.33,;.87,,;.1,-1.33,;-1.46,-1.38,;-2.23,-2.72,;-2.21,,;-3.75,,;-4.52,1.33,;-6.06,1.33,;-6.83,,;-6.06,-1.33,;-6.83,-2.67,;-4.43,-1.41,;-3.64,-2.73,;2.41,,;3.18,-1.33,;4.72,-1.33,;5.49,,;6.83,-.77,;6.83,.77,;6.83,2.31,;4.72,1.33,;3.18,1.33,)|
C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(N)n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r,wD:26.30,1.0,(8.28,1.52,;6.95,.75,;6.95,-.79,;5.48,-1.27,;4.58,-.02,;3.81,-1.36,;2.27,-1.36,;1.5,-.02,;2.27,1.31,;3.81,1.31,;-.04,-.02,;-.81,-1.36,;-2.38,-1.4,;-3.15,-2.74,;-3.12,-.02,;-2.35,1.31,;-3.12,2.65,;-.81,1.31,;-5.2,-.02,;-5.97,-1.36,;-7.51,-1.36,;-8.28,-.02,;-7.51,1.31,;-8.28,2.65,;-5.97,1.31,;-5.2,2.65,;5.48,1.22,;5.01,2.69,)|
Nc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(N)(O)CC1 |(-3.12,2.65,;-2.35,1.31,;-.81,1.31,;-.04,-.02,;-.81,-1.36,;-2.38,-1.4,;-3.15,-2.74,;-3.12,-.02,;-5.2,-.02,;-5.97,-1.36,;-7.51,-1.36,;-8.28,-.02,;-7.51,1.31,;-8.28,2.65,;-5.97,1.31,;-5.2,2.65,;1.5,-.02,;2.27,-1.36,;3.81,-1.36,;4.58,-.02,;5.35,-1.36,;6.12,-.02,;3.81,1.31,;2.27,1.31,)|
C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2ccccc2)[C@@H]1N |r|
N[C@@H]1CC(F)(F)CC11CCN(CC1)c1cc(=O)n(c(N)n1)-c1cccc(Cl)c1Cl |r,wD:1.0,(4.82,2.69,;5.3,1.22,;6.76,.75,;6.76,-.79,;8.25,-.39,;7.53,-2.13,;5.3,-1.27,;4.39,-.02,;3.62,-1.36,;2.08,-1.36,;1.31,-.02,;2.08,1.31,;3.62,1.31,;-.23,-.02,;-1,-1.36,;-2.54,-1.36,;-3.31,-2.69,;-3.31,-.02,;-2.54,1.31,;-3.31,2.65,;-1,1.31,;-5.17,-.76,;-5.94,-2.1,;-7.48,-2.1,;-8.25,-.76,;-7.48,.57,;-8.25,1.91,;-5.94,.57,;-5.17,1.91,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)C1=CCC(C)(CN)CC1 |t:18,(-2.87,-2.67,;-2.1,-1.33,;-.56,-1.33,;.21,,;-.56,1.33,;-2.13,1.38,;-2.9,2.72,;-2.87,,;-4.41,,;-5.18,1.33,;-6.72,1.33,;-7.49,,;-6.72,-1.33,;-7.49,-2.67,;-5.1,-1.41,;-4.31,-2.73,;1.75,,;2.52,-1.33,;4.06,-1.33,;4.83,,;6.16,.77,;6.16,-.77,;7.49,,;4.06,1.33,;2.52,1.33,)|
Cc1nc(N2CCC(C)(N)CC2)c(Cl)c(=O)n1-c1cccc(Cl)c1Cl |(-1.33,-14.63,;,-13.86,;,-12.32,;1.33,-11.55,;1.33,-10.01,;2.67,-9.24,;2.67,-7.7,;1.33,-6.93,;2.32,-5.75,;.34,-5.75,;,-7.7,;,-9.24,;2.67,-12.32,;4,-11.55,;2.67,-13.86,;4,-14.63,;1.33,-14.63,;1.33,-16.17,;,-16.94,;,-18.48,;1.33,-19.25,;2.67,-18.48,;4,-19.25,;2.67,-16.94,;4,-16.17,)|
CC1(N)CCN(CC1)c1cc(=O)n(c(n1)C(F)F)-c1cccc(Cl)c1Cl |(2.32,-5.75,;1.33,-6.93,;.34,-5.75,;2.67,-7.7,;2.67,-9.24,;1.33,-10.01,;,-9.24,;,-7.7,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-14.63,;1.33,-14.63,;,-13.86,;,-12.32,;-1.33,-14.63,;-2.67,-13.86,;-1.33,-16.17,;1.33,-16.17,;,-16.94,;,-18.48,;1.33,-19.25,;2.67,-18.48,;4,-19.25,;2.67,-16.94,;4,-16.17,)|
Cc1nc(N2CCC(C)(N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(,3.44,;,1.9,;1.33,1.13,;1.33,-.41,;2.67,-1.18,;2.67,-2.72,;4,-3.49,;5.33,-2.72,;5.73,-4.21,;6.67,-1.95,;5.33,-1.18,;4,-.41,;,-1.18,;,-2.72,;-1.33,-.41,;-2.67,-1.18,;-1.33,1.13,;-2.67,1.9,;-2.67,3.44,;-4,4.21,;-5.33,3.44,;-5.33,1.9,;-6.67,1.13,;-4,1.13,;-4,-.41,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CC2CN)CC1 |(-2.59,2.28,;-1.82,.95,;-.28,.95,;.49,-.38,;-.28,-1.72,;-1.82,-1.72,;-2.59,-3.05,;-2.59,-.38,;-4.13,-.38,;-4.9,.95,;-6.44,.95,;-7.21,-.38,;-6.44,-1.72,;-7.21,-3.05,;-4.9,-1.72,;-4.13,-3.05,;2.03,-.38,;2.8,-1.72,;4.34,-1.72,;5.11,-.39,;6.44,-1.16,;6.44,.38,;7.21,1.72,;6.44,3.05,;4.34,.95,;2.8,.95,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CC2CCCC2(CN)C1 |(-2.37,2.46,;-1.6,1.13,;-.06,1.13,;.71,-.21,;-.06,-1.54,;-1.6,-1.54,;-2.37,-2.87,;-2.37,-.21,;-3.91,-.21,;-4.68,1.13,;-6.22,1.13,;-6.99,-.21,;-6.22,-1.54,;-6.99,-2.87,;-4.68,-1.54,;-3.91,-2.87,;2.25,-.21,;3.16,-1.45,;4.62,-.98,;6.08,-1.45,;6.99,-.21,;6.08,1.04,;4.62,.56,;4.62,2.1,;3.29,2.87,;3.16,1.04,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CCCC2CN)CC1 |(-2.72,2.1,;-1.95,.77,;-.41,.77,;.36,-.57,;-.41,-1.9,;-1.95,-1.9,;-2.72,-3.23,;-2.72,-.57,;-4.26,-.57,;-5.03,.77,;-6.57,.77,;-7.34,-.57,;-6.57,-1.9,;-7.34,-3.23,;-5.03,-1.9,;-4.26,-3.23,;1.9,-.57,;2.67,-1.9,;4.21,-1.9,;4.98,-.57,;5.88,-1.81,;7.34,-1.34,;7.34,.2,;5.88,.68,;5.4,2.14,;6.49,3.23,;4.21,.77,;2.67,.77,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(CO)(CCN)CC1 |(-3.54,2.67,;-2.77,1.33,;-1.23,1.33,;-.46,,;-1.23,-1.33,;-2.77,-1.33,;-3.54,-2.67,;-3.54,,;-5.08,,;-5.85,1.33,;-7.39,1.33,;-8.16,,;-7.39,-1.33,;-8.16,-2.67,;-5.85,-1.33,;-5.08,-2.67,;1.08,,;1.85,-1.33,;3.39,-1.33,;4.16,,;5.25,-1.09,;4.85,-2.58,;5.49,.77,;6.83,,;8.16,.77,;3.39,1.33,;1.85,1.33,)|
CC1(CN)CCN(CC1)c1cc(=O)n(-c2cccc(Cl)c2Cl)c(n1)C(F)F |(5.07,-4.21,;4.67,-2.72,;6,-1.95,;7.34,-2.72,;3.33,-3.49,;2,-2.72,;2,-1.18,;3.33,-.41,;4.67,-1.18,;.67,-.41,;-.67,-1.18,;-2,-.41,;-3.33,-1.18,;-2,1.13,;-3.33,1.9,;-3.33,3.44,;-4.67,4.21,;-6,3.44,;-6,1.9,;-7.34,1.13,;-4.67,1.13,;-4.67,-.41,;-.67,1.9,;.67,1.13,;-.67,3.44,;-2,4.21,;.67,4.21,)|
Cc1nc(N2CCC(C)(CN)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(-.67,3.44,;-.67,1.9,;.67,1.13,;.67,-.41,;2,-1.18,;2,-2.72,;3.33,-3.49,;4.67,-2.72,;5.07,-4.21,;6,-1.95,;7.34,-2.72,;4.67,-1.18,;3.33,-.41,;-.67,-1.18,;-.67,-2.72,;-2,-.41,;-3.33,-1.18,;-2,1.13,;-3.33,1.9,;-3.33,3.44,;-4.67,4.21,;-6,3.44,;-6,1.9,;-7.34,1.13,;-4.67,1.13,;-4.67,-.41,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1C[C@H]2COCC[C@@]2(CN)C1 |r,wU:18.19,wD:23.26,(-2.52,2.94,;-1.75,1.6,;-.21,1.6,;.56,.27,;-.21,-1.06,;-1.75,-1.06,;-2.52,-2.4,;-2.52,.27,;-4.06,.27,;-4.83,1.6,;-6.37,1.6,;-7.14,.27,;-6.37,-1.06,;-7.14,-2.4,;-4.83,-1.06,;-4.06,-2.4,;2.1,.27,;3.01,1.52,;4.47,1.04,;5.8,1.81,;7.14,1.04,;7.14,-.5,;5.8,-1.27,;4.47,-.5,;4.31,-2.03,;5.56,-2.94,;3.01,-.98,)|
C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(-c3cccc(Cl)c3Cl)c(n2)C(F)F)[C@@H]1N |wD:28.32,1.0,(-1.25,-.91,;;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,2.1,;9.3,2.1,;10.07,3.44,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,-.56,;7.76,-.56,;10.07,-1.9,;9.3,-3.23,;11.61,-1.9,;1.46,-.48,;1.94,-1.94,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCCC(C)(N)CC1 |(10.07,-1.9,;9.3,-.56,;7.76,-.56,;6.99,.77,;7.76,2.1,;9.3,2.1,;10.07,3.44,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;5.45,.77,;4.68,2.1,;3.22,2.58,;1.81,1.95,;1.65,.42,;.22,-.15,;1.65,-1.12,;3.17,-.88,;4.68,-.56,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(N)(CC1)C(N)=O |(-2.95,2.67,;-2.18,1.33,;-.64,1.33,;.13,,;-.64,-1.33,;-2.18,-1.33,;-2.95,-2.67,;-2.95,,;-4.49,,;-5.26,1.33,;-6.8,1.33,;-7.57,,;-6.8,-1.33,;-7.57,-2.67,;-5.26,-1.33,;-4.49,-2.67,;1.67,,;2.44,-1.33,;3.98,-1.33,;4.75,,;6.08,-.77,;3.98,1.33,;2.44,1.33,;6.08,.77,;7.57,.37,;5.68,2.26,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wD:27.31,1.0,(8.15,.3,;6.66,-.1,;6.19,-1.57,;4.65,-1.57,;4.17,-.1,;3.4,-1.44,;1.86,-1.44,;1.09,-.1,;1.86,1.23,;3.4,1.23,;-.45,-.1,;-1.22,1.23,;-2.76,1.23,;-3.53,2.56,;-3.53,-.1,;-5.07,-.1,;-5.84,-1.44,;-7.38,-1.44,;-8.15,-.1,;-7.38,1.23,;-8.15,2.56,;-5.84,1.23,;-5.84,2.77,;-2.76,-1.44,;-3.53,-2.77,;-1.22,-1.44,;-.45,-2.77,;5.42,.8,;5.42,2.34,)|
C[C@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wU:1.0,wD:27.31,(8.15,.3,;6.66,-.1,;6.19,-1.57,;4.65,-1.57,;4.17,-.1,;3.4,-1.44,;1.86,-1.44,;1.09,-.1,;1.86,1.23,;3.4,1.23,;-.45,-.1,;-1.22,1.23,;-2.76,1.23,;-3.53,2.56,;-3.53,-.1,;-5.07,-.1,;-5.84,-1.44,;-7.38,-1.44,;-8.15,-.1,;-7.38,1.23,;-8.15,2.56,;-5.84,1.23,;-5.84,2.77,;-2.76,-1.44,;-3.53,-2.77,;-1.22,-1.44,;-.45,-2.77,;5.42,.8,;5.42,2.34,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C(F)(F)F)[C@@H]1N |r,wD:30.34,1.0,(7.99,-2.9,;6.45,-3.06,;5.68,-4.39,;4.18,-4.07,;4.02,-2.54,;2.68,-3.31,;1.35,-2.54,;1.35,-1,;2.68,-.23,;4.02,-1,;.02,-.23,;.02,1.31,;-1.32,2.08,;-1.32,3.62,;-2.65,1.31,;-3.98,2.08,;-3.98,3.62,;-5.32,4.39,;-6.65,3.62,;-6.65,2.08,;-7.99,1.31,;-5.32,1.31,;-5.32,-.23,;-2.65,-.23,;-3.98,-1,;-1.32,-1,;-1.32,-2.54,;-1.32,-4.08,;-2.65,-3.31,;.02,-3.31,;5.42,-1.91,;5.74,-.41,)|
Cc1nc(N2C[C@@H]3CCC[C@]3(CN)C2)c(c(=O)n1-c1cccc(Cl)c1Cl)C(F)(F)F |r,wU:6.5,wD:10.11,(-.05,3.47,;-.05,1.93,;1.28,1.15,;1.28,-.38,;2.62,-1.15,;2.78,-2.69,;4.28,-3.01,;5.31,-4.15,;6.72,-3.52,;6.56,-1.99,;5.05,-1.67,;5.82,-.34,;5.05,.99,;4.02,-.53,;-.05,-1.15,;-1.39,-.38,;-2.72,-1.15,;-1.39,1.15,;-2.72,1.93,;-2.72,3.47,;-4.05,4.23,;-5.39,3.47,;-5.39,1.93,;-6.72,1.15,;-4.05,1.15,;-4.05,-.38,;-.05,-2.69,;-.05,-4.23,;-1.39,-3.47,;1.28,-3.47,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(N)(CCO)CC1 |(-3.47,2.67,;-2.69,1.33,;-1.15,1.33,;-.38,,;-1.16,-1.33,;-2.69,-1.33,;-3.47,-2.67,;-3.47,,;-5,,;-5.78,1.33,;-7.32,1.33,;-8.08,,;-7.31,-1.33,;-8.08,-2.67,;-5.78,-1.33,;-5,-2.67,;1.15,,;1.93,-1.33,;3.46,-1.33,;4.23,,;5,1.33,;5.78,,;6.54,-1.33,;8.08,-1.33,;3.47,1.33,;1.93,1.33,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@H]2N)CC1 |r,wD:23.26,(-2.79,2.67,;-2.02,1.33,;-.48,1.33,;.29,,;-.48,-1.33,;-2.02,-1.33,;-2.79,-2.67,;-2.79,,;-4.33,,;-5.1,1.33,;-6.64,1.33,;-7.41,,;-6.64,-1.33,;-7.41,-2.67,;-5.1,-1.33,;-4.33,-2.67,;1.83,,;2.6,-1.33,;4.14,-1.33,;4.91,,;5.39,-1.46,;6.93,-1.46,;7.41,,;6.16,.91,;6.16,2.45,;4.14,1.33,;2.6,1.33,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(O)(CN)CC1 |(-1.61,2.95,;-1.21,1.46,;.28,1.07,;.68,-.42,;-.41,-1.51,;-1.9,-1.11,;-2.99,-2.2,;-2.3,.38,;-3.78,.77,;-4.18,2.26,;-5.67,2.66,;-6.76,1.57,;-6.36,.08,;-7.45,-1.01,;-4.87,-.32,;-4.48,-1.8,;2.17,-.82,;2.56,-2.31,;4.05,-2.71,;5.14,-1.62,;6.47,-.85,;5.91,-2.95,;7.45,-2.95,;4.74,-.13,;3.25,.27,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(N)(CO)CC1 |(-1.61,2.95,;-1.21,1.46,;.28,1.07,;.68,-.42,;-.41,-1.51,;-1.9,-1.11,;-2.99,-2.2,;-2.3,.38,;-3.78,.77,;-4.18,2.26,;-5.67,2.66,;-6.76,1.57,;-6.36,.08,;-7.45,-1.01,;-4.87,-.32,;-4.48,-1.8,;2.17,-.82,;2.56,-2.31,;4.05,-2.71,;5.14,-1.62,;6.47,-.85,;5.91,-2.95,;7.45,-2.95,;4.74,-.13,;3.25,.27,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CC[C@@H](N)[C@@H](O)C1 |r,wD:19.21,21.23,(-2.31,-2.67,;-1.54,-1.33,;,-1.33,;.77,,;,1.33,;-1.54,1.33,;-2.31,2.67,;-2.31,,;-3.85,,;-4.62,1.33,;-6.16,1.33,;-6.93,,;-6.16,-1.33,;-6.93,-2.67,;-4.62,-1.33,;-3.85,-2.67,;2.31,,;3.08,-1.33,;4.62,-1.33,;5.39,,;6.93,,;4.62,1.33,;5.39,2.67,;3.08,1.33,)|
CNC1(C)CCN(CC1)c1cc(=O)n(c(C)n1)-c1cccc(Cl)c1Cl |(7.35,-2.18,;6.58,-.85,;5.24,-1.62,;6.01,-2.95,;4.15,-2.71,;2.67,-2.31,;2.27,-.82,;3.36,.27,;4.84,-.13,;.78,-.42,;-.31,-1.51,;-1.8,-1.11,;-2.88,-2.2,;-2.19,.38,;-1.11,1.46,;-1.5,2.95,;.38,1.07,;-3.68,.77,;-4.08,2.26,;-5.57,2.66,;-6.66,1.57,;-6.26,.08,;-7.35,-1.01,;-4.77,-.32,;-4.37,-1.8,)|
C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2c(F)ccc(Cl)c2Cl)[C@@H]1N |wD:27.31,1.0,(-1.25,-.91,;;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,2.1,;9.3,2.1,;10.07,3.44,;10.07,.77,;9.3,-.56,;10.07,-1.9,;7.76,-.56,;11.61,.77,;12.38,-.56,;11.61,-1.9,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;1.46,-.48,;1.94,-1.94,)|
C[C@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2c(F)ccc(Cl)c2Cl)[C@@H]1N |wU:1.0,wD:27.31,(-1.25,-.91,;0,,;0,1.54,;1.47,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,2.1,;9.3,2.1,;10.07,3.44,;10.07,.77,;9.3,-.56,;10.07,-1.9,;7.76,-.56,;11.61,.77,;12.38,-.56,;11.61,-1.9,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;1.47,-.48,;1.94,-1.94,)|
Cc1nc(cc(=O)n1-c1c(F)ccc(Cl)c1Cl)N1CCC(C)(CN)CC1 |(-1.33,-14.63,;,-13.86,;,-12.32,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-14.63,;1.33,-14.63,;1.33,-16.17,;,-16.94,;-1.33,-16.17,;,-18.48,;1.33,-19.25,;2.67,-18.48,;4,-19.25,;2.67,-16.94,;4,-16.17,;1.33,-10.01,;2.67,-9.24,;2.67,-7.7,;1.33,-6.93,;2.32,-5.75,;.34,-5.75,;.87,-4.3,;,-7.7,;,-9.24,)|
Cc1nc(N2C[C@H]3COC[C@@]3(CN)C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:6.5,wD:10.11,(-.05,4.18,;-.05,2.64,;1.28,1.87,;1.28,.33,;2.62,-.44,;4.02,.19,;5.05,-.95,;6.56,-1.27,;6.72,-2.81,;5.31,-3.43,;4.28,-2.29,;3.51,-3.62,;4.28,-4.95,;2.78,-1.97,;-.05,-.44,;-.05,-1.98,;-1.39,.33,;-2.72,-.44,;-1.39,1.87,;-2.72,2.64,;-2.72,4.18,;-4.05,4.95,;-5.39,4.18,;-5.39,2.64,;-6.72,1.87,;-4.05,1.87,;-4.05,.33,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CCC2N)CC1 |(-1.5,2.95,;-1.11,1.46,;.38,1.07,;.78,-.42,;-.31,-1.51,;-1.8,-1.11,;-2.88,-2.2,;-2.19,.38,;-3.68,.77,;-4.08,2.26,;-5.57,2.66,;-6.66,1.57,;-6.26,.08,;-7.35,-1.01,;-4.77,-.32,;-4.37,-1.8,;2.27,-.82,;2.67,-2.31,;4.15,-2.71,;5.24,-1.62,;6.01,-2.95,;7.35,-2.18,;6.58,-.85,;6.98,.64,;4.84,-.13,;3.36,.27,)|
CCc1c(nc(C)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r,wD:26.29,24.26,(-.73,-3.37,;.04,-2.04,;-.73,-.71,;.04,.63,;-.73,1.96,;-2.27,1.96,;-3.04,3.3,;-3.04,.63,;-4.58,.63,;-5.35,1.96,;-6.89,1.96,;-7.66,.63,;-6.89,-.71,;-7.66,-2.04,;-5.35,-.71,;-4.58,-2.04,;-2.27,-.71,;-3.04,-2.04,;1.58,.63,;2.35,-.71,;3.89,-.71,;4.66,.63,;5.75,-.46,;7.13,.24,;6.89,1.76,;7.66,3.09,;5.36,2,;4.66,3.37,;3.89,1.96,;2.35,1.96,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)n2)[C@@H]1N |wD:26.30,1.0,(-1.25,-.91,;;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;7.76,2.1,;1.46,-.48,;1.94,-1.94,)|
C[C@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)n2)[C@@H]1N |wU:1.0,wD:26.30,(-1.25,-.91,;0,,;0,1.54,;1.47,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;7.76,2.1,;1.47,-.48,;1.94,-1.94,)|
Cc1nc(cc(=O)n1-c1cccc(c1Cl)C(F)(F)F)N1CCC(C)(CN)CC1 |(-1.33,-14.63,;,-13.86,;,-12.32,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-14.63,;1.33,-14.63,;1.33,-16.17,;,-16.94,;,-18.48,;1.33,-19.25,;2.67,-18.48,;2.67,-16.94,;4,-16.17,;4,-19.25,;5.33,-20.02,;3.23,-20.58,;4.77,-17.92,;1.33,-10.01,;2.67,-9.24,;2.67,-7.7,;1.33,-6.93,;2.32,-5.75,;.34,-5.75,;.87,-4.3,;,-7.7,;,-9.24,)|
Cc1nc(N2CCC(C)(N)CC2)c(C)c(=O)n1-c1ccc2ccccc2c1
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(CC1)NC[C@@H](O)CO |r,wD:24.27,(-3.33,3.08,;-3.33,1.54,;-2,.77,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.67,1.54,;-8.67,3.08,;-7.34,3.85,;-7.34,5.39,;-6,3.08,;-4.67,3.85,;-.67,-1.54,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;3.33,-3.85,;4.67,-3.08,;6,-3.85,;6,-5.39,;7.34,-3.08,;8.67,-3.85,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(CC1)NC[C@H](O)CO |r,wU:24.27,(-3.33,3.08,;-3.33,1.54,;-2,.77,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.67,1.54,;-8.67,3.08,;-7.34,3.85,;-7.34,5.39,;-6,3.08,;-4.67,3.85,;-.67,-1.54,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;3.33,-3.85,;4.67,-3.08,;6,-3.85,;6,-5.39,;7.34,-3.08,;8.67,-3.85,)|
Cc1nc(N2CCC(C)(N)CC2)c(C)c(=O)n1-c1cccc2ncsc12 |(3.45,3.85,;4.79,4.62,;4.79,6.16,;6.12,6.93,;6.12,8.47,;7.45,9.24,;7.45,10.78,;6.12,11.55,;7.11,12.73,;5.13,12.73,;4.79,10.78,;4.79,9.24,;7.45,6.16,;8.79,6.93,;7.45,4.62,;8.79,3.85,;6.12,3.85,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,)|
Cc1nc(N2CCC(C)(CN)CC2)c(C)c(=O)n1-c1ccc2ccccc2c1
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc4ccccc4c3)c(=O)c2C)[C@@H]1N
COCC(O)CNC1CCN(CC1)c1cc(=O)n(c(C)n1)-c1cccc(Cl)c1Cl |(9.34,-3.08,;8,-3.85,;6.67,-3.08,;5.33,-3.85,;5.33,-5.39,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;1.33,-1.54,;-2.67,-.77,;-4,-1.54,;-5.33,-.77,;-6.67,-1.54,;-5.33,.77,;-4,1.54,;-4,3.08,;-2.67,.77,;-6.67,1.54,;-8,.77,;-9.34,1.54,;-9.34,3.08,;-8,3.85,;-8,5.39,;-6.67,3.08,;-5.33,3.85,)|
Cc1nc(N2CCC(C)(N)CC2)c(C)c(=O)n1-c1ccc2nccnc2c1
Cc1nc(N2CCC(C)(N)CC2)c(C)c(=O)n1-c1ccc2ccccc2c1Cl |(-1.33,-2.31,;-1.33,-.77,;-2.67,,;-2.67,1.54,;-4,2.31,;-4,3.85,;-5.33,4.62,;-6.67,3.85,;-7.2,5.3,;-8.18,3.58,;-6.67,2.31,;-5.33,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;1.33,2.31,;;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;2.67,1.54,)|
CC(C)c1c(nc(C)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |wD:27.30,25.27,(7.76,4.77,;6.99,3.44,;5.45,3.44,;7.76,2.1,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;5.45,.77,;4.68,2.1,;3.14,2.1,;2.37,.77,;1.46,2.02,;,1.54,;;-1.25,-.91,;1.46,-.48,;1.94,-1.94,;3.14,-.56,;4.68,-.56,)|
CC(C)c1c(nc(C)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CO[C@H](C)[C@H]2N)CC1 |wU:25.27,wD:27.30,(7.76,4.77,;6.99,3.44,;5.45,3.44,;7.76,2.1,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;5.45,.77,;4.68,2.1,;3.14,2.1,;2.37,.77,;1.47,2.02,;0,1.54,;0,0,;-1.25,-.91,;1.47,-.48,;1.94,-1.94,;3.14,-.56,;4.68,-.56,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(CC1)NCC1CCC(O)CC1 |(-5.54,2.46,;-4.77,1.13,;-3.23,1.13,;-2.46,-.21,;-3.23,-1.54,;-4.77,-1.54,;-5.54,-2.87,;-5.54,-.21,;-7.08,-.21,;-7.85,1.13,;-9.39,1.13,;-10.16,-.21,;-9.39,-1.54,;-10.16,-2.87,;-7.85,-1.54,;-7.08,-2.87,;-.92,-.21,;-.15,-1.54,;1.39,-1.54,;2.16,-.21,;3.49,-.98,;1.39,1.13,;-.15,1.13,;3.49,.56,;4.83,-.21,;6.16,.56,;7.49,-.21,;8.83,.56,;8.83,2.1,;10.16,2.87,;7.49,2.87,;6.16,2.1,)|
Cc1nc(N2CCc3cccc(N)c3C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(-.67,3.08,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;6,-.77,;6,.77,;4.67,-1.54,;3.33,-.77,;-.67,-1.54,;-.67,-3.08,;-2,-.77,;-3.33,-1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-6,1.54,;-7.34,.77,;-4.67,.77,;-4.67,-.77,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc4ccccc4c3Cl)c(=O)c2C)[C@@H]1N |wD:30.35,1.0,(-10.64,4.21,;-9.11,4.37,;-8.34,5.7,;-6.83,5.38,;-6.67,3.85,;-5.33,4.62,;-4,3.85,;-4,2.31,;-5.33,1.54,;-6.67,2.31,;-2.67,1.54,;-2.67,,;-1.33,-.77,;-1.33,-2.31,;;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;2.67,1.54,;,1.54,;1.33,2.31,;-1.33,2.31,;-1.33,3.85,;-8.08,3.22,;-8.4,1.72,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc4nccnc4c3)c(=O)c2C)[C@@H]1N
Cc1nc(N2CCC(C)(CN)CC2)c(C)c(=O)n1-c1ccc2ccccc2c1Cl |(-1.33,-2.31,;-1.33,-.77,;-2.67,,;-2.67,1.54,;-4,2.31,;-4,3.85,;-5.33,4.62,;-6.67,3.85,;-7.2,5.3,;-8.18,3.58,;-9.17,4.76,;-6.67,2.31,;-5.33,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;1.33,2.31,;;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;2.67,1.54,)|
Cc1nc(N2CCC(C)(CN)CC2)c(C)c(=O)n1-c1ccc2nccnc2c1
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CC2CCC(C1)N2 |(8.29,-1.28,;7.52,.05,;5.98,.05,;5.21,1.39,;5.98,2.72,;7.52,2.72,;8.29,4.05,;8.29,1.39,;9.83,1.39,;10.6,.05,;12.14,.05,;12.91,1.39,;12.14,2.72,;12.91,4.05,;10.6,2.72,;9.83,4.05,;3.67,1.39,;3,2.78,;1.5,3.12,;.3,2.16,;.3,.62,;1.5,-.34,;3,0,;1.93,1.39,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(CC1)[C@H](O)CN |wD:23.26,(-1.33,-14.63,;,-13.86,;,-12.32,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-14.63,;1.33,-14.63,;1.33,-16.17,;,-16.94,;,-18.48,;1.33,-19.25,;2.67,-18.48,;4,-19.25,;2.67,-16.94,;4,-16.17,;1.33,-10.01,;2.67,-9.24,;2.67,-7.7,;1.33,-6.93,;2.32,-5.75,;,-7.7,;,-9.24,;.34,-5.75,;-1.17,-6.02,;.87,-4.3,;-.12,-3.12,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(CC1)[C@@H](O)CN |wU:23.26,(-1.33,-14.63,;,-13.86,;,-12.32,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-14.63,;1.33,-14.63,;1.33,-16.17,;,-16.94,;,-18.48,;1.33,-19.25,;2.67,-18.48,;4,-19.25,;2.67,-16.94,;4,-16.17,;1.33,-10.01,;2.67,-9.24,;2.67,-7.7,;1.33,-6.93,;2.32,-5.75,;,-7.7,;,-9.24,;.34,-5.75,;-1.17,-6.02,;.87,-4.3,;-.12,-3.12,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCCC(N)(CC(F)F)CCC1 |(-1.33,-14.63,;,-13.86,;,-12.32,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-14.63,;1.33,-14.63,;1.33,-16.17,;,-16.94,;,-18.48,;1.33,-19.25,;2.67,-18.48,;4,-19.25,;2.67,-16.94,;4,-16.17,;1.33,-10.01,;,-9.24,;-.48,-7.78,;.29,-6.44,;1.8,-6.12,;3.13,-5.35,;1.25,-4.68,;-.27,-4.44,;-1.24,-5.64,;-.82,-3.01,;3.05,-7.03,;3.37,-8.53,;3,-9.52,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1C[C@H]2CC(O)C[C@@]2(CN)C1 |wU:18.19,wD:23.26,(-5.53,1.42,;-4.76,.09,;-3.22,.09,;-2.45,-1.25,;-3.22,-2.58,;-4.76,-2.58,;-5.53,-3.91,;-5.53,-1.25,;-7.07,-1.25,;-7.84,.09,;-9.38,.09,;-10.15,-1.25,;-9.38,-2.58,;-10.15,-3.91,;-7.84,-2.58,;-7.07,-3.91,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;5.37,-1.25,;2.93,-2.49,;1.46,-2.02,;1.46,-3.56,;.13,-4.33,;,-2.49,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CC2CC3CC(C3(C)C)C2(CN)C1 |(-5.37,2.16,;-4.79,.73,;-3.26,.52,;-2.69,-.91,;-3.63,-2.12,;-5.16,-1.91,;-6.1,-3.13,;-5.74,-.48,;-7.26,-.27,;-7.84,1.16,;-9.37,1.37,;-10.31,.15,;-9.73,-1.27,;-10.68,-2.49,;-8.21,-1.49,;-7.63,-2.91,;-1.16,-1.12,;-.44,-2.48,;1.08,-2.21,;2.3,-3.16,;3.72,-2.58,;2.91,-1.47,;2.72,-.11,;3.93,-1.05,;4.92,.13,;5.47,-1.21,;1.29,-.69,;1.34,.85,;.04,1.67,;-.09,-.01,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCN2C(CC(N)C2=O)C1 |(-5.37,2.16,;-4.79,.73,;-3.26,.52,;-2.69,-.91,;-3.63,-2.12,;-5.16,-1.91,;-6.1,-3.13,;-5.74,-.48,;-7.26,-.27,;-7.84,1.16,;-9.37,1.37,;-10.31,.15,;-9.73,-1.27,;-10.68,-2.49,;-8.21,-1.49,;-7.63,-2.91,;-1.16,-1.12,;-.26,.12,;1.28,-.04,;1.9,-1.44,;1,-2.69,;1.9,-3.94,;3.37,-3.46,;4.61,-4.37,;3.37,-1.92,;4.61,-1.01,;-.53,-2.53,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@H]2N)CC1 |wD:23.26,(10.07,-1.9,;9.3,-.56,;7.76,-.56,;6.99,.77,;7.76,2.1,;9.3,2.1,;10.07,3.44,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;5.45,.77,;4.68,2.1,;3.14,2.1,;2.37,.77,;1.47,2.02,;0,1.54,;0,,;1.47,-.48,;1.94,-1.94,;3.14,-.56,;4.68,-.56,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@@H]2N)CC1 |wU:23.26,(10.07,-1.9,;9.3,-.56,;7.76,-.56,;6.99,.77,;7.76,2.1,;9.3,2.1,;10.07,3.44,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;5.45,.77,;4.68,2.1,;3.14,2.1,;2.37,.77,;1.47,2.02,;0,1.54,;0,,;1.47,-.48,;1.94,-1.94,;3.14,-.56,;4.68,-.56,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wD:27.31,1.0,(7.31,-3.02,;5.85,-3.49,;5.37,-4.96,;3.83,-4.96,;3.36,-3.49,;2.02,-4.26,;.69,-3.49,;.69,-1.95,;2.02,-1.18,;3.36,-1.95,;-.64,-1.18,;-.64,.36,;-1.98,1.13,;-1.98,2.67,;-3.31,.36,;-4.65,1.13,;-5.98,.36,;-7.31,1.13,;-7.31,2.67,;-5.98,3.44,;-5.98,4.98,;-4.65,2.67,;-3.31,3.44,;-3.31,-1.18,;-4.65,-1.95,;-1.98,-1.95,;-1.98,-3.49,;4.6,-2.59,;4.6,-1.05,)|
C[C@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wU:1.0,wD:27.31,(7.31,-3.02,;5.85,-3.49,;5.37,-4.96,;3.83,-4.96,;3.36,-3.49,;2.02,-4.26,;.69,-3.49,;.69,-1.95,;2.02,-1.18,;3.36,-1.95,;-.64,-1.18,;-.64,.36,;-1.98,1.13,;-1.98,2.67,;-3.31,.36,;-4.65,1.13,;-5.98,.36,;-7.31,1.13,;-7.31,2.67,;-5.98,3.44,;-5.98,4.98,;-4.65,2.67,;-3.31,3.44,;-3.31,-1.18,;-4.65,-1.95,;-1.98,-1.95,;-1.98,-3.49,;4.6,-2.59,;4.6,-1.05,)|
Cc1nc(N2CCC3(Cc4ncccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:15.17,(-3.34,2.87,;-2.94,1.38,;-1.45,.98,;-1.05,-.51,;.44,-.91,;.83,-2.39,;2.32,-2.79,;3.41,-1.7,;4,-3.13,;5.54,-3,;6.65,-4.06,;8.13,-3.62,;8.49,-2.13,;7.37,-1.07,;5.89,-1.51,;4.58,-.7,;4.58,.84,;3.01,-.22,;1.52,.18,;-2.14,-1.6,;-1.74,-3.08,;-3.63,-1.2,;-4.72,-2.29,;-4.03,.29,;-5.51,.69,;-6.6,-.4,;-8.09,-0,;-8.49,1.49,;-7.4,2.57,;-7.8,4.06,;-5.91,2.18,;-4.82,3.26,)|
Cc1nc(N2CCC3(Cc4ncccc4[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:15.17,(-3.34,2.87,;-2.94,1.38,;-1.45,.98,;-1.05,-.51,;.44,-.91,;.83,-2.39,;2.32,-2.79,;3.41,-1.7,;4,-3.13,;5.54,-3,;6.65,-4.06,;8.13,-3.62,;8.49,-2.13,;7.37,-1.07,;5.89,-1.51,;4.58,-.7,;4.58,.84,;3.01,-.22,;1.52,.18,;-2.14,-1.6,;-1.74,-3.08,;-3.63,-1.2,;-4.72,-2.29,;-4.03,.29,;-5.51,.69,;-6.6,-.4,;-8.09,-0,;-8.49,1.49,;-7.4,2.57,;-7.8,4.06,;-5.91,2.18,;-4.82,3.26,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wD:11.12,(10.07,-1.9,;9.3,-.56,;7.76,-.56,;6.99,.77,;5.45,.77,;4.68,2.1,;3.14,2.1,;2.37,.77,;1.46,2.02,;,1.54,;;1.46,-.48,;1.94,-1.94,;3.14,-.56,;4.68,-.56,;7.76,2.1,;6.99,3.44,;9.3,2.1,;10.07,3.44,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,)|
Cc1nc(N2CCC3(CCC[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wU:11.12,(10.07,-1.9,;9.3,-.56,;7.76,-.56,;6.99,.77,;5.45,.77,;4.68,2.1,;3.14,2.1,;2.37,.77,;1.47,2.02,;0,1.54,;0,,;1.47,-.48,;1.94,-1.94,;3.14,-.56,;4.68,-.56,;7.76,2.1,;6.99,3.44,;9.3,2.1,;10.07,3.44,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,)|
Cc1c(ncn(-c2cccc(Cl)c2Cl)c1=O)N1CCC(C)(N)CC1
Cc1nc(C)n(-c2cccc(Cl)c2Cl)c(=O)c1NC1CCC(C)(N)CC1 |(14.67,2.31,;13.34,1.54,;12,2.31,;10.67,1.54,;9.34,2.31,;10.67,,;9.34,-.77,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;8,,;8,1.54,;12,-.77,;12,-2.31,;13.34,,;14.67,-.77,;14.67,-2.31,;16,-3.08,;16,-4.62,;14.67,-5.39,;15.39,-6.75,;13.95,-6.75,;13.34,-4.62,;13.34,-3.08,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(CC1)N1CC[C@@H](O)C1 |wD:26.29,(1.41,15.73,;.6,14.42,;1.32,13.06,;.5,11.76,;-1.04,11.81,;-1.76,13.17,;-3.3,13.22,;-.94,14.48,;-1.67,15.83,;-3.21,15.89,;-3.93,17.25,;-3.11,18.55,;-1.57,18.5,;-.76,19.81,;-.85,17.14,;.69,17.09,;1.23,10.4,;2.76,10.34,;3.49,8.98,;2.67,7.68,;3.95,6.82,;1.13,7.73,;.41,9.09,;2.67,6.14,;1.43,5.23,;1.9,3.77,;3.44,3.77,;4.35,2.52,;3.92,5.23,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(CC1)N1CC[C@H](O)C1 |wU:26.29,(1.41,15.73,;.6,14.42,;1.32,13.06,;.5,11.76,;-1.04,11.81,;-1.76,13.17,;-3.3,13.22,;-.94,14.48,;-1.67,15.84,;-3.21,15.89,;-3.93,17.25,;-3.11,18.56,;-1.57,18.5,;-.76,19.81,;-.85,17.14,;.69,17.09,;1.23,10.4,;2.76,10.34,;3.49,8.98,;2.67,7.68,;3.95,6.82,;1.13,7.73,;.41,9.09,;2.67,6.14,;1.43,5.23,;1.9,3.77,;3.44,3.77,;4.35,2.52,;3.92,5.23,)|
COc1c(nc(C)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |wD:26.29,24.26,(7.76,4.77,;6.99,3.44,;7.76,2.1,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;5.45,.77,;4.68,2.1,;3.14,2.1,;2.37,.77,;1.46,2.02,;,1.54,;;-1.25,-.91,;1.46,-.48,;1.94,-1.94,;3.14,-.56,;4.68,-.56,)|
COc1c(nc(C)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CO[C@@H](C)[C@@H]2N)CC1 |wU:26.29,wD:24.26,(7.76,4.77,;6.99,3.44,;7.76,2.1,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;5.45,.77,;4.68,2.1,;3.14,2.1,;2.37,.77,;1.47,2.02,;0,1.54,;0,0,;-1.25,-.91,;1.47,-.48,;1.94,-1.94,;3.14,-.56,;4.68,-.56,)|
Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:15.17,(-3.34,2.87,;-2.94,1.38,;-1.45,.98,;-1.05,-.51,;.44,-.91,;.83,-2.39,;2.32,-2.79,;3.41,-1.7,;4,-3.13,;5.54,-3,;6.65,-4.06,;8.13,-3.62,;8.49,-2.13,;7.37,-1.07,;5.89,-1.51,;4.58,-.7,;4.58,.84,;3.01,-.22,;1.52,.18,;-2.14,-1.6,;-1.74,-3.08,;-3.63,-1.2,;-4.72,-2.29,;-4.03,.29,;-5.51,.69,;-6.6,-.4,;-8.09,-0,;-8.49,1.49,;-7.4,2.57,;-7.8,4.06,;-5.91,2.18,;-4.82,3.26,)|
Cc1nc(N2CCC3(Cc4ccccc4[C@@H]3N)CC2)c(C)c(=O)n1C1=CC=C[C@H](Cl)C1Cl |r,c:30,t:28|
Cc1nc(N2CCC3(Cc4ccccc4[C@@H]3N)CC2)c(C)c(=O)n1C1=C(Cl)C(Cl)=CCC1 |r,c:28,32|
Cc1nc(N2CCC3(Cc4ccccc4[C@@H]3N)CC2)c(C)c(=O)n1C1=CC=C[C@H](Cl)[C@@H]1Cl |r,c:30,t:28|
Cc1nc(N2CCC3(CC2)[C@H](N)Cc2cccnc32)c(C)c(=O)n1[C@H]1CCCC(Cl)=C1Cl |r,c:33|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2CCO)[C@@H]1N |wD:29.33,1.0,(-1.25,-.91,;;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;7.76,2.1,;6.99,3.44,;5.45,3.44,;4.68,4.77,;1.46,-.48,;1.94,-1.94,)|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(C)n(C2CCCC(Cl)=C2Cl)c(=O)c1C |r,c:24|
Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CCC[C@@H]2N)CC1 |wD:24.27,(6.99,3.44,;7.76,2.1,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;5.45,.77,;4.68,-.56,;3.14,-.56,;2.37,.77,;1.46,-.48,;;,1.54,;1.46,2.02,;1.94,3.48,;3.14,2.1,;4.68,2.1,)|
Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CCC[C@H]2N)CC1 |wU:24.27,(6.99,3.44,;7.76,2.1,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;5.45,.77,;4.68,-.56,;3.14,-.56,;2.37,.77,;1.46,-.48,;;,1.54,;1.46,2.02,;1.94,3.48,;3.14,2.1,;4.68,2.1,)|
Cc1nc(N2CCC3(CC2)Oc2ncccc2[C@@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wD:17.20,(-7.45,-1.1,;-6.68,-2.44,;-5.14,-2.44,;-4.37,-3.77,;-2.83,-3.77,;-2.06,-5.1,;-.52,-5.1,;.25,-3.77,;-.52,-2.44,;-2.06,-2.44,;1.16,-2.53,;2.62,-3,;3.96,-2.23,;5.29,-3,;5.29,-4.54,;3.96,-5.31,;2.62,-4.54,;1.16,-5.02,;.68,-6.48,;-5.14,-5.1,;-4.37,-6.44,;-6.68,-5.1,;-7.45,-6.44,;-7.45,-3.77,;-8.99,-3.77,;-9.76,-2.44,;-11.3,-2.44,;-12.07,-3.77,;-11.3,-5.1,;-12.07,-6.44,;-9.76,-5.1,;-8.99,-6.44,)|
Cc1nc(N2CCC3(CC2)Oc2ncccc2[C@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wU:17.20,(-7.45,-1.1,;-6.68,-2.44,;-5.14,-2.44,;-4.37,-3.77,;-2.83,-3.77,;-2.06,-5.1,;-.52,-5.1,;.25,-3.77,;-.52,-2.44,;-2.06,-2.44,;1.16,-2.53,;2.62,-3,;3.96,-2.23,;5.29,-3,;5.29,-4.54,;3.96,-5.31,;2.62,-4.54,;1.16,-5.02,;.68,-6.48,;-5.14,-5.1,;-4.37,-6.44,;-6.68,-5.1,;-7.45,-6.44,;-7.45,-3.77,;-8.99,-3.77,;-9.76,-2.44,;-11.3,-2.44,;-12.07,-3.77,;-11.3,-5.1,;-12.07,-6.44,;-9.76,-5.1,;-8.99,-6.44,)|
Cc1nc(N2CCC3(CC2)Oc2cnccc2[C@@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wD:17.20,(-7.45,-1.1,;-6.68,-2.44,;-5.14,-2.44,;-4.37,-3.77,;-2.83,-3.77,;-2.06,-5.1,;-.52,-5.1,;.25,-3.77,;-.52,-2.44,;-2.06,-2.44,;1.16,-2.53,;2.62,-3,;3.96,-2.23,;5.29,-3,;5.29,-4.54,;3.96,-5.31,;2.62,-4.54,;1.16,-5.02,;.68,-6.48,;-5.14,-5.1,;-4.37,-6.44,;-6.68,-5.1,;-7.45,-6.44,;-7.45,-3.77,;-8.99,-3.77,;-9.76,-2.44,;-11.3,-2.44,;-12.07,-3.77,;-11.3,-5.1,;-12.07,-6.44,;-9.76,-5.1,;-8.99,-6.44,)|
Cc1nc(N2CCC3(CC2)Oc2cnccc2[C@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wU:17.20,(-7.45,-1.1,;-6.68,-2.44,;-5.14,-2.44,;-4.37,-3.77,;-2.83,-3.77,;-2.06,-5.1,;-.52,-5.1,;.25,-3.77,;-.52,-2.44,;-2.06,-2.44,;1.16,-2.53,;2.62,-3,;3.96,-2.23,;5.29,-3,;5.29,-4.54,;3.96,-5.31,;2.62,-4.54,;1.16,-5.02,;.68,-6.48,;-5.14,-5.1,;-4.37,-6.44,;-6.68,-5.1,;-7.45,-6.44,;-7.45,-3.77,;-8.99,-3.77,;-9.76,-2.44,;-11.3,-2.44,;-12.07,-3.77,;-11.3,-5.1,;-12.07,-6.44,;-9.76,-5.1,;-8.99,-6.44,)|
Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wD:17.20,(-7.45,-1.1,;-6.68,-2.44,;-5.14,-2.44,;-4.37,-3.77,;-2.83,-3.77,;-2.06,-5.1,;-.52,-5.1,;.25,-3.77,;-.52,-2.44,;-2.06,-2.44,;1.16,-2.53,;2.62,-3,;3.96,-2.23,;5.29,-3,;5.29,-4.54,;3.96,-5.31,;2.62,-4.54,;1.16,-5.02,;.68,-6.48,;-5.14,-5.1,;-4.37,-6.44,;-6.68,-5.1,;-7.45,-6.44,;-7.45,-3.77,;-8.99,-3.77,;-9.76,-2.44,;-11.3,-2.44,;-12.07,-3.77,;-11.3,-5.1,;-12.07,-6.44,;-9.76,-5.1,;-8.99,-6.44,)|
Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wU:17.20,(-7.45,-1.1,;-6.68,-2.44,;-5.14,-2.44,;-4.37,-3.77,;-2.83,-3.77,;-2.06,-5.1,;-.52,-5.1,;.25,-3.77,;-.52,-2.44,;-2.06,-2.44,;1.16,-2.53,;2.62,-3,;3.96,-2.23,;5.29,-3,;5.29,-4.54,;3.96,-5.31,;2.62,-4.54,;1.16,-5.02,;.68,-6.48,;-5.14,-5.1,;-4.37,-6.44,;-6.68,-5.1,;-7.45,-6.44,;-7.45,-3.77,;-8.99,-3.77,;-9.76,-2.44,;-11.3,-2.44,;-12.07,-3.77,;-11.3,-5.1,;-12.07,-6.44,;-9.76,-5.1,;-8.99,-6.44,)|
Cc1nc(N2CCC3(CCC3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(9.56,-1.9,;8.79,-.56,;7.25,-.56,;6.48,.77,;4.94,.77,;4.17,2.1,;2.63,2.1,;1.86,.77,;.77,1.86,;-.32,.77,;.77,-.32,;.77,-1.86,;2.63,-.56,;4.17,-.56,;7.25,2.1,;6.48,3.44,;8.79,2.1,;9.56,3.44,;9.56,.77,;11.1,.77,;11.87,-.56,;13.41,-.56,;14.18,.77,;13.41,2.1,;14.18,3.44,;11.87,2.1,;11.1,3.44,)|
Cc1nc(N2CCc3cc(N)ccc3C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(9.34,-6.93,;9.34,-5.39,;8,-4.62,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;9.34,-2.31,;9.34,-.77,;10.67,-3.08,;12,-2.31,;10.67,-4.62,;12,-5.39,;12,-6.93,;13.34,-7.7,;14.67,-6.93,;14.67,-5.39,;16,-4.62,;13.34,-4.62,;13.34,-3.08,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc4ncsc34)c(=O)c2C)[C@@H]1N |wD:28.33,1.0,(13.87,12.77,;14.77,11.53,;16.31,11.53,;16.79,10.06,;15.54,9.16,;16.88,8.39,;16.88,6.85,;15.54,6.08,;14.21,6.85,;14.21,8.39,;15.54,4.54,;14.21,3.77,;14.21,2.23,;12.88,1.46,;15.54,1.46,;15.54,-.08,;16.88,-.85,;16.88,-2.39,;15.54,-3.16,;14.21,-2.39,;12.75,-2.87,;11.84,-1.62,;12.75,-.38,;14.21,-.85,;16.88,2.23,;18.21,1.46,;16.88,3.77,;18.21,4.54,;14.3,10.06,;12.83,9.59,)|
Cc1c(NC2CCC(N)CC2)ncn(-c2cccc(Cl)c2Cl)c1=O |(4,-14.63,;2.67,-13.86,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-9.24,;5.33,-7.7,;4,-6.93,;4,-5.39,;2.67,-7.7,;2.67,-9.24,;1.33,-11.55,;,-12.32,;,-13.86,;-1.33,-14.63,;-2.67,-13.86,;-4,-14.63,;-4,-16.17,;-2.67,-16.94,;-2.67,-18.48,;-1.33,-16.17,;,-16.94,;1.33,-14.63,;1.33,-16.17,)|
Cc1nc(N2CCC3(CC3CN)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(9.03,-1.9,;8.26,-.56,;6.72,-.56,;5.95,.77,;4.41,.77,;3.64,2.1,;2.1,2.1,;1.33,.77,;,1.54,;;-.77,-1.33,;-2.31,-1.33,;2.1,-.56,;3.64,-.56,;6.72,2.1,;5.95,3.44,;8.26,2.1,;9.03,3.44,;9.03,.77,;10.57,.77,;11.34,-.56,;12.88,-.56,;13.65,.77,;12.88,2.1,;13.65,3.44,;11.34,2.1,;10.57,3.44,)|
Cc1nc(N2CC(CN)C(C)(C)C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(2.66,-14.61,;3.29,-13.2,;2.38,-11.95,;3.01,-10.55,;2.1,-9.3,;.56,-9.3,;.09,-7.84,;-1.38,-7.36,;-1.7,-5.85,;1.33,-6.93,;.58,-5.59,;2.09,-5.59,;2.58,-7.84,;4.54,-10.38,;5.17,-8.98,;5.45,-11.63,;6.98,-11.47,;4.82,-13.04,;5.72,-14.28,;5.1,-15.69,;6,-16.94,;7.53,-16.78,;8.16,-15.37,;9.69,-15.21,;7.26,-14.12,;7.88,-12.72,)|
Cc1nc(N2CCC(CN)(CO)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(-1.33,-14.63,;,-13.86,;,-12.32,;1.33,-11.55,;1.33,-10.01,;2.67,-9.24,;2.67,-7.7,;1.33,-6.93,;.34,-5.75,;.87,-4.3,;2.32,-5.75,;3.84,-6.02,;,-7.7,;,-9.24,;2.67,-12.32,;4,-11.55,;2.67,-13.86,;4,-14.63,;1.33,-14.63,;1.33,-16.17,;,-16.94,;,-18.48,;1.33,-19.25,;2.67,-18.48,;4,-19.25,;2.67,-16.94,;4,-16.17,)|
Cc1nc(N2CCC3(CC3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(9.03,-1.9,;8.26,-.56,;6.72,-.56,;5.95,.77,;4.41,.77,;3.64,2.1,;2.1,2.1,;1.33,.77,;,1.54,;;-.77,-1.33,;2.1,-.56,;3.64,-.56,;6.72,2.1,;5.95,3.44,;8.26,2.1,;9.03,3.44,;9.03,.77,;10.57,.77,;11.34,-.56,;12.88,-.56,;13.65,.77,;12.88,2.1,;13.65,3.44,;11.34,2.1,;10.57,3.44,)|
Cc1nc(N2CCCC3(CCC3N)C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(8.79,4.77,;7.25,4.77,;6.48,3.44,;4.94,3.44,;4.17,2.1,;4.94,.77,;4.17,-.56,;2.63,-.56,;1.86,.77,;.77,1.86,;-.32,.77,;.77,-.32,;.77,-1.86,;2.63,2.1,;4.17,4.77,;2.63,4.77,;4.94,6.1,;4.17,7.44,;6.48,6.1,;7.25,7.44,;8.79,7.44,;9.56,8.77,;8.79,10.11,;7.25,10.11,;6.48,11.44,;6.48,8.77,;4.94,8.77,)|
Cc1nc(N2CCCC(CN)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(-2.15,3.96,;-.81,4.73,;-.81,6.27,;.52,7.04,;.52,8.58,;-.87,9.25,;-1.21,10.75,;-.25,11.96,;1.29,11.96,;1.96,13.34,;1.09,14.62,;2.25,10.75,;1.91,9.25,;1.85,6.27,;3.19,7.04,;1.85,4.73,;3.19,3.96,;.52,3.96,;.52,2.42,;-.81,1.65,;-.81,.11,;.52,-.66,;1.85,.11,;3.19,-.66,;1.85,1.65,;3.19,2.42,)|
Cc1nc(N2CCO[C@H](CN)C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wD:8.8,(5.33,-13.86,;5.33,-12.32,;4,-11.55,;4,-10.01,;2.67,-9.24,;1.33,-10.01,;,-9.24,;,-7.7,;1.33,-6.93,;1.33,-5.39,;,-4.62,;2.67,-7.7,;5.33,-9.24,;5.33,-7.7,;6.67,-10.01,;8,-9.24,;6.67,-11.55,;8,-12.32,;8,-13.86,;9.34,-14.63,;10.67,-13.86,;10.67,-12.32,;12,-11.55,;9.34,-11.55,;9.34,-10.01,)|
Cc1nc(N2CCC(C)(N)CC2)c(C2CC2)c(=O)n1-c1cccc(Cl)c1Cl |(-2.1,1.21,;-2.1,-.33,;-.77,-1.1,;-.77,-2.64,;.56,-3.41,;.56,-4.95,;1.9,-5.72,;3.23,-4.95,;3.76,-6.39,;4.75,-4.68,;3.23,-3.41,;1.9,-2.64,;-2.1,-3.41,;-2.1,-4.95,;-1.33,-6.28,;-2.87,-6.28,;-3.44,-2.64,;-4.77,-3.41,;-3.44,-1.1,;-4.77,-.33,;-4.77,1.21,;-6.1,1.98,;-7.44,1.21,;-7.44,-.33,;-8.77,-1.1,;-6.1,-1.1,;-6.1,-2.64,)|
Cc1nc(N2CCC(C)(N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(-1.33,-14.63,;,-13.86,;,-12.32,;1.33,-11.55,;1.33,-10.01,;2.67,-9.24,;2.67,-7.7,;1.33,-6.93,;2.32,-5.75,;.34,-5.75,;,-7.7,;,-9.24,;2.67,-12.32,;4,-11.55,;2.67,-13.86,;4,-14.63,;1.33,-14.63,;1.33,-16.17,;,-16.94,;,-18.48,;1.33,-19.25,;2.67,-18.48,;4,-19.25,;2.67,-16.94,;4,-16.17,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Br)c3Cl)c(=O)c2C)[C@@H]1N |wD:27.31,1.0,(-1.25,-.91,;;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;7.76,2.1,;6.99,3.44,;1.46,-.48,;1.94,-1.94,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(F)c3Cl)c(=O)c2C)[C@@H]1N |wD:27.31,1.0,(-1.25,-.91,;;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;7.76,2.1,;6.99,3.44,;1.46,-.48,;1.94,-1.94,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Br)c(=O)c2C)[C@@H]1N |wD:27.31,1.0,(-1.25,-.91,;;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;7.76,2.1,;6.99,3.44,;1.46,-.48,;1.94,-1.94,)|
COc1ccc(c(Cl)c1Cl)-n1c(C)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c(C)c1=O |wD:23.25,21.22,(17,-.56,;16.23,.77,;14.69,.77,;13.92,-.56,;12.38,-.56,;11.61,.77,;12.38,2.1,;11.61,3.44,;13.92,2.1,;14.69,3.44,;10.07,.77,;9.3,-.56,;10.07,-1.9,;7.76,-.56,;6.99,.77,;5.45,.77,;4.68,2.1,;3.14,2.1,;2.37,.77,;1.46,2.02,;,1.54,;;-1.25,-.91,;1.46,-.48,;1.94,-1.94,;3.14,-.56,;4.68,-.56,;7.76,2.1,;6.99,3.44,;9.3,2.1,;10.07,3.44,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc(F)c(Cl)c3Cl)c(=O)c2C)[C@@H]1N |wD:28.32,1.0,(-1.25,-.91,;;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;16.23,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;7.76,2.1,;6.99,3.44,;1.46,-.48,;1.94,-1.94,)|
Cc1nc(N2CCN3CC(N)CC3C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(6.53,-6.69,;6.53,-5.15,;5.2,-4.38,;5.2,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-2.71,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;6.53,-2.07,;6.53,-.53,;7.87,-2.84,;9.2,-2.07,;7.87,-4.38,;9.2,-5.15,;9.2,-6.69,;10.53,-7.46,;11.87,-6.69,;11.87,-5.15,;13.2,-4.38,;10.53,-4.38,;10.53,-2.84,)|
Cc1nc(N2C[C@H]3CC(CO)C[C@@]3(CN)C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wU:6.5,wD:12.13,(-5.53,1.42,;-4.76,.09,;-3.22,.09,;-2.45,-1.25,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;5.37,-1.25,;6.14,.09,;2.93,-2.49,;1.46,-2.02,;1.46,-3.56,;.13,-4.33,;,-2.49,;-3.22,-2.58,;-2.45,-3.91,;-4.76,-2.58,;-5.53,-3.91,;-5.53,-1.25,;-7.07,-1.25,;-7.84,.09,;-9.38,.09,;-10.15,-1.25,;-9.38,-2.58,;-10.15,-3.91,;-7.84,-2.58,;-7.07,-3.91,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3c(C)ccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |wD:28.32,1.0,(-1.25,-.91,;;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;11.61,-1.9,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;7.76,2.1,;6.99,3.44,;1.46,-.48,;1.94,-1.94,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc(F)c(C)c3Cl)c(=O)c2C)[C@@H]1N |wD:28.32,1.0,(-1.25,-.91,;;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;16.23,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;7.76,2.1,;6.99,3.44,;1.46,-.48,;1.94,-1.94,)|
Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Br)c1Cl |wD:15.17,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,)|
COc1c(F)ccc(c1F)-n1c(C)nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c1=O |wD:26.29,(-8.36,-6.44,;-6.82,-6.44,;-6.05,-5.1,;-6.82,-3.77,;-8.36,-3.77,;-6.05,-2.44,;-4.51,-2.44,;-3.74,-3.77,;-4.51,-5.1,;-3.74,-6.44,;-2.2,-3.77,;-1.43,-2.44,;-2.2,-1.1,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,)|
Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wD:15.17,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,)|
Cc1nc(N2CCCC(C)(CN)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(-2.15,3.96,;-.81,4.73,;-.81,6.27,;.52,7.04,;.52,8.58,;-.87,9.25,;-1.21,10.75,;-.25,11.96,;1.29,11.96,;2.68,12.62,;.95,13.46,;2.07,14.51,;2.25,10.75,;1.91,9.25,;1.85,6.27,;3.19,7.04,;1.85,4.73,;3.19,3.96,;.52,3.96,;.52,2.42,;-.81,1.65,;-.81,.11,;.52,-.66,;1.85,.11,;3.19,-.66,;1.85,1.65,;3.19,2.42,)|
Cc1nc(N2CCC3(Cc4ccccc4[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(C#N)c1Cl |wU:15.17,(-4.06,2.65,;-3.29,1.31,;-1.75,1.31,;-.98,-.02,;.56,-.02,;1.33,-1.36,;2.87,-1.36,;3.64,-.02,;4.55,-1.27,;6.01,-.79,;7.34,-1.56,;8.68,-.79,;8.68,.75,;7.34,1.52,;6.01,.75,;4.55,1.22,;4.07,2.69,;2.87,1.31,;1.33,1.31,;-1.75,-1.36,;-.98,-2.69,;-3.29,-1.36,;-4.06,-2.69,;-4.06,-.02,;-5.6,-.02,;-6.37,1.31,;-7.91,1.31,;-8.68,-.02,;-7.91,-1.36,;-8.68,-2.69,;-8.36,-4.2,;-6.37,-1.36,;-5.6,-2.69,)|
Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1ccc(F)c(Cl)c1Cl |wD:15.17,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-8.36,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,)|
Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1ccc(F)c(C)c1Cl |wD:15.17,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-8.36,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,)|
C[C@@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(C)n(-c2cccc(Cl)c2Cl)c(=O)c1C |wU:1.0,wD:3.3,(-1.25,2.45,;,1.54,;;1.46,-.48,;1.94,-1.94,;2.37,.77,;1.46,2.02,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;7.76,2.1,;6.99,3.44,)|
Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(F)c1Cl |wD:15.17,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,)|
Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1ccc(F)c(F)c1Cl |wD:15.17,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-8.36,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,)|
Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1 |(1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;-2.67,,;-4,-.77,;-4,-2.31,;-5.33,-3.08,;-2.67,-3.08,;-2.67,-4.62,;,-4.62,;-1.33,-5.39,;4,-5.39,;5.33,-4.62,;6.67,-5.39,;6.67,-6.93,;8.21,-6.98,;7.48,-8.24,;9.02,-8.18,;5.33,-7.7,;4,-6.93,)|
CC(O)CC1(N)CCCN(CC1)c1nc(C)n(-c2cccc(Cl)c2Cl)c(=O)c1C |(5.34,12.43,;3.95,11.76,;3.83,10.22,;2.68,12.62,;1.29,11.96,;.95,13.46,;-.25,11.96,;-1.21,10.75,;-.87,9.25,;.52,8.58,;1.91,9.25,;2.25,10.75,;.52,7.04,;-.81,6.27,;-.81,4.73,;-2.15,3.96,;.52,3.96,;.52,2.42,;-.81,1.65,;-.81,.11,;.52,-.66,;1.85,.11,;3.19,-.66,;1.85,1.65,;3.19,2.42,;1.85,4.73,;3.19,3.96,;1.85,6.27,;3.19,7.04,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |wD:1.0,27.31,(-1.25,-.91,;;,1.54,;1.46,2.02,;2.37,.77,;3.14,-.56,;4.68,-.56,;5.45,.77,;4.68,2.1,;3.14,2.1,;6.99,.77,;7.76,-.56,;9.3,-.56,;10.07,-1.9,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,;9.3,2.1,;10.07,3.44,;7.76,2.1,;6.99,3.44,;1.46,-.48,;1.94,-1.94,)|
Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r,wD:28.32,(-1.62,-3.11,;-2.01,-1.62,;-.93,-.53,;-1.32,.95,;-2.81,1.35,;-3.21,2.84,;-3.9,.26,;-5.64,.72,;-6.73,-.37,;-8.22,.03,;-8.62,1.51,;-7.53,2.6,;-7.93,4.09,;-6.04,2.2,;-4.95,3.29,;-3.5,-1.22,;-4.59,-2.31,;.56,-.93,;.96,-2.42,;2.45,-2.82,;3.54,-1.73,;4.13,-3.15,;5.66,-3.03,;6.78,-4.09,;8.26,-3.65,;8.62,-2.15,;7.5,-1.09,;6.02,-1.53,;4.71,-.73,;4.71,.81,;3.14,-.24,;1.65,.16,)|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1cc(=O)n(c(N)n1)-c1cccc(Cl)c1Cl |wU:1.0,(4.61,3.48,;4.13,2.02,;2.67,1.54,;1.33,2.31,;,1.54,;;1.33,-.77,;2.67,,;4.13,-.48,;5.04,.77,;5.81,-.56,;7.35,-.56,;8.12,.77,;7.35,2.1,;5.81,2.1,;9.66,.77,;10.43,2.1,;11.97,2.1,;12.74,3.44,;12.74,.77,;11.97,-.56,;12.74,-1.9,;10.43,-.56,;14.28,.77,;15.05,-.56,;16.59,-.56,;17.36,.77,;16.59,2.1,;17.36,3.44,;15.05,2.1,;14.28,3.44,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |wD:27.31,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;.11,-5.1,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@@H]2N)CC1 |wU:27.31,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;.11,-5.1,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,)|
CC1(N)CCN(CC1)c1ncc(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
CC1(N)CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2)c(n1)C(N)=O
CC1(N)CCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |(-.42,-6.7,;.67,-5.62,;1.76,-6.7,;-.67,-4.85,;-.67,-3.31,;.67,-2.54,;2,-3.31,;2,-4.85,;.67,-1,;2,-.23,;2,1.31,;3.33,2.08,;.67,2.08,;-.67,1.31,;-.67,-.23,;-2,2.08,;-3.33,1.31,;-2,3.62,;.67,3.62,;-.67,4.39,;-.67,5.93,;.67,6.7,;2,5.93,;3.33,6.7,;2,4.39,;3.33,3.62,)|
CC1(N)CCN(CC1)c1nc(N)c(-c2cccc(F)c2)c(n1)C(N)=O
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)[C@@H]1N |r,wD:28.32,1.0,(7.99,-2.9,;6.45,-3.06,;5.68,-4.39,;4.18,-4.07,;4.02,-2.54,;2.68,-3.31,;1.35,-2.54,;1.35,-1,;2.68,-.23,;4.02,-1,;.02,-.23,;.02,1.31,;-1.32,2.08,;-1.32,3.62,;-2.65,1.31,;-3.98,2.08,;-3.98,3.62,;-5.32,4.39,;-6.65,3.62,;-6.65,2.08,;-7.99,1.31,;-5.32,1.31,;-5.32,-.23,;-2.65,-.23,;-1.32,-1,;-3.74,-1.32,;-3.15,-2.74,;-5.28,-1.32,;5.42,-1.91,;5.74,-.41,)|
NC1C2CCCC1CN(C2)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |THB:10:8:3.5.4:1,(7.14,-3.84,;5.94,-2.88,;4.37,-2.49,;4.37,-.67,;3.52,.68,;5.01,.28,;5.01,-1.46,;3.76,-1.95,;2.19,-1.55,;2.96,-2.88,;.86,-.78,;.86,.76,;-.48,1.53,;-.48,3.07,;-1.81,.76,;-1.81,-.78,;-.48,-1.55,;-2.9,-1.87,;-2.31,-3.29,;-4.44,-1.87,;-3.14,1.53,;-3.14,3.07,;-4.48,3.84,;-5.81,3.07,;-5.81,1.53,;-7.14,.76,;-4.48,.76,;-4.48,-.78,)|
N[C@@H]1CCCC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wD:1.0,(6.51,-.41,;6.19,-1.91,;7.22,-3.06,;6.45,-4.39,;4.94,-4.07,;4.78,-2.54,;3.45,-3.31,;2.12,-2.54,;2.12,-1,;3.45,-.23,;4.78,-1,;.78,-.23,;.78,1.31,;-.55,2.08,;-.55,3.62,;-1.89,1.31,;-3.22,2.08,;-3.22,3.62,;-4.55,4.39,;-5.89,3.62,;-5.89,2.08,;-7.22,1.31,;-4.55,1.31,;-4.55,-.23,;-1.89,-.23,;-.55,-1,;-2.97,-1.32,;-2.39,-2.74,;-4.51,-1.32,)|
N[C@@H]1CC(F)(F)CC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wD:1.0,(6.15,.34,;5.83,-1.16,;6.86,-2.31,;6.09,-3.64,;7.58,-4.04,;5.73,-5.14,;4.59,-3.32,;4.42,-1.79,;3.09,-2.56,;1.76,-1.79,;1.76,-.25,;3.09,.52,;4.42,-.25,;.42,.52,;.42,2.06,;-.91,2.83,;-.91,4.37,;-2.24,2.06,;-3.58,2.83,;-3.58,4.37,;-4.91,5.14,;-6.25,4.37,;-6.25,2.83,;-7.58,2.06,;-4.91,2.06,;-4.91,.52,;-2.24,.52,;-.91,-.25,;-3.33,-.57,;-2.74,-1.99,;-4.87,-.57,)|
CNC(=O)c1nc(nc(N)c1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1 |(-6.08,-1.95,;-4.74,-1.18,;-3.41,-1.95,;-3.41,-3.49,;-2.08,-1.18,;-.74,-1.95,;.59,-1.18,;.59,.36,;-.74,1.13,;-.74,2.67,;-2.08,.36,;-3.41,1.13,;-4.74,.36,;-6.08,1.13,;-6.08,2.67,;-4.74,3.44,;-4.74,4.98,;-3.41,2.67,;-2.08,3.44,;1.92,-1.95,;1.92,-3.49,;3.26,-4.26,;4.59,-3.49,;6.08,-3.09,;4.99,-4.98,;4.59,-1.95,;3.26,-1.18,)|
CC(C)C1N(CC11CC(N)C(O)C1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(-.84,-4.11,;.7,-4.11,;1.47,-5.45,;1.47,-2.78,;1.07,-1.29,;2.56,-.89,;2.96,-2.38,;3.12,-3.91,;4.63,-4.23,;5.25,-5.64,;5.4,-2.9,;6.93,-2.74,;4.37,-1.75,;-.26,-.52,;-.26,1.02,;-1.59,1.79,;-1.59,3.33,;-2.93,1.02,;-4.26,1.79,;-5.59,1.02,;-6.93,1.79,;-6.93,3.33,;-5.59,4.1,;-5.59,5.64,;-4.26,3.33,;-2.93,4.1,;-2.93,-.52,;-1.59,-1.29,;-4.26,-1.29,;-4.26,-2.83,;-5.59,-.52,)|
NCC1CN(CC11CCC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(6.3,-.49,;5.67,-1.9,;4.14,-2.06,;3.11,-.92,;1.7,-1.54,;1.86,-3.08,;3.37,-3.4,;2.82,-4.83,;4.26,-5.39,;4.81,-3.95,;.37,-.77,;.37,.77,;-.96,1.54,;-.96,3.08,;-2.3,.77,;-3.63,1.54,;-4.96,.77,;-6.3,1.54,;-6.3,3.08,;-4.96,3.85,;-4.96,5.39,;-3.63,3.08,;-2.3,3.85,;-2.3,-.77,;-.96,-1.54,;-3.63,-1.54,;-3.63,-3.08,;-4.96,-.77,)|
NCC1CC2CCC(C1)N2c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |TLB:1:2:9:5.6,(7.25,-2.88,;5.92,-3.65,;4.54,-2.96,;3.57,-1.66,;2.23,-2.43,;2.63,-3.91,;1.52,-4.9,;1.52,-3.36,;3,-2.96,;.75,-2.03,;-.59,-1.26,;-.59,.28,;-1.92,1.05,;-1.92,2.59,;-3.25,.28,;-4.59,1.05,;-5.92,.28,;-7.25,1.05,;-7.25,2.59,;-5.92,3.36,;-5.92,4.9,;-4.59,2.59,;-3.25,3.36,;-3.25,-1.26,;-1.92,-2.03,;-4.59,-2.03,;-4.59,-3.57,;-5.92,-1.26,)|
C[C@@]12CN(C[C@@](C)(CCCCC1)[C@H]2N)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wD:5.5,12.14,1.0,(1.83,-5.11,;2.84,-3.95,;1.51,-3.18,;1.51,-1.64,;2.84,-.87,;4.18,-1.64,;4.77,-.22,;5.61,-1.83,;6.49,-2.97,;6.3,-4.41,;5.16,-5.29,;3.73,-5.1,;3.03,-2.52,;4.12,-3.61,;.18,-.87,;.18,.67,;-1.16,1.44,;-1.16,2.98,;-2.49,.67,;-3.82,1.44,;-5.16,.67,;-6.49,1.44,;-6.49,2.98,;-5.16,3.75,;-5.16,5.29,;-3.82,2.98,;-2.49,3.75,;-2.49,-.87,;-1.16,-1.64,;-3.82,-1.64,;-3.82,-3.18,;-5.16,-.87,)|
C[C@@]12CN(C[C@@](C)(CCCCC1)[C@@H]2N)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:12.14,wD:5.5,1.0,(1.83,-5.11,;2.84,-3.95,;1.51,-3.18,;1.51,-1.64,;2.84,-.87,;4.18,-1.64,;4.77,-.22,;5.61,-1.83,;6.49,-2.97,;6.3,-4.41,;5.16,-5.29,;3.73,-5.1,;3.03,-2.52,;4.12,-3.61,;.18,-.87,;.18,.67,;-1.16,1.44,;-1.16,2.98,;-2.49,.67,;-3.82,1.44,;-5.16,.67,;-6.49,1.44,;-6.49,2.98,;-5.16,3.75,;-5.16,5.29,;-3.82,2.98,;-2.49,3.75,;-2.49,-.87,;-1.16,-1.64,;-3.82,-1.64,;-3.82,-3.18,;-5.16,-.87,)|
CC1(N)CCN(CC1)c1nc(Cl)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |(-6.7,-1.76,;-5.62,-.67,;-6.7,.42,;-4.85,.67,;-3.31,.67,;-2.54,-.67,;-3.31,-2,;-4.85,-2,;-1,-.67,;-.23,-2,;1.31,-2,;2.08,-3.33,;2.08,-.67,;1.31,.67,;-.23,.67,;2.08,2,;1.31,3.33,;3.62,2,;3.62,-.67,;4.39,.67,;5.93,.67,;6.7,-.67,;5.93,-2,;6.7,-3.33,;4.39,-2,;3.62,-3.33,)|
CC1(N)CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(=O)NCCO |(1.58,-6.7,;2.67,-5.62,;3.76,-6.7,;1.33,-4.85,;1.33,-3.31,;2.67,-2.54,;4,-3.31,;4,-4.85,;2.67,-1,;4,-.23,;4,1.31,;5.33,2.08,;2.67,2.08,;2.67,3.62,;1.33,4.39,;1.33,5.93,;2.67,6.7,;4,5.93,;5.33,6.7,;4,4.39,;5.33,3.62,;1.33,1.31,;1.33,-.23,;,2.08,;,3.62,;-1.33,1.31,;-2.67,2.08,;-4,1.31,;-5.33,2.08,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1 |(3.33,2.08,;2,1.31,;2,-.23,;.67,-1,;-.67,-.23,;-.67,1.31,;-2,2.08,;-3.33,1.31,;-2,3.62,;.67,2.08,;.67,3.62,;-.67,4.39,;-.67,5.93,;.67,6.7,;2,5.93,;3.33,6.7,;2,4.39,;3.33,3.62,;.67,-2.54,;-.67,-3.31,;-.67,-4.85,;.67,-5.62,;-.42,-6.7,;1.76,-6.7,;2,-4.85,;2,-3.31,)|
CC1(N)CCN(CC1)c1nc(Cl)c(-c2cccc(F)c2)c(n1)C(N)=O
CC1(N)CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(=O)NO |(.24,-6.7,;1.33,-5.62,;2.42,-6.7,;,-4.85,;,-3.31,;1.33,-2.54,;2.67,-3.31,;2.67,-4.85,;1.33,-1,;2.67,-.23,;2.67,1.31,;4,2.08,;1.33,2.08,;1.33,3.62,;,4.39,;,5.93,;1.33,6.7,;2.67,5.93,;4,6.7,;2.67,4.39,;4,3.62,;,1.31,;,-.23,;-1.33,2.08,;-1.33,3.62,;-2.67,1.31,;-4,2.08,)|
CC1(N)CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(=O)NN |(.24,-6.7,;1.33,-5.62,;2.42,-6.7,;,-4.85,;,-3.31,;1.33,-2.54,;2.67,-3.31,;2.67,-4.85,;1.33,-1,;2.67,-.23,;2.67,1.31,;4,2.08,;1.33,2.08,;1.33,3.62,;,4.39,;,5.93,;1.33,6.7,;2.67,5.93,;4,6.7,;2.67,4.39,;4,3.62,;,1.31,;,-.23,;-1.33,2.08,;-1.33,3.62,;-2.67,1.31,;-4,2.08,)|
CC1(N)CCN(CC1)c1nc(F)c(-c2cccc(F)c2)c(n1)C(N)=O
NCC1CN(CC11CCOCC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(6.3,-.08,;5.67,-1.49,;4.14,-1.65,;3.11,-.51,;1.7,-1.13,;1.86,-2.66,;3.37,-2.98,;2.47,-4.23,;3.09,-5.64,;4.62,-5.8,;5.53,-4.55,;4.9,-3.14,;.37,-.36,;.37,1.18,;-.96,1.95,;-.96,3.49,;-2.3,1.18,;-3.63,1.95,;-4.96,1.18,;-6.3,1.95,;-6.3,3.49,;-4.96,4.26,;-4.96,5.8,;-3.63,3.49,;-2.3,4.26,;-2.3,-.36,;-.96,-1.13,;-3.63,-1.13,;-3.63,-2.67,;-4.96,-.36,)|
NCC12CN(CC1CCCC2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(4.29,.5,;4.69,-.98,;4.06,-2.39,;3.03,-1.25,;1.63,-1.87,;1.79,-3.4,;3.29,-3.72,;4.06,-5.06,;5.6,-5.06,;6.37,-3.72,;5.6,-2.39,;.29,-1.1,;.29,.44,;-1.04,1.21,;-1.04,2.75,;-2.37,.44,;-3.71,1.21,;-5.04,.44,;-6.37,1.21,;-6.37,2.75,;-5.04,3.52,;-5.04,5.06,;-3.71,2.75,;-2.37,3.52,;-2.37,-1.1,;-1.04,-1.87,;-3.71,-1.87,;-3.71,-3.41,;-5.04,-1.1,)|
CC1(N)CCN(CC1)c1nc(O)c(-c2cccc(F)c2)c(n1)C(N)=O
CC1(N)CCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |(6.05,-3.18,;5.28,-1.85,;6.62,-1.08,;4.19,-2.94,;2.71,-2.54,;2.31,-1.05,;3.4,.04,;4.88,-.36,;.82,-.65,;.42,.84,;-1.07,1.23,;-1.46,2.72,;-2.15,.15,;-1.76,-1.34,;-.27,-1.74,;-2.84,-2.43,;-2.45,-3.92,;-4.33,-2.03,;-3.64,.54,;-4.73,-.54,;-6.22,-.15,;-6.62,1.34,;-5.53,2.43,;-5.93,3.92,;-4.04,2.03,;-3.64,3.52,)|
Cc1nc(NC2CCCC(N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl |(-2.7,2.87,;-1.93,1.54,;-.39,1.54,;.38,.2,;1.92,.2,;3.25,.97,;2.86,2.46,;3.95,3.55,;5.43,3.15,;5.83,1.67,;7.32,1.27,;4.74,.58,;-.39,-1.13,;-1.93,-1.13,;-2.7,-2.46,;-1.61,-3.55,;-4.24,-2.46,;-2.7,.2,;-4.24,.2,;-5.01,-1.13,;-6.55,-1.13,;-7.32,.2,;-6.55,1.54,;-7.32,2.87,;-5.01,1.54,;-4.24,2.87,)|
NC(=O)c1nc(nc(N)c1-c1cccc(Cl)c1Cl)N1CCC(N)(CO)CC1 |(-3.82,-3.57,;-3.82,-2.03,;-5.16,-1.26,;-2.49,-1.26,;-1.15,-2.03,;.18,-1.26,;.18,.28,;-1.15,1.05,;-1.15,2.59,;-2.49,.28,;-3.82,1.05,;-5.16,.28,;-6.49,1.05,;-6.49,2.59,;-5.16,3.36,;-5.16,4.9,;-3.82,2.59,;-2.49,3.36,;1.51,-2.03,;1.51,-3.57,;2.85,-4.34,;4.18,-3.57,;4.95,-4.9,;5.72,-3.57,;6.49,-2.23,;4.18,-2.03,;2.85,-1.26,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1 |(-1.46,2.72,;-1.07,1.23,;.42,.84,;.82,-.65,;-.27,-1.74,;-1.76,-1.34,;-2.84,-2.43,;-2.45,-3.92,;-4.33,-2.03,;-2.15,.15,;-3.64,.54,;-4.73,-.54,;-6.22,-.15,;-6.62,1.34,;-5.53,2.43,;-5.93,3.92,;-4.04,2.03,;-3.64,3.52,;2.31,-1.05,;2.71,-2.54,;4.19,-2.94,;5.28,-1.85,;6.05,-3.18,;6.62,-1.08,;4.88,-.36,;3.4,.04,)|
CN(C1CCC(N)CC1)c1cc(C(N)=O)c(c(C)n1)-c1cccc(Cl)c1Cl |(1.57,-1,;1.57,.54,;3.05,.94,;3.82,-.39,;5.36,-.39,;6.13,.94,;7.67,.94,;5.36,2.28,;3.82,2.28,;.03,.54,;-.74,-.79,;-2.28,-.79,;-3.05,-2.12,;-1.96,-3.21,;-4.59,-2.12,;-3.05,.54,;-2.28,1.88,;-3.05,3.21,;-.74,1.88,;-4.59,.54,;-5.36,-.79,;-6.9,-.79,;-7.67,.54,;-6.9,1.88,;-7.67,3.21,;-5.36,1.88,;-4.59,3.21,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C2COCC1CC(N)C2 |(-2.6,3.21,;-1.83,1.88,;-.29,1.88,;.48,.54,;-.29,-.79,;-1.83,-.79,;-2.6,-2.12,;-1.51,-3.21,;-4.14,-2.12,;-2.6,.54,;-4.14,.54,;-4.91,-.79,;-6.45,-.79,;-7.22,.54,;-6.45,1.88,;-7.22,3.21,;-4.91,1.88,;-4.14,3.21,;2.02,.54,;3.39,1.9,;4.34,1.31,;4.5,.08,;3.99,-.94,;2.83,-1.31,;4.7,-1.7,;5.69,-.26,;7.22,-.48,;5.25,1.44,)|
NCC1CN(CC11COC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(3.09,-5.72,;3.99,-4.47,;3.37,-3.06,;1.86,-2.74,;1.7,-1.21,;3.11,-.59,;4.14,-1.73,;5.33,-2.7,;6.3,-1.5,;5.11,-.53,;.37,-.44,;.37,1.1,;-.97,1.87,;-.97,3.41,;-2.3,1.1,;-3.64,1.87,;-4.97,1.1,;-6.3,1.87,;-6.3,3.41,;-4.97,4.18,;-4.97,5.72,;-3.64,3.41,;-2.3,4.18,;-2.3,-.44,;-.97,-1.21,;-3.64,-1.21,;-3.64,-2.75,;-4.97,-.44,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@H]2N)C1 |r,wU:25.28,(-2.37,3.21,;-1.6,1.88,;-.06,1.88,;.71,.54,;-.06,-.79,;-1.6,-.79,;-2.37,-2.12,;-1.28,-3.21,;-3.91,-2.12,;-2.37,.54,;-3.91,.54,;-4.68,-.79,;-6.22,-.79,;-6.99,.54,;-6.22,1.88,;-6.99,3.21,;-4.68,1.88,;-3.91,3.21,;2.25,.54,;2.25,-1,;3.71,-1.47,;4.62,-.23,;5.53,1.02,;6.99,.54,;6.99,-1,;5.53,-1.47,;5.05,-2.94,;3.71,1.02,)|
Cc1nc(NC2CCC(CN)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl |(-2.96,3.21,;-2.19,1.88,;-.65,1.88,;.12,.54,;1.66,.54,;3.12,1.02,;3.44,2.53,;4.97,2.69,;5.6,1.28,;7.11,.96,;7.58,-.5,;4.46,.25,;-.65,-.79,;-2.19,-.79,;-2.96,-2.12,;-1.87,-3.21,;-4.5,-2.12,;-2.96,.54,;-4.5,.54,;-5.27,-.79,;-6.81,-.79,;-7.58,.54,;-6.81,1.88,;-7.58,3.21,;-5.27,1.88,;-4.5,3.21,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@@H]2N)C1 |r,wD:25.28,(-2.37,3.21,;-1.6,1.88,;-.06,1.88,;.71,.54,;-.06,-.79,;-1.6,-.79,;-2.37,-2.12,;-1.28,-3.21,;-3.91,-2.12,;-2.37,.54,;-3.91,.54,;-4.68,-.79,;-6.22,-.79,;-6.99,.54,;-6.22,1.88,;-6.99,3.21,;-4.68,1.88,;-3.91,3.21,;2.25,.54,;2.25,-1,;3.71,-1.47,;4.62,-.23,;5.53,1.02,;6.99,.54,;6.99,-1,;5.53,-1.47,;5.05,-2.94,;3.71,1.02,)|
NC1CCOC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)C1 |(5.33,-6.16,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;5.33,-1.54,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;;,1.54,;-1.33,2.31,;-1.33,3.85,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-6.67,2.31,;-6.67,3.85,;-5.33,4.62,;-5.33,6.16,;-4,3.85,;-2.67,4.62,;-2.67,,;-1.33,-.77,;-4,-.77,;-4,-2.31,;-5.33,,;4,-3.85,)|
NC1CCCOC1C1CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(6,-1.15,;6,-2.69,;7.34,-3.47,;7.34,-5,;6,-5.78,;4.67,-5,;4.67,-3.47,;3.33,-2.69,;2,-3.47,;.67,-2.69,;.67,-1.15,;2,-.38,;3.33,-1.15,;-.67,-.38,;-.67,1.15,;-2,1.93,;-2,3.47,;-3.33,1.15,;-4.67,1.93,;-6,1.15,;-7.34,1.93,;-7.34,3.47,;-6,4.23,;-6,5.78,;-4.67,3.47,;-3.33,4.23,;-3.33,-.38,;-2,-1.15,;-4.67,-1.15,;-4.67,-2.69,;-6,-.38,)|
NCC1CC2(CO1)CCN(CC2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(5.5,-6.49,;6.41,-5.24,;5.78,-3.83,;4.28,-3.51,;4.12,-1.98,;5.52,-1.36,;6.55,-2.5,;4.12,-.44,;2.78,.33,;1.45,-.44,;1.45,-1.98,;2.78,-2.75,;.11,.33,;.11,1.87,;-1.22,2.64,;-1.22,4.18,;-2.55,1.87,;-3.89,2.64,;-5.22,1.87,;-6.55,2.64,;-6.55,4.18,;-5.22,4.95,;-5.22,6.49,;-3.89,4.18,;-2.55,4.95,;-2.55,.33,;-1.22,-.44,;-3.89,-.44,;-3.89,-1.98,;-5.22,.33,)|
CC1(CN)CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(4.58,-4.98,;4.18,-3.49,;5.72,-3.49,;6.49,-2.16,;4.18,-1.95,;2.85,-1.18,;1.51,-1.95,;1.51,-3.49,;2.85,-4.26,;.18,-1.18,;.18,.36,;-1.15,1.13,;-1.15,2.67,;-2.49,.36,;-3.82,1.13,;-5.16,.36,;-6.49,1.13,;-6.49,2.67,;-5.16,3.44,;-5.16,4.98,;-3.82,2.67,;-2.49,3.44,;-2.49,-1.18,;-1.15,-1.95,;-3.82,-1.95,;-3.82,-3.49,;-5.16,-1.18,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CC2CCC(N)C2C1 |(-2.25,3.29,;-1.48,1.95,;.06,1.95,;.83,.62,;.06,-.71,;-1.48,-.71,;-2.25,-2.05,;-1.16,-3.14,;-3.79,-2.05,;-2.25,.62,;-3.79,.62,;-4.56,-.71,;-6.1,-.71,;-6.87,.62,;-6.1,1.95,;-6.87,3.29,;-4.56,1.95,;-3.79,3.29,;2.37,.62,;3.61,1.53,;4.86,.62,;6.4,.62,;6.87,-.84,;5.63,-1.75,;5.63,-3.29,;4.38,-.84,;2.84,-.84,)|
Cc1nc(NC2CCCC2CN)nc(C(N)=O)c1-c1cccc(Cl)c1Cl |(-1.89,3.21,;-1.12,1.88,;.42,1.88,;1.19,.54,;2.73,.54,;4.07,1.31,;4.23,2.85,;5.74,3.17,;6.51,1.83,;5.48,.69,;5.8,-.82,;4.65,-1.85,;.42,-.79,;-1.12,-.79,;-1.89,-2.12,;-.8,-3.21,;-3.43,-2.12,;-1.89,.54,;-3.43,.54,;-4.2,-.79,;-5.74,-.79,;-6.51,.54,;-5.74,1.88,;-6.51,3.21,;-4.2,1.88,;-3.43,3.21,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CC(F)(CN)C1 |(-1.38,-3.41,;-.99,-1.92,;.55,-1.92,;1.32,-.59,;.55,.74,;-.99,.74,;-1.76,2.08,;-3.3,2.08,;-.99,3.41,;-1.76,-.59,;-3.3,-.59,;-4.07,.74,;-5.61,.74,;-6.38,-.59,;-5.61,-1.92,;-6.38,-3.26,;-4.07,-1.92,;-3.3,-3.26,;2.86,-.59,;3.95,-1.68,;5.04,-.59,;6.38,.18,;6.38,-1.36,;6.38,-2.9,;3.95,.5,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCCC(C)(N)CC1 |(-2.46,-3.33,;-1.69,-2,;-.15,-2,;.62,-.67,;-.15,.67,;-1.69,.67,;-2.46,2,;-4,2,;-1.69,3.33,;-2.46,-.67,;-4,-.67,;-4.77,.67,;-6.31,.67,;-7.08,-.67,;-6.31,-2,;-7.08,-3.33,;-4.77,-2,;-4,-3.33,;2.16,-.67,;2.83,.72,;4.33,1.06,;5.54,.1,;5.54,-1.44,;6.31,-2.77,;7.08,-1.44,;4.33,-2.4,;2.83,-2.05,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC1CN |(-1.21,-2.97,;-.44,-1.63,;1.1,-1.63,;1.87,-.3,;1.1,1.03,;-.44,1.03,;-1.21,2.37,;-2.75,2.37,;-.44,3.7,;-1.21,-.3,;-2.75,-.3,;-3.52,1.03,;-5.06,1.03,;-5.83,-.3,;-5.06,-1.63,;-5.83,-2.97,;-3.52,-1.63,;-2.75,-2.97,;3.41,-.3,;4.5,.79,;5.59,-.3,;4.5,-1.39,;4.5,-2.93,;5.83,-3.7,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCOC[C@H]1CN |r,wU:23.26,(-1.54,-2.67,;-.77,-1.33,;.77,-1.33,;1.54,,;.77,1.33,;-.77,1.33,;-1.54,2.67,;-3.08,2.67,;-.77,4,;-1.54,,;-3.08,,;-3.85,1.33,;-5.39,1.33,;-6.16,,;-5.39,-1.33,;-6.16,-2.67,;-3.85,-1.33,;-3.08,-2.67,;3.08,,;3.85,1.33,;5.39,1.33,;6.16,,;5.39,-1.33,;3.85,-1.33,;3.08,-2.67,;3.85,-4,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCOC[C@@H]1CN |r,wD:23.26,(-1.54,-2.67,;-.77,-1.33,;.77,-1.33,;1.54,,;.77,1.33,;-.77,1.33,;-1.54,2.67,;-3.08,2.67,;-.77,4,;-1.54,,;-3.08,,;-3.85,1.33,;-5.39,1.33,;-6.16,,;-5.39,-1.33,;-6.16,-2.67,;-3.85,-1.33,;-3.08,-2.67,;3.08,,;3.85,1.33,;5.39,1.33,;6.16,,;5.39,-1.33,;3.85,-1.33,;3.08,-2.67,;3.85,-4,)|
NC1CCCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |(5.7,-5.28,;4.84,-4.01,;5.61,-2.67,;5.04,-1.24,;3.57,-.78,;2.3,-1.65,;2.18,-3.19,;3.31,-4.24,;.97,-.88,;.97,.66,;-.37,1.43,;-.37,2.97,;-1.7,.66,;-1.7,-.88,;-.37,-1.65,;-3.04,-1.65,;-3.04,-3.19,;-4.37,-.88,;-3.04,1.43,;-4.37,.66,;-5.7,1.43,;-5.7,2.97,;-4.37,3.74,;-4.37,5.28,;-3.04,2.97,;-1.7,3.74,)|
NC1CCCC2CN(CC12)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(6.37,-1.06,;5.6,-2.39,;6.37,-3.72,;5.6,-5.06,;4.06,-5.06,;3.29,-3.72,;1.79,-3.4,;1.63,-1.87,;3.03,-1.25,;4.06,-2.39,;.29,-1.1,;.29,.44,;-1.04,1.21,;-1.04,2.75,;-2.37,.44,;-3.71,1.21,;-5.04,.44,;-6.37,1.21,;-6.37,2.75,;-5.04,3.52,;-5.04,5.06,;-3.71,2.75,;-2.37,3.52,;-2.37,-1.1,;-1.04,-1.87,;-3.71,-1.87,;-3.71,-3.41,;-5.04,-1.1,)|
NC[C@@H]1CN(C[C@H]1c1ccccc1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:6.7,wD:2.1,(1.42,-5.78,;2.45,-4.63,;1.97,-3.17,;.51,-2.69,;.51,-1.15,;1.97,-.68,;2.88,-1.92,;4.42,-1.92,;5.19,-3.26,;6.73,-3.26,;7.5,-1.92,;6.73,-.59,;5.19,-.59,;-.83,-.38,;-.83,1.16,;-2.16,1.93,;-2.16,3.47,;-3.49,1.16,;-4.83,1.93,;-6.16,1.16,;-7.5,1.93,;-7.5,3.47,;-6.16,4.24,;-6.16,5.78,;-4.83,3.47,;-3.49,4.24,;-3.49,-.38,;-2.16,-1.15,;-4.83,-1.15,;-4.83,-2.69,;-6.16,-.38,)|
NC(=O)c1nc(NC2CCOC3(CN4CCC5CCC345)C2)nc(N)c1-c1cccc(Cl)c1Cl |(-4.77,-3.99,;-4.77,-2.45,;-6.1,-1.68,;-3.44,-1.68,;-2.1,-2.45,;-.77,-1.68,;.56,-2.45,;1.9,-1.68,;1.9,-.14,;3.23,.63,;4.56,-.14,;4.56,-1.68,;6.1,-1.32,;6.1,-2.86,;7.44,-3.99,;5.74,-4.48,;4.58,-3.64,;3.13,-4.04,;3.57,-2.86,;4.56,-2.86,;3.23,-2.45,;-.77,-.14,;-2.1,.63,;-2.1,2.17,;-3.44,-.14,;-4.77,.63,;-6.1,-.14,;-7.44,.63,;-7.44,2.17,;-6.1,2.94,;-6.1,4.48,;-4.77,2.17,;-3.44,2.94,)|
CCCC1(N)CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(6.67,-.49,;5.33,-1.26,;5.33,-2.8,;4,-3.57,;4.77,-4.9,;4,-2.03,;2.67,-1.26,;1.33,-2.03,;1.33,-3.57,;2.67,-4.34,;,-1.26,;,.28,;-1.33,1.05,;-1.33,2.59,;-2.67,.28,;-4,1.05,;-5.33,.28,;-6.67,1.05,;-6.67,2.59,;-5.33,3.36,;-5.33,4.9,;-4,2.59,;-2.67,3.36,;-2.67,-1.26,;-1.33,-2.03,;-4,-2.03,;-4,-3.57,;-5.33,-1.26,)|
NCC1(O)CN(C1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(6.1,-2.13,;5.33,-3.47,;3.79,-3.47,;4.88,-4.55,;2.3,-3.86,;1.9,-2.38,;3.39,-1.98,;.57,-1.61,;.57,-.07,;-.76,.7,;-.76,2.24,;-2.1,-.07,;-3.43,.7,;-4.77,-.07,;-6.1,.7,;-6.1,2.24,;-4.77,3.01,;-4.77,4.55,;-3.43,2.24,;-2.1,3.01,;-2.1,-1.61,;-.76,-2.38,;-3.43,-2.38,;-3.43,-3.92,;-4.77,-1.61,)|
CC1(CN)CN(C1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(4.88,-4.55,;3.79,-3.47,;5.33,-3.47,;6.1,-2.13,;2.3,-3.86,;1.9,-2.38,;3.39,-1.98,;.57,-1.61,;.57,-.07,;-.76,.7,;-.76,2.24,;-2.1,-.07,;-3.43,.7,;-4.77,-.07,;-6.1,.7,;-6.1,2.24,;-4.77,3.01,;-4.77,4.55,;-3.43,2.24,;-2.1,3.01,;-2.1,-1.61,;-.76,-2.38,;-3.43,-2.38,;-3.43,-3.92,;-4.77,-1.61,)|
CN1CC2CN(CC2C1)c1nc(C)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(7.76,.54,;6.22,.54,;5.31,-.7,;3.85,-.23,;2.39,-.7,;1.48,.54,;2.39,1.79,;3.85,1.31,;5.31,1.79,;-.06,.54,;-.83,1.88,;-2.37,1.88,;-3.14,3.21,;-3.14,.54,;-4.68,.54,;-5.45,-.79,;-6.99,-.79,;-7.76,.54,;-6.99,1.88,;-7.76,3.21,;-5.45,1.88,;-4.68,3.21,;-2.37,-.79,;-.83,-.79,;-3.14,-2.12,;-2.05,-3.21,;-4.68,-2.12,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CC(N)(CO)C1 |(-1.76,-3.33,;-.99,-2,;.55,-2,;1.32,-.67,;.55,.67,;-.99,.67,;-1.76,2,;-3.3,2,;-.99,3.33,;-1.76,-.67,;-3.3,-.67,;-4.07,.67,;-5.61,.67,;-6.38,-.67,;-5.61,-2,;-6.38,-3.33,;-4.07,-2,;-3.3,-3.33,;2.86,-.67,;3.95,-1.76,;5.04,-.67,;6.38,.1,;6.38,-1.44,;6.38,-2.98,;3.95,.42,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CC2N)C1 |(-2.65,-3.33,;-1.88,-2,;-.34,-2,;.43,-.67,;-.34,.67,;-1.88,.67,;-2.65,2,;-1.88,3.33,;-4.19,2,;-2.65,-.67,;-4.19,-.67,;-4.96,.67,;-6.5,.67,;-7.27,-.67,;-6.5,-2,;-7.27,-3.33,;-4.96,-2,;-4.19,-3.33,;1.97,-.67,;2.87,.58,;4.34,.1,;4.34,-1.44,;4.96,-2.84,;5.87,-1.6,;7.27,-.97,;2.87,-1.91,)|
CC1(N)CCN(CC1)c1ncc(-c2cccc3[nH]cnc23)c(n1)C(N)=O
CC1(N)CCN(CC1)c1ncc(-c2cccc3nonc23)c(n1)C(N)=O
CC1(N)CCN(CC1)c1nc(N)c(-c2ccc3cn[nH]c3c2Cl)c(n1)C(N)=O |(6.65,-3.16,;5.16,-3.55,;5.56,-5.04,;3.83,-4.32,;2.5,-3.55,;2.5,-2.01,;3.83,-1.24,;5.16,-2.01,;1.16,-1.24,;1.16,.3,;-.17,1.07,;-.17,2.61,;-1.51,.3,;-2.84,1.07,;-4.17,.3,;-5.51,1.07,;-5.51,2.61,;-6.65,3.64,;-6.02,5.04,;-4.49,4.88,;-4.17,3.38,;-2.84,2.61,;-1.51,3.38,;-1.51,-1.24,;-.17,-2.01,;-2.84,-2.01,;-4.17,-1.24,;-2.84,-3.55,)|
NC(=O)c1nc(N[C@@H]2CCNC[C@@H]2F)nc(N)c1-c1cccc(Cl)c1Cl |r,wU:7.6,12.13,(-3.33,-4.23,;-3.33,-2.69,;-4.67,-1.93,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;6,-.38,;4.67,.38,;3.33,-.38,;2,.38,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-6,.38,;-6,1.93,;-4.67,2.69,;-4.67,4.23,;-3.33,1.93,;-2,2.69,)|
N[C@H]1CCCC[C@H]1Nc1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |r,wU:6.7,1.0,(5.33,-2.69,;4,-3.47,;4,-5,;2.67,-5.78,;1.33,-5,;1.33,-3.47,;2.67,-2.69,;2.67,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;,3.47,;-1.33,1.15,;-1.33,-.38,;,-1.15,;-2.67,-1.15,;-2.67,-2.69,;-4,-.38,;-2.67,1.93,;-4,1.15,;-5.33,1.93,;-5.33,3.47,;-4,4.23,;-4,5.78,;-2.67,3.47,;-1.33,4.23,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)[C@@H]1N |r,wD:28.32,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-3.32,-1,;-1.98,-1.77,;-4.65,-1.77,;-4.65,-3.31,;-5.99,-1,;4.76,-2.68,;5.08,-1.18,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2CCC(C1)N2 |(-2.22,-3.33,;-1.45,-2,;.09,-2,;.86,-.67,;.09,.67,;-1.45,.67,;-2.22,2,;-1.45,3.33,;-3.76,2,;-2.22,-.67,;-3.76,-.67,;-4.53,.67,;-6.07,.67,;-6.84,-.67,;-6.07,-2,;-6.84,-3.33,;-4.53,-2,;-3.76,-3.33,;2.4,-.67,;2.97,-2,;4.5,-2.77,;5.59,-1.76,;6.84,-.86,;6.36,.61,;4.82,.61,;2.8,.82,;4.35,-.86,)|
NC1CN(C1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |(5.61,-4.39,;4.28,-3.62,;2.79,-4.02,;2.39,-2.54,;3.88,-2.14,;1.06,-1.77,;1.06,-.23,;-.28,.54,;-.28,2.08,;-1.61,-.23,;-1.61,-1.77,;-.28,-2.54,;-2.94,-2.54,;-2.94,-4.08,;-4.28,-1.77,;-2.94,.54,;-4.28,-.23,;-5.61,.54,;-5.61,2.08,;-4.28,2.85,;-4.28,4.39,;-2.94,2.08,;-1.61,2.85,)|
NC[C@H]1[C@@H]2CN(C[C@H]12)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:7.6,3.3,wD:2.1,(6.27,-5.55,;6.27,-4.01,;4.94,-3.24,;4.17,-1.9,;3.14,-.76,;1.73,-1.38,;1.89,-2.92,;3.4,-3.24,;.4,-.61,;.4,.93,;-.94,1.7,;-.94,3.24,;-2.27,.93,;-3.6,1.7,;-4.94,.93,;-6.27,1.7,;-6.27,3.24,;-4.94,4.01,;-4.94,5.55,;-3.6,3.24,;-2.27,4.01,;-2.27,-.61,;-.94,-1.38,;-3.6,-1.38,;-3.6,-2.92,;-4.94,-.61,)|
NCC1CCN1c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(5.9,-.96,;4.36,-.96,;3.59,-2.3,;3.99,-3.78,;2.5,-4.18,;2.1,-2.69,;.77,-1.93,;.77,-.38,;-.57,.38,;-.57,1.93,;-1.9,-.38,;-3.23,.38,;-4.57,-.38,;-5.9,.38,;-5.9,1.93,;-4.57,2.69,;-4.57,4.23,;-3.23,1.93,;-1.9,2.69,;-1.9,-1.93,;-.57,-2.69,;-3.23,-2.69,;-3.23,-4.23,;-4.57,-1.93,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@H]2CC[C@@H](N)[C@H]2C1 |r,wU:20.22,25.28,23.25,(-2.25,3.29,;-1.48,1.95,;.06,1.95,;.83,.62,;.06,-.71,;-1.48,-.71,;-2.25,-2.05,;-1.16,-3.14,;-3.79,-2.05,;-2.25,.62,;-3.79,.62,;-4.56,-.71,;-6.1,-.71,;-6.87,.62,;-6.1,1.95,;-6.87,3.29,;-4.56,1.95,;-3.79,3.29,;2.37,.62,;3.61,1.53,;4.86,.62,;6.4,.62,;6.87,-.84,;5.63,-1.75,;5.63,-3.29,;4.38,-.84,;2.84,-.84,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@H]2CCC(N)[C@@H]2C1 |r,wU:20.22,wD:25.28,(-2.25,3.29,;-1.48,1.95,;.06,1.95,;.83,.62,;.06,-.71,;-1.48,-.71,;-2.25,-2.05,;-1.16,-3.14,;-3.79,-2.05,;-2.25,.62,;-3.79,.62,;-4.56,-.71,;-6.1,-.71,;-6.87,.62,;-6.1,1.95,;-6.87,3.29,;-4.56,1.95,;-3.79,3.29,;2.37,.62,;3.61,1.53,;4.86,.62,;6.4,.62,;6.87,-.84,;5.63,-1.75,;5.63,-3.29,;4.38,-.84,;2.84,-.84,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@@H]2CC[C@H](N)[C@@H]2C1 |r,wD:20.22,25.28,23.25,(-2.25,3.29,;-1.48,1.95,;.06,1.95,;.83,.62,;.06,-.71,;-1.48,-.71,;-2.25,-2.05,;-1.16,-3.14,;-3.79,-2.05,;-2.25,.62,;-3.79,.62,;-4.56,-.71,;-6.1,-.71,;-6.87,.62,;-6.1,1.95,;-6.87,3.29,;-4.56,1.95,;-3.79,3.29,;2.37,.62,;3.61,1.53,;4.86,.62,;6.4,.62,;6.87,-.84,;5.63,-1.75,;5.63,-3.29,;4.38,-.84,;2.84,-.84,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@@H]2CC[C@@H](N)[C@@H]2C1 |r,wU:23.25,wD:20.22,25.28,(-2.25,3.29,;-1.48,1.95,;.06,1.95,;.83,.62,;.06,-.71,;-1.48,-.71,;-2.25,-2.05,;-1.16,-3.14,;-3.79,-2.05,;-2.25,.62,;-3.79,.62,;-4.56,-.71,;-6.1,-.71,;-6.87,.62,;-6.1,1.95,;-6.87,3.29,;-4.56,1.95,;-3.79,3.29,;2.37,.62,;3.61,1.53,;4.86,.62,;6.4,.62,;6.87,-.84,;5.63,-1.75,;5.63,-3.29,;4.38,-.84,;2.84,-.84,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@@H]2CCC(N)[C@H]2C1 |r,wU:25.28,wD:20.22,(-2.25,3.29,;-1.48,1.95,;.06,1.95,;.83,.62,;.06,-.71,;-1.48,-.71,;-2.25,-2.05,;-1.16,-3.14,;-3.79,-2.05,;-2.25,.62,;-3.79,.62,;-4.56,-.71,;-6.1,-.71,;-6.87,.62,;-6.1,1.95,;-6.87,3.29,;-4.56,1.95,;-3.79,3.29,;2.37,.62,;3.61,1.53,;4.86,.62,;6.4,.62,;6.87,-.84,;5.63,-1.75,;5.63,-3.29,;4.38,-.84,;2.84,-.84,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@H]2CC[C@H](N)[C@H]2C1 |r,wU:20.22,25.28,wD:23.25,(-2.25,3.29,;-1.48,1.95,;.06,1.95,;.83,.62,;.06,-.71,;-1.48,-.71,;-2.25,-2.05,;-1.16,-3.14,;-3.79,-2.05,;-2.25,.62,;-3.79,.62,;-4.56,-.71,;-6.1,-.71,;-6.87,.62,;-6.1,1.95,;-6.87,3.29,;-4.56,1.95,;-3.79,3.29,;2.37,.62,;3.61,1.53,;4.86,.62,;6.4,.62,;6.87,-.84,;5.63,-1.75,;5.63,-3.29,;4.38,-.84,;2.84,-.84,)|
CC1(N)CCN(CC1)c1nc(Cl)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |(-6.75,-2.4,;-5.26,-2.8,;-6.03,-4.13,;-3.92,-3.57,;-2.59,-2.8,;-2.59,-1.26,;-3.92,-.49,;-5.26,-1.26,;-1.26,-.49,;.08,-1.26,;1.41,-.49,;2.74,-1.26,;1.41,1.05,;.08,1.82,;-1.26,1.05,;.08,3.36,;-1.26,4.13,;1.41,4.13,;2.74,1.82,;2.74,3.36,;4.08,4.13,;5.41,3.36,;5.41,1.82,;6.75,1.05,;4.08,1.05,;4.85,-.28,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@@H](N)[C@@H](O)C1 |r,wU:20.22,22.24,(-1.81,-3.33,;-1.04,-2,;.5,-2,;1.27,-.67,;.5,.67,;-1.04,.67,;-1.81,2,;-3.35,2,;-1.04,3.33,;-1.81,-.67,;-3.35,-.67,;-4.12,.67,;-5.66,.67,;-6.43,-.67,;-5.66,-2,;-6.43,-3.33,;-4.12,-2,;-3.35,-3.33,;2.81,-.67,;3.72,.58,;5.18,.1,;6.43,1.01,;5.18,-1.44,;6.43,-2.34,;3.72,-1.91,)|
Cc1nc(nc(C(N)=O)c1-c1ccnc(Cl)c1Cl)N1CCC(C)(N)CC1 |(-2.21,3.21,;-1.44,1.88,;.1,1.88,;.87,.54,;.1,-.79,;-1.44,-.79,;-2.21,-2.12,;-1.12,-3.21,;-3.75,-2.12,;-2.21,.54,;-3.75,.54,;-4.52,-.79,;-6.06,-.79,;-6.83,.54,;-6.06,1.88,;-6.83,3.21,;-4.52,1.88,;-3.75,3.21,;2.41,.54,;3.18,1.88,;4.72,1.88,;5.49,.54,;6.58,-.54,;6.83,1.31,;4.72,-.79,;3.18,-.79,)|
Cc1nc(nc(C(N)=O)c1-c1ccc(F)cc1Cl)N1CCC(C)(N)CC1 |(-1.44,3.21,;-.67,1.88,;.87,1.88,;1.64,.54,;.87,-.79,;-.67,-.79,;-1.44,-2.12,;-.35,-3.21,;-2.98,-2.12,;-1.44,.54,;-2.98,.54,;-3.75,-.79,;-5.29,-.79,;-6.06,.54,;-7.6,.54,;-5.29,1.88,;-3.75,1.88,;-2.98,3.21,;3.18,.54,;3.95,1.88,;5.49,1.88,;6.26,.54,;7.35,-.54,;7.6,1.31,;5.49,-.79,;3.95,-.79,)|
Cc1nc(nc(C(N)=O)c1-c1cnccc1Cl)N1CCC(C)(N)CC1 |(-2.21,3.21,;-1.44,1.88,;.1,1.88,;.87,.54,;.1,-.79,;-1.44,-.79,;-2.21,-2.12,;-1.12,-3.21,;-3.75,-2.12,;-2.21,.54,;-3.75,.54,;-4.52,-.79,;-6.06,-.79,;-6.83,.54,;-6.06,1.88,;-4.52,1.88,;-3.75,3.21,;2.41,.54,;3.18,1.88,;4.72,1.88,;5.49,.54,;6.58,-.54,;6.83,1.31,;4.72,-.79,;3.18,-.79,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@H](N)[C@@H](O)C1 |r,wU:22.24,wD:20.22,(-1.81,-3.33,;-1.04,-2,;.5,-2,;1.27,-.67,;.5,.67,;-1.04,.67,;-1.81,2,;-3.35,2,;-1.04,3.33,;-1.81,-.67,;-3.35,-.67,;-4.12,.67,;-5.66,.67,;-6.43,-.67,;-5.66,-2,;-6.43,-3.33,;-4.12,-2,;-3.35,-3.33,;2.81,-.67,;3.72,.58,;5.18,.1,;6.43,1.01,;5.18,-1.44,;6.43,-2.34,;3.72,-1.91,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)[C@@H]1N |r,wD:28.32,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;3.35,-1.77,;2.02,-1,;.68,-1.77,;.68,-3.31,;2.02,-4.08,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-3.32,-1,;-1.98,-1.77,;-4.65,-1.77,;-4.65,-3.31,;-5.99,-1,;4.76,-2.68,;5.08,-1.18,)|
Cc1nc(nc(C(N)=O)c1-c1ccncc1)N1CCC(C)(N)CC1
Cc1nc(N[C@H]2CCC[C@@H](N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl |r,wU:5.4,9.9,(-2.31,2.67,;-1.54,1.33,;,1.33,;.77,,;2.31,,;3.08,1.33,;2.31,2.67,;3.08,4,;4.62,4,;5.39,2.67,;6.93,2.67,;4.62,1.33,;,-1.33,;-1.54,-1.33,;-2.31,-2.67,;-1.54,-4,;-3.85,-2.67,;-2.31,,;-3.85,,;-4.62,-1.33,;-6.16,-1.33,;-6.93,,;-6.16,1.33,;-6.93,2.67,;-4.62,1.33,;-3.85,2.67,)|
Cc1nc(N[C@@H]2CCC[C@H](N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl |r,wD:5.4,9.9,(-2.31,2.67,;-1.54,1.33,;,1.33,;.77,,;2.31,,;3.08,1.33,;2.31,2.67,;3.08,4,;4.62,4,;5.39,2.67,;6.93,2.67,;4.62,1.33,;,-1.33,;-1.54,-1.33,;-2.31,-2.67,;-1.54,-4,;-3.85,-2.67,;-2.31,,;-3.85,,;-4.62,-1.33,;-6.16,-1.33,;-6.93,,;-6.16,1.33,;-6.93,2.67,;-4.62,1.33,;-3.85,2.67,)|
CC1(N)CCCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |(5.17,-5.01,;4.76,-3.53,;6.3,-3.52,;5.16,-2.04,;4.24,-.8,;2.7,-.75,;1.7,-1.92,;1.99,-3.43,;3.35,-4.15,;.36,-1.15,;.36,.39,;-.97,1.16,;-.97,2.7,;-2.3,.39,;-2.3,-1.15,;-.97,-1.92,;-3.39,-2.24,;-2.8,-3.66,;-4.93,-2.24,;-3.64,1.16,;-4.97,.39,;-6.3,1.16,;-6.3,2.7,;-4.97,3.47,;-4.97,5.01,;-3.64,2.7,;-2.3,3.47,)|
Cc1nc(N[C@@H]2CC[C@H](N)CC2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl |r,wU:5.4,8.8,(-1.08,2.8,;-1.08,1.26,;.25,.49,;.25,-1.05,;1.59,-1.82,;3.13,-1.82,;3.9,-3.16,;5.44,-3.16,;6.21,-1.82,;7.75,-1.82,;5.44,-.49,;3.9,-.49,;-1.08,-1.82,;-2.41,-1.05,;-3.5,-2.14,;-2.91,-3.57,;-5.04,-2.14,;-2.41,.49,;-3.75,1.26,;-3.75,2.8,;-5.08,3.57,;-6.41,2.8,;-6.41,1.26,;-7.75,.49,;-5.08,.49,;-5.08,-1.05,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)[C@@H]1N |r,wD:28.32,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-3.32,-1,;-1.98,-1.77,;-4.65,-1.77,;-4.65,-3.31,;-5.99,-1,;4.76,-2.68,;5.08,-1.18,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CC(F)(F)C[C@H]2N)CC1 |r,wD:27.30,(-1.6,3.62,;-1.6,2.08,;-.27,1.31,;-.27,-.23,;-1.6,-1,;-2.94,-.23,;-4.27,-1,;-4.27,-2.54,;-5.6,-.23,;-2.94,1.31,;-4.27,2.08,;-5.6,1.31,;-6.94,2.08,;-6.94,3.62,;-5.6,4.39,;-5.6,5.93,;-4.27,3.62,;-2.94,4.39,;1.06,-1,;1.06,-2.54,;2.4,-3.31,;3.73,-2.54,;3.89,-4.07,;5.4,-4.39,;6.94,-4.39,;5.4,-5.93,;6.17,-3.06,;5.14,-1.91,;5.46,-.41,;3.73,-1,;2.4,-.23,)|
NC[C@@]12CCC[C@@H]1CN(C2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:2.1,wD:6.7,(4.76,.43,;5.16,-1.06,;4.39,-2.39,;5.89,-2.71,;6.05,-4.24,;4.65,-4.87,;3.62,-3.72,;2.11,-3.4,;1.95,-1.87,;3.36,-1.25,;.62,-1.1,;.62,.44,;-.72,1.21,;-.72,2.75,;-2.05,.44,;-3.39,1.21,;-4.72,.44,;-6.05,1.21,;-6.05,2.75,;-4.72,3.52,;-4.72,5.06,;-3.39,2.75,;-2.05,3.52,;-2.05,-1.1,;-.72,-1.87,;-3.39,-1.87,;-3.39,-3.41,;-4.72,-1.1,)|
NC[C@]12CN(C[C@H]1CCCC2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:2.1,wD:6.5,(4.44,.43,;4.83,-1.06,;4.06,-2.39,;3.03,-1.25,;1.63,-1.87,;1.79,-3.4,;3.29,-3.72,;4.06,-5.06,;5.6,-5.06,;6.37,-3.72,;5.6,-2.39,;.29,-1.1,;.29,.44,;-1.04,1.21,;-1.04,2.75,;-2.37,.44,;-3.71,1.21,;-5.04,.44,;-6.37,1.21,;-6.37,2.75,;-5.04,3.52,;-5.04,5.06,;-3.71,2.75,;-2.37,3.52,;-2.37,-1.1,;-1.04,-1.87,;-3.71,-1.87,;-3.71,-3.41,;-5.04,-1.1,)|
NC[C@@]12CN(C[C@@H]1CCCC2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:6.5,wD:2.1,(4.44,.43,;4.83,-1.06,;4.06,-2.39,;3.03,-1.25,;1.63,-1.87,;1.79,-3.4,;3.29,-3.72,;4.06,-5.06,;5.6,-5.06,;6.37,-3.72,;5.6,-2.39,;.29,-1.1,;.29,.44,;-1.04,1.21,;-1.04,2.75,;-2.37,.44,;-3.71,1.21,;-5.04,.44,;-6.37,1.21,;-6.37,2.75,;-5.04,3.52,;-5.04,5.06,;-3.71,2.75,;-2.37,3.52,;-2.37,-1.1,;-1.04,-1.87,;-3.71,-1.87,;-3.71,-3.41,;-5.04,-1.1,)|
NC[C@]12CCC[C@H]1CN(C2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:6.7,wD:2.1,(4.76,.43,;5.16,-1.06,;4.39,-2.39,;5.89,-2.71,;6.05,-4.24,;4.65,-4.87,;3.62,-3.72,;2.11,-3.4,;1.95,-1.87,;3.36,-1.25,;.62,-1.1,;.62,.44,;-.72,1.21,;-.72,2.75,;-2.05,.44,;-3.39,1.21,;-4.72,.44,;-6.05,1.21,;-6.05,2.75,;-4.72,3.52,;-4.72,5.06,;-3.39,2.75,;-2.05,3.52,;-2.05,-1.1,;-.72,-1.87,;-3.39,-1.87,;-3.39,-3.41,;-4.72,-1.1,)|
NC(=O)c1nc(nc(N)c1-c1cccc(Cl)c1Cl)N1CCC(N)(CC1)C(F)F |(-3.82,-3.46,;-3.82,-1.92,;-5.16,-1.15,;-2.49,-1.16,;-1.15,-1.93,;.18,-1.16,;.18,.38,;-1.15,1.15,;-1.15,2.69,;-2.49,.38,;-3.82,1.15,;-5.16,.38,;-6.49,1.15,;-6.49,2.69,;-5.16,3.46,;-5.16,5,;-3.82,2.69,;-2.49,3.46,;1.51,-1.93,;1.51,-3.46,;2.85,-4.24,;4.18,-3.46,;4.18,-5,;4.18,-1.93,;2.85,-1.15,;5.72,-3.46,;6.49,-4.8,;6.49,-2.13,)|
C[C@]1(N)CCCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |r,wU:1.0,wD:1.1,(5,-5.11,;4.72,-3.59,;6.26,-3.59,;5.19,-2.13,;4.34,-.84,;2.81,-.71,;1.74,-1.82,;1.95,-3.35,;3.28,-4.14,;.41,-1.05,;.41,.49,;-.92,1.26,;-.92,2.8,;-2.26,.49,;-2.26,-1.05,;-.92,-1.82,;-3.35,-2.14,;-2.58,-3.48,;-4.89,-2.14,;-3.59,1.26,;-4.92,.49,;-6.26,1.26,;-6.26,2.8,;-4.92,3.57,;-4.92,5.11,;-3.59,2.8,;-2.26,3.57,)|
C[C@@]1(N)CCCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |r,wU:1.1,wD:1.0,(-2.2,-5.83,;-.72,-5.44,;-.72,-6.98,;.8,-5.72,;1.96,-4.72,;1.96,-3.18,;.67,-2.26,;-.82,-2.66,;-1.44,-4.07,;.67,-.72,;2,.05,;2,1.59,;3.33,2.36,;.67,2.36,;-.67,1.59,;-.67,.05,;-2,2.36,;-3.33,1.59,;-2,3.9,;.67,3.9,;-.67,4.67,;-.67,6.21,;.67,6.98,;2,6.21,;3.33,6.98,;2,4.67,;3.33,3.9,)|
C[C@]1(N)CCCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |r,wU:1.0,wD:1.1,(-2.2,-5.83,;-.72,-5.44,;-.72,-6.98,;.8,-5.72,;1.96,-4.72,;1.96,-3.18,;.67,-2.26,;-.82,-2.66,;-1.44,-4.07,;.67,-.72,;2,.05,;2,1.59,;3.33,2.36,;.67,2.36,;-.67,1.59,;-.67,.05,;-2,2.36,;-3.33,1.59,;-2,3.9,;.67,3.9,;-.67,4.67,;-.67,6.21,;.67,6.98,;2,6.21,;3.33,6.98,;2,4.67,;3.33,3.9,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(c1Cl)C(F)(F)F)N1CCC(C)(N)CC1 |(2.55,1.46,;1.21,.69,;1.21,-.85,;-.12,-1.62,;-1.46,-.85,;-1.46,.69,;-2.79,1.46,;-3.88,.37,;-2.79,3,;-.12,1.46,;-.12,3,;-1.46,3.77,;-1.46,5.31,;-.12,6.08,;1.21,5.31,;1.21,3.77,;2.55,3,;2.55,6.08,;3.63,4.99,;2.15,7.57,;3.88,6.85,;-.12,-3.16,;1.21,-3.93,;1.21,-5.47,;-.12,-6.24,;-1.21,-7.33,;.65,-7.57,;-1.46,-5.47,;-1.46,-3.93,)|
CN([C@H]1CC[C@H](N)CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:2.1,wD:5.5,(1.19,-3.36,;1.59,-1.87,;3.13,-1.87,;3.9,-.53,;5.44,-.53,;6.21,-1.87,;7.75,-1.87,;5.44,-3.2,;3.9,-3.2,;.25,-1.1,;.25,.44,;-1.08,1.21,;-1.08,2.75,;-2.41,.44,;-3.75,1.21,;-3.75,2.75,;-5.08,3.52,;-6.41,2.75,;-6.41,1.21,;-7.75,.44,;-5.08,.44,;-5.08,-1.1,;-2.41,-1.1,;-1.08,-1.87,;-3.5,-2.19,;-2.73,-3.52,;-5.04,-2.19,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@H]2N)CC1 |r,wD:25.28,(-1.22,2.85,;-1.22,1.31,;.11,.54,;.11,-1,;-1.22,-1.77,;-2.55,-1,;-3.89,-1.77,;-3.89,-3.31,;-5.22,-1,;-2.55,.54,;-3.89,1.31,;-5.22,.54,;-6.55,1.31,;-6.55,2.85,;-5.22,3.62,;-5.22,5.16,;-3.89,2.85,;-2.55,3.62,;1.45,-1.77,;2.78,-1,;4.12,-1.77,;4.12,-3.31,;4.28,-4.84,;5.78,-5.16,;6.55,-3.83,;5.52,-2.68,;5.84,-1.18,;2.78,-4.08,;1.45,-3.31,)|
COc1c(F)ccc(c1Cl)-c1c(C)nc(nc1C(N)=O)N1CCC(C)(N)CC1 |(-2.67,5.36,;-4,4.59,;-4,3.05,;-5.33,2.28,;-6.67,3.05,;-5.33,.74,;-4,-.03,;-2.67,.74,;-2.67,2.28,;-1.33,3.05,;-1.33,-.03,;,.74,;,2.28,;1.33,-.03,;1.33,-1.57,;,-2.34,;-1.33,-1.57,;-2.67,-2.34,;-2.67,-3.88,;-4,-1.57,;2.67,-2.34,;2.67,-3.88,;4,-4.65,;5.33,-3.88,;5.73,-5.36,;6.67,-3.11,;5.33,-2.34,;4,-1.57,)|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(N)c(C2=C(Cl)C(Cl)=CCC2)c(n1)C(N)=O |r,c:23,27|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(N)c(C2=CC=C[C@H](Cl)[C@@H]2Cl)c(n1)C(N)=O |r,c:25,t:23|
N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:1.0,(4.07,3.3,;4.55,1.84,;6.01,1.36,;7.34,2.13,;8.68,1.36,;8.68,-.18,;7.34,-.95,;6.01,-.18,;4.55,-.66,;3.64,.59,;2.87,1.92,;1.33,1.92,;.56,.59,;1.33,-.74,;2.87,-.74,;-.98,.59,;-1.75,1.92,;-3.29,1.92,;-4.06,3.26,;-4.06,.59,;-5.6,.59,;-6.37,-.74,;-7.91,-.74,;-8.68,.59,;-7.91,1.92,;-8.68,3.26,;-6.37,1.92,;-6.77,3.41,;-3.29,-.74,;-1.75,-.74,;-4.06,-2.08,;-3.29,-3.41,;-5.6,-2.08,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(Cl)c3Cl)c3nccn23)[C@@H]1N |r,wD:28.33,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;3.35,-1.77,;2.02,-1,;.68,-1.77,;.68,-3.31,;2.02,-4.08,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-3.32,-1,;-4.46,-2.03,;-3.84,-3.44,;-2.3,-3.28,;-1.98,-1.77,;4.76,-2.68,;5.08,-1.18,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc2[nH]ccc12 |r,wD:11.12,(-1.22,2.79,;-1.22,1.25,;.11,.48,;.11,-1.06,;1.45,-1.83,;2.78,-1.06,;4.12,-1.83,;4.12,-3.37,;4.28,-4.9,;5.78,-5.22,;6.55,-3.89,;5.52,-2.75,;5.84,-1.24,;2.78,-4.14,;1.45,-3.37,;-1.22,-1.83,;-1.54,-3.34,;-3.07,-3.5,;-3.7,-2.09,;-2.55,-1.06,;-2.55,.48,;-3.89,1.25,;-5.22,.48,;-6.55,1.25,;-6.55,2.79,;-5.22,3.56,;-4.9,5.06,;-3.37,5.22,;-2.74,3.82,;-3.89,2.79,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc2cc[nH]c12 |r,wD:11.12,(-1.22,2.79,;-1.22,1.25,;.11,.48,;.11,-1.06,;1.45,-1.83,;2.78,-1.06,;4.12,-1.83,;4.12,-3.37,;4.28,-4.9,;5.78,-5.22,;6.55,-3.89,;5.52,-2.75,;5.84,-1.24,;2.78,-4.14,;1.45,-3.37,;-1.22,-1.83,;-1.54,-3.34,;-3.07,-3.5,;-3.7,-2.09,;-2.55,-1.06,;-2.55,.48,;-3.89,1.25,;-5.22,.48,;-6.55,1.25,;-6.55,2.79,;-5.22,3.56,;-4.9,5.06,;-3.37,5.22,;-2.74,3.82,;-3.89,2.79,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccncc1 |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccccc1 |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccccn1 |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(c1)C(F)(F)F |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccccc1Cl |r,wD:11.12,(-1.22,3.62,;-1.22,2.08,;.11,1.31,;.11,-.23,;1.45,-1,;2.78,-.23,;4.12,-1,;4.12,-2.54,;4.28,-4.07,;5.78,-4.39,;6.55,-3.06,;5.52,-1.91,;5.84,-.41,;2.78,-3.31,;1.45,-2.54,;-1.22,-1,;-1.54,-2.51,;-3.07,-2.67,;-3.7,-1.26,;-2.55,-.23,;-2.55,1.31,;-3.89,2.08,;-3.89,3.62,;-5.22,4.39,;-6.55,3.62,;-6.55,2.08,;-5.22,1.31,;-5.22,-.23,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl |r,wD:11.12,(-.55,3.62,;-.55,2.08,;.78,1.31,;.78,-.23,;2.12,-1,;3.45,-.23,;4.78,-1,;4.78,-2.54,;4.94,-4.07,;6.45,-4.39,;7.22,-3.06,;6.19,-1.91,;6.51,-.41,;3.45,-3.31,;2.12,-2.54,;-.55,-1,;-.87,-2.51,;-2.4,-2.67,;-3.03,-1.26,;-1.89,-.23,;-1.89,1.31,;-3.22,2.08,;-3.22,3.62,;-4.55,4.39,;-5.89,3.62,;-5.89,2.08,;-7.22,1.31,;-4.55,1.31,;-4.55,-.23,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl |r,wD:11.12,(-1.22,2.85,;-1.22,1.31,;.11,.54,;.11,-1,;1.45,-1.77,;2.78,-1,;4.12,-1.77,;4.12,-3.31,;4.28,-4.84,;5.78,-5.16,;6.55,-3.83,;5.52,-2.68,;5.84,-1.18,;2.78,-4.08,;1.45,-3.31,;-1.22,-1.77,;-1.54,-3.28,;-3.07,-3.44,;-3.7,-2.03,;-2.55,-1,;-2.55,.54,;-3.89,1.31,;-5.22,.54,;-6.55,1.31,;-6.55,2.85,;-5.22,3.62,;-5.22,5.16,;-3.89,2.85,;-2.55,3.62,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1sccc1Cl |r,wD:11.12,(-1.33,3.49,;-1.33,1.95,;,1.18,;,-.36,;1.33,-1.13,;2.67,-.36,;4,-1.13,;4,-2.67,;4.16,-4.2,;5.67,-4.52,;6.44,-3.18,;5.41,-2.04,;5.73,-.53,;2.67,-3.44,;1.33,-2.67,;-1.33,-1.13,;-1.65,-2.63,;-3.19,-2.79,;-3.81,-1.39,;-2.67,-.36,;-2.67,1.18,;-4,1.95,;-5.41,1.33,;-6.44,2.47,;-5.67,3.81,;-4.16,3.49,;-3.02,4.52,)|
Cc1c(cnn1C)-c1c(C)nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc12 |r,wD:19.21,(-3.02,4.17,;-4.16,3.14,;-4,1.61,;-5.41,.98,;-6.44,2.12,;-5.67,3.46,;-6.29,4.87,;-2.67,.84,;-1.33,1.61,;-1.33,3.15,;,.84,;,-.7,;1.33,-1.47,;2.67,-.7,;4,-1.47,;4,-3.01,;4.16,-4.54,;5.67,-4.87,;6.44,-3.53,;5.41,-2.39,;5.73,-.88,;2.67,-3.78,;1.33,-3.01,;-1.33,-1.47,;-1.65,-2.98,;-3.19,-3.14,;-3.81,-1.73,;-2.67,-.7,)|
Cc1cnn(C)c1-c1c(C)nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc12 |r,wD:19.21,(-5.73,-.18,;-5.41,1.33,;-6.44,2.47,;-5.67,3.81,;-4.16,3.49,;-3.02,4.52,;-4,1.95,;-2.67,1.18,;-1.33,1.95,;-1.33,3.49,;,1.18,;,-.36,;1.33,-1.13,;2.67,-.36,;4,-1.13,;4,-2.67,;4.16,-4.2,;5.67,-4.52,;6.44,-3.18,;5.41,-2.04,;5.73,-.53,;2.67,-3.44,;1.33,-2.67,;-1.33,-1.13,;-1.65,-2.63,;-3.19,-2.79,;-3.81,-1.39,;-2.67,-.36,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cnc2ccccn12 |r,wD:11.12,(-.34,3.85,;-.34,2.31,;.99,1.54,;.99,,;2.32,-.77,;3.66,,;4.99,-.77,;4.99,-2.31,;5.15,-3.84,;6.66,-4.16,;7.43,-2.83,;6.4,-1.68,;6.72,-.18,;3.66,-3.08,;2.32,-2.31,;-.34,-.77,;-.66,-2.28,;-2.19,-2.44,;-2.82,-1.03,;-1.68,,;-1.68,1.54,;-3.01,2.31,;-3.17,3.84,;-4.68,4.16,;-5.45,2.83,;-6.95,2.51,;-7.43,1.04,;-6.4,-.1,;-4.89,.22,;-4.42,1.68,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cc(N)ncc1Cl |r,wD:11.12,(-1.22,2.85,;-1.22,1.31,;.11,.54,;.11,-1,;1.45,-1.77,;2.78,-1,;4.12,-1.77,;4.12,-3.31,;4.28,-4.84,;5.78,-5.16,;6.55,-3.83,;5.52,-2.68,;5.84,-1.18,;2.78,-4.08,;1.45,-3.31,;-1.22,-1.77,;-1.54,-3.28,;-3.07,-3.44,;-3.7,-2.03,;-2.55,-1,;-2.55,.54,;-3.89,1.31,;-3.89,2.85,;-5.22,3.62,;-5.22,5.16,;-6.55,2.85,;-6.55,1.31,;-5.22,.54,;-5.22,-1,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1Sc1ccc(N)nc1C(F)(F)F |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1Sc1ccnc(N)c1Cl |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccnc1C(F)(F)F |r,wD:11.12,(-1.22,2.95,;-1.22,1.41,;.11,.64,;.11,-.9,;1.45,-1.67,;2.78,-.9,;4.12,-1.67,;4.12,-3.21,;4.28,-4.74,;5.78,-5.06,;6.55,-3.72,;5.52,-2.58,;5.84,-1.07,;2.78,-3.98,;1.45,-3.21,;-1.22,-1.67,;-1.54,-3.17,;-3.07,-3.33,;-3.7,-1.93,;-2.55,-.9,;-2.55,.64,;-3.89,1.41,;-5.22,.64,;-6.55,1.41,;-6.55,2.95,;-5.22,3.72,;-3.84,2.98,;-2.5,3.75,;-1.17,4.52,;-3.27,5.09,;-1.73,2.42,)|
Cc1noc(C)c1-c1c(C)nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc12 |r,wD:19.21,(-5.73,-.18,;-5.41,1.33,;-6.44,2.47,;-5.67,3.81,;-4.16,3.49,;-3.02,4.52,;-4,1.95,;-2.67,1.18,;-1.33,1.95,;-1.33,3.49,;,1.18,;,-.36,;1.33,-1.13,;2.67,-.36,;4,-1.13,;4,-2.67,;4.16,-4.2,;5.67,-4.52,;6.44,-3.18,;5.41,-2.04,;5.73,-.53,;2.67,-3.44,;1.33,-2.67,;-1.33,-1.13,;-1.65,-2.63,;-3.19,-2.79,;-3.81,-1.39,;-2.67,-.36,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccccc1C(F)(F)F |r,wD:11.12,(-1.22,2.95,;-1.22,1.41,;.11,.64,;.11,-.9,;1.45,-1.67,;2.78,-.9,;4.12,-1.67,;4.12,-3.21,;4.28,-4.74,;5.78,-5.06,;6.55,-3.72,;5.52,-2.58,;5.84,-1.07,;2.78,-3.98,;1.45,-3.21,;-1.22,-1.67,;-1.54,-3.17,;-3.07,-3.33,;-3.7,-1.93,;-2.55,-.9,;-2.55,.64,;-3.89,1.41,;-5.22,.64,;-6.55,1.41,;-6.55,2.95,;-5.22,3.72,;-3.84,2.98,;-2.5,3.75,;-1.17,4.52,;-3.27,5.09,;-1.73,2.42,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccnc1 |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1 |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccnc(c1)C(F)(F)F |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccc(Cl)c(Cl)c1 |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccc(Cl)cc1Cl |r,wD:11.12,(-.55,3.62,;-.55,2.08,;.78,1.31,;.78,-.23,;2.12,-1,;3.45,-.23,;4.78,-1,;4.78,-2.54,;4.94,-4.07,;6.45,-4.39,;7.22,-3.06,;6.19,-1.91,;6.51,-.41,;3.45,-3.31,;2.12,-2.54,;-.55,-1,;-.87,-2.51,;-2.4,-2.67,;-3.03,-1.26,;-1.89,-.23,;-1.89,1.31,;-3.22,2.08,;-4.55,1.31,;-5.89,2.08,;-5.89,3.62,;-7.22,4.39,;-4.55,4.39,;-3.22,3.62,;-1.89,4.39,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cnc(N)c(Cl)c1Cl |r,wD:11.12,(-.55,2.85,;-.55,1.31,;.78,.54,;.78,-1,;2.12,-1.77,;3.45,-1,;4.78,-1.77,;4.78,-3.31,;4.94,-4.84,;6.45,-5.16,;7.22,-3.83,;6.19,-2.68,;6.51,-1.18,;3.45,-4.08,;2.12,-3.31,;-.55,-1.77,;-.87,-3.28,;-2.4,-3.44,;-3.03,-2.03,;-1.89,-1,;-1.89,.54,;-3.22,1.31,;-4.55,.54,;-5.89,1.31,;-5.89,2.85,;-7.22,3.62,;-4.55,3.62,;-4.55,5.16,;-3.22,2.85,;-1.89,3.62,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccnc(F)c1Cl |r,wD:11.12,(-1.22,2.85,;-1.22,1.31,;.11,.54,;.11,-1,;1.45,-1.77,;2.78,-1,;4.12,-1.77,;4.12,-3.31,;4.28,-4.84,;5.78,-5.16,;6.55,-3.83,;5.52,-2.68,;5.84,-1.18,;2.78,-4.08,;1.45,-3.31,;-1.22,-1.77,;-1.54,-3.28,;-3.07,-3.44,;-3.7,-2.03,;-2.55,-1,;-2.55,.54,;-3.89,1.31,;-5.22,.54,;-6.55,1.31,;-6.55,2.85,;-5.22,3.62,;-5.22,5.16,;-3.89,2.85,;-2.55,3.62,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccnc(N)c1Cl |r,wD:11.12,(-1.22,2.85,;-1.22,1.31,;.11,.54,;.11,-1,;1.45,-1.77,;2.78,-1,;4.12,-1.77,;4.12,-3.31,;4.28,-4.84,;5.78,-5.16,;6.55,-3.83,;5.52,-2.68,;5.84,-1.18,;2.78,-4.08,;1.45,-3.31,;-1.22,-1.77,;-1.54,-3.28,;-3.07,-3.44,;-3.7,-2.03,;-2.55,-1,;-2.55,.54,;-3.89,1.31,;-5.22,.54,;-6.55,1.31,;-6.55,2.85,;-5.22,3.62,;-5.22,5.16,;-3.89,2.85,;-2.55,3.62,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccc(N)c(Cl)c1Cl |r,wD:11.12,(-.55,2.85,;-.55,1.31,;.78,.54,;.78,-1,;2.12,-1.77,;3.45,-1,;4.78,-1.77,;4.78,-3.31,;4.94,-4.84,;6.45,-5.16,;7.22,-3.83,;6.19,-2.68,;6.51,-1.18,;3.45,-4.08,;2.12,-3.31,;-.55,-1.77,;-.87,-3.28,;-2.4,-3.44,;-3.03,-2.03,;-1.89,-1,;-1.89,.54,;-3.22,1.31,;-4.55,.54,;-5.89,1.31,;-5.89,2.85,;-7.22,3.62,;-4.55,3.62,;-4.55,5.16,;-3.22,2.85,;-1.89,3.62,)|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)c3nccn23)[C@@H]1N |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(N)c1Cl |r,wD:11.12,(-1.22,2.85,;-1.22,1.31,;.11,.54,;.11,-1,;1.45,-1.77,;1.45,-3.31,;2.78,-4.08,;4.12,-3.31,;4.28,-4.84,;5.78,-5.16,;6.55,-3.83,;5.52,-2.68,;5.84,-1.18,;4.12,-1.77,;2.78,-1,;-1.22,-1.77,;-1.54,-3.28,;-3.07,-3.44,;-3.7,-2.03,;-2.55,-1,;-2.55,.54,;-3.89,1.31,;-5.22,.54,;-6.55,1.31,;-6.55,2.85,;-5.22,3.62,;-5.22,5.16,;-3.89,2.85,;-2.55,3.62,)|
Cc1nc(N2CCC3(C[C@@H](O)C[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl |r,wD:12.13,9.9,(-1.22,3.55,;-1.22,2.01,;.11,1.24,;.11,-.3,;1.45,-1.07,;1.45,-2.61,;2.78,-3.38,;4.12,-2.61,;4.28,-4.14,;5.78,-4.46,;6.41,-5.86,;6.55,-3.12,;5.52,-1.98,;5.84,-.47,;4.12,-1.07,;2.78,-.3,;-1.22,-1.07,;-1.54,-2.57,;-3.07,-2.73,;-3.7,-1.33,;-2.55,-.3,;-2.55,1.24,;-3.89,2.01,;-5.22,1.24,;-6.55,2.01,;-6.55,3.55,;-5.22,4.32,;-5.22,5.86,;-3.89,3.55,;-2.55,4.32,)|
Cc1nc(N2CCC3(C[C@H](O)C[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl |r,wU:9.9,wD:12.13,(-1.22,3.55,;-1.22,2.01,;.11,1.24,;.11,-.3,;1.45,-1.07,;1.45,-2.61,;2.78,-3.38,;4.12,-2.61,;4.28,-4.14,;5.78,-4.46,;6.41,-5.86,;6.55,-3.12,;5.52,-1.98,;5.84,-.47,;4.12,-1.07,;2.78,-.3,;-1.22,-1.07,;-1.54,-2.57,;-3.07,-2.73,;-3.7,-1.33,;-2.55,-.3,;-2.55,1.24,;-3.89,2.01,;-5.22,1.24,;-6.55,2.01,;-6.55,3.55,;-5.22,4.32,;-5.22,5.86,;-3.89,3.55,;-2.55,4.32,)|
N[C@@H]1C[C@H](O)CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |r|
CC1(N)CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccc(N)nc3C(F)(F)F)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)ncc3C(F)(F)F)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)ncc3C(F)(F)F)c3ncc(Cl)n23)[C@@H]1N |r|
NC1CC2CN(CC2C1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
NCC1CC2CN(CC2C1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
NC[C@@H]1[C@@H]2CN(C[C@H]12)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |r|
CC1(CN)CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnc(Cl)c2Cl)c2nccn12 |r|
Cc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl |r|
CC1(N)CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
CC1(N)CCN(CC1)c1ncc(Sc2ccccc2)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cnc(N)cc2C(F)(F)F)c2nccn12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccc(N)nc2C(F)(F)F)c2nccn12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(-c2cccc(Cl)c2Cl)c2nccn12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cc(N)ncc2C(F)(F)F)c2nccn12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cncnc2C(F)(F)F)c2nccn12 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)[C@@H]1N |r|
NC1CCCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
Clc1cccc(Sc2cnc(N3CCC4(CCCCN4)CC3)n3ccnc23)c1Cl
NC1CC2(C1)CCN(C2)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
NC1CCCCN(C1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ncnc2c1-c1cccc(Cl)c1Cl |r,wD:11.12,(-1.22,2.85,;-1.22,1.31,;.11,.54,;.11,-1,;1.45,-1.77,;2.78,-1,;4.12,-1.77,;4.12,-3.31,;4.28,-4.84,;5.78,-5.16,;6.55,-3.83,;5.52,-2.68,;5.84,-1.18,;2.78,-4.08,;1.45,-3.31,;-1.22,-1.77,;-1.54,-3.28,;-3.07,-3.44,;-3.7,-2.03,;-2.55,-1,;-2.55,.54,;-3.89,1.31,;-5.22,.54,;-6.55,1.31,;-6.55,2.85,;-5.22,3.62,;-5.22,5.16,;-3.89,2.85,;-2.55,3.62,)|
CC1(N)CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
CC1(N)CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2ncnn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nncn12 |r|
Cc1nnc2c(Sc3cccc(Cl)c3Cl)cnc(N3CCC(C)(CN)CC3)n12
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2cnnc2c1-c1cccc(Cl)c1Cl |r,wD:11.12,(-1.22,2.85,;-1.22,1.31,;.11,.54,;.11,-1,;1.45,-1.77,;2.78,-1,;4.12,-1.77,;4.12,-3.31,;4.28,-4.84,;5.78,-5.16,;6.55,-3.83,;5.52,-2.68,;5.84,-1.18,;2.78,-4.08,;1.45,-3.31,;-1.22,-1.77,;-1.54,-3.28,;-3.07,-3.44,;-3.7,-2.03,;-2.55,-1,;-2.55,.54,;-3.89,1.31,;-5.22,.54,;-6.55,1.31,;-6.55,2.85,;-5.22,3.62,;-5.22,5.16,;-3.89,2.85,;-2.55,3.62,)|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2cnnc2c1-c1cnc(N)c(Cl)c1Cl |r,wD:11.12,(-.55,2.85,;-.55,1.31,;.78,.54,;.78,-1,;2.12,-1.77,;3.45,-1,;4.78,-1.77,;4.78,-3.31,;4.94,-4.84,;6.45,-5.16,;7.22,-3.83,;6.19,-2.68,;6.51,-1.18,;3.45,-4.08,;2.12,-3.31,;-.55,-1.77,;-.87,-3.28,;-2.4,-3.44,;-3.03,-2.03,;-1.89,-1,;-1.89,.54,;-3.22,1.31,;-4.55,.54,;-5.89,1.31,;-5.89,2.85,;-7.22,3.62,;-4.55,3.62,;-4.55,5.16,;-3.22,2.85,;-1.89,3.62,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(Cl)c3Cl)c3nncn23)[C@@H]1N |r,wD:28.33,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;3.35,-1.77,;2.02,-1,;.68,-1.77,;.68,-3.31,;2.02,-4.08,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-3.32,-1,;-4.46,-2.03,;-3.84,-3.44,;-2.3,-3.28,;-1.98,-1.77,;4.76,-2.68,;5.08,-1.18,)|
Cc1nc(N2CCC3(C[C@@H](O)C[C@H]3N)CC2)n2cnnc2c1-c1cccc(Cl)c1Cl |r,wD:12.13,9.9,(-1.22,3.55,;-1.22,2.01,;.11,1.24,;.11,-.3,;1.45,-1.07,;2.78,-.3,;4.12,-1.07,;4.12,-2.61,;4.28,-4.14,;5.78,-4.46,;6.41,-5.86,;6.55,-3.12,;5.52,-1.98,;5.84,-.47,;2.78,-3.38,;1.45,-2.61,;-1.22,-1.07,;-1.54,-2.57,;-3.07,-2.73,;-3.7,-1.33,;-2.55,-.3,;-2.55,1.24,;-3.89,2.01,;-5.22,1.24,;-6.55,2.01,;-6.55,3.55,;-5.22,4.32,;-5.22,5.86,;-3.89,3.55,;-2.55,4.32,)|
N[C@@H]1CCCC11CCN(CC1)c1nc(Cl)c(-c2cccc(Cl)c2Cl)c2nccn12 |r,wD:1.0,(5.84,-1.18,;5.52,-2.68,;6.55,-3.83,;5.78,-5.16,;4.28,-4.84,;4.12,-3.31,;4.12,-1.77,;2.78,-1,;1.45,-1.77,;1.45,-3.31,;2.78,-4.08,;.11,-1,;.11,.54,;-1.22,1.31,;-1.22,2.85,;-2.55,.54,;-3.89,1.31,;-5.22,.54,;-6.55,1.31,;-6.55,2.85,;-5.22,3.62,;-5.22,5.16,;-3.89,2.85,;-2.55,3.62,;-2.55,-1,;-3.7,-2.03,;-3.07,-3.44,;-1.54,-3.28,;-1.22,-1.77,)|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cncc3ccccc23)c2nccn12 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Oc3cccc(Cl)c3Cl)c3nccn23)[C@@H]1N |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Nc2cccc(Cl)c2Cl)c2nccn12 |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccc2cn[nH]c2c1 |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccc2OC(F)(F)Oc2c1 |r|
Cc1nc(N2CCC3(C[C@@H](O)C[C@H]3N)CC2)n2ccnc2c1Sc1cccc(Cl)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(Sc3cccc(Cl)c3Cl)c3nccn23)[C@@H]1N |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccc3cn[nH]c3c2)c2nccn12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnc3ccccc23)c2nccn12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(SC2CCCCC2)c2nccn12 |r|
Cc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1C |r|
Cc1c(Cl)nccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnc3CCCCc23)c2nccn12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccn3cnnc23)c2nccn12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc3ncccc23)c2nccn12 |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |r|
N[C@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnc3c(cccc23)C#N)c2nccn12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cc(=O)[nH]c3ccccc23)c2nccn12 |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnc3ncccc23)c2nccn12 |r|
C[C@H](N)C1CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(=O)n(C)c4ccccc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cncc4ccccc34)c3nccn23)[C@@H]1N |r|
C[C@@H](N)C1CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc4ncsc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc4c(C=O)csc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4CCCc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccn4nccc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc4ccsc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc4nc(N)sc34)c3nccn23)[C@@H]1N |r|
CSc1ccccc1Sc1cnc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4sccc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4c(Br)cccc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4c(N)cccc34)c3nccn23)[C@@H]1N |r|
COC(=O)c1cccc2c(Sc3cnc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n4ccnc34)ccnc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4ccsc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc4cnsc34)c3nccn23)[C@@H]1N |r|
CSc1c(Cl)cccc1Sc1cnc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4c(cccc34)-n3cncn3)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4c(cccc34)C(O)=O)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)nc4ccccc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4c(NC(C)=O)cccc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4c(cccc34)C(N)=O)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4ccccc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4ccc(F)cc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4cc(F)ccc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ncnc4ccccc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3nccc4ccccc34)c3nccn23)[C@@H]1N |r|
NCC1CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccc(C(N)=O)c4ccccc34)c3nccn23)[C@@H]1N |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4c(F)cccc34)c3nccn23)[C@@H]1N |r|
COc1ccc2c(Sc3cnc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n4ccnc34)ccnc2c1 |r|
NC1Cc2ccccc2C11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4cc(ccc34)C#N)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4cnccc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4ccc(cc34)C#N)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4cccnc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc4ncccc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4[nH]ccc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4[nH]cnc34)c3nccn23)[C@@H]1N |r|
COc1ccc2nccc(Sc3cnc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n4ccnc34)c2c1 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4cc(Cl)ccc34)c3nccn23)[C@@H]1N |r|
Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl |r,wD:15.17,(-1.71,4.29,;-1.71,2.75,;-.37,1.98,;-.37,.44,;.96,-.33,;2.29,.44,;3.63,-.33,;3.63,-1.87,;3.79,-3.4,;5.3,-3.72,;6.07,-5.06,;7.61,-5.06,;8.38,-3.72,;7.61,-2.39,;6.07,-2.39,;5.03,-1.25,;5.35,.26,;2.29,-2.64,;.96,-1.87,;-1.71,-.33,;-2.03,-1.84,;-3.56,-2,;-4.18,-.59,;-3.04,.44,;-3.04,1.98,;-4.37,2.75,;-4.37,4.29,;-5.71,5.06,;-7.04,4.29,;-7.04,2.75,;-8.38,1.98,;-5.71,1.98,;-5.71,.44,)|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc4ccccc34)c3nccn23)[C@@H]1N |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2ccnc3sccc23)c2nccn12 |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2ccnc3ccsc23)c2nccn12 |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2cccc3cnsc23)c2nccn12 |r|
CSc1ccccc1Sc1cnc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)n2ccnc12 |r|
CCSc1ccccc1Sc1cnc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)n2ccnc12 |r|
CC(C)Sc1ccccc1Sc1cnc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)n2ccnc12 |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2ccnc3cccnc23)c2nccn12 |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2ccnc3ccccc23)c2nccn12 |r|
N[C@@H]1c2cccnc2CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |r|
N[C@@H]1c2cccnc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12 |r|
N[C@H]1c2cccnc2CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |r|
N[C@H]1c2cccnc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12 |r|
c1ccc(cc1)NC(=O)C(=O)O
OC(=O)C(=O)Nc1ccc(cc1)C#C
CC(C)(C)OC(=O)NCC#Cc1ccc(NC(=O)C(O)=O)cc1
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccccc1
OC(=O)C(=O)Nc1cccc(c1)C#Cc1ccccc1
OC(=O)C(=O)Nc1ccc(cc1)-c1ccccc1
OC(=O)C(=O)Nc1cccc(c1)-c1ccccc1
OC(=O)C(=O)Nc1cnc2ccccc2c1
COC(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1
COC(=O)c1cc(ccc1O)C#Cc1ccc(NC(=O)C(O)=O)cc1
COC(=O)c1ccc(cc1O)C#Cc1ccc(NC(=O)C(O)=O)cc1
COC(=O)c1cc(C#Cc2ccc(NC(=O)C(O)=O)cc2)c(cc1O)N(C)C
COC(=O)c1cc(C#Cc2cccc(NC(=O)C(O)=O)c2)c(cc1O)N(C)C
CN(C)c1cc(O)c(cc1C#Cc1ccc(NC(=O)C(O)=O)cc1)C(O)=O
CN(C)c1cc(O)c(cc1C#Cc1cccc(NC(=O)C(O)=O)c1)C(O)=O
CC(C)(C)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(OC(F)(F)F)cc1
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cccc(c1)C(F)(F)F
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(O)cc1
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(O)c(Br)c1
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C#N
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc2ccccc2c1
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(OCc2ccccc2)cc1
CC(C)(C)OC(=O)Nc1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1Cl)C(F)(F)F
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1Br)C(F)(F)F
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1F)C(F)(F)F
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1C#N)C(F)(F)F
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1C(F)(F)F)C(F)(F)F
OC(=O)C(=O)Nc1ccc(\C=C/c2ccccc2)cc1
OC(=O)C(=O)Nc1ccc(\C=C/c2ccc(cc2)C(F)(F)F)cc1
OC(=O)C(=O)Nc1ccc(CCc2ccccc2)cc1
OC(=O)C(=O)Nc1ccc(CCc2ccc(cc2)C(F)(F)F)cc1
C[C@@]1(N)CCN(C[C@H]1O)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)nc2Cl)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)nc2O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)nc2S(C)=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(Cl)c3Cl)nc2S(C)=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccnc3C(F)(F)F)nc2S(C)=O)[C@@H]1N |r|
COc1nccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c(n2)S(C)=O)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N4CCCC4)c3Cl)nc2S(C)=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)nc(Cl)c3Cl)nc2S(C)=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(F)c3Cl)nc2S(C)=O)[C@@H]1N |r|
NC1C2(CC2)CCC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)nc1CO
CN1C(=O)CCC11CC(N)C2(C1)CCN(CC2)c1ncc(Sc2ccnc(N)c2Cl)nc1CO
N[C@@H]1c2cccnc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)nc1CO |r|
COC1CCc2[nH]c3cc(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)c(Cl)nc3c2C1 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc4[nH]c5CCC(O)Cc5c4nc3Cl)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc4[nH]c5C(O)CCCc5c4nc3Cl)nc2CO)[C@@H]1N |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@@H](CN)C2 |r,TLB:16:20:26.29.25:23.22|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@@H](N)C2 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1CCC(N)CC1
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1CCC(C)(N)CC1
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CCC[C@@H]1C[C@H](N)C2 |r,THB:16:20:27.29.26:24.22.23|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1CCC(N)(CO)CC1
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@](C)(N)C2 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1C2CCC1CNC2
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1CCC2(CNC2)CC1
Cc1nc2c(c[nH]c2nc1N1CCC(C)(CN)CC1)-c1ccc2nn(C)cc2c1Cl
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@@H]2CC[C@H]1[C@H](F)[C@H](N)C2 |r|
N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2ncsc2c1Cl |r,TLB:9:8:1.2.7:5.4|
Cc1nc2c(c[nH]c2nc1N1CCC(C)(N)CC1)-c1ccc2nn(C)cc2c1Cl
Cc1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2s1 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1CCC2(CCN2)CC1
Cc1nc2c(c[nH]c2nc1N1[C@H]2CC[C@@H]1C[C@H](N)C2)-c1ccc2nn(C)cc2c1Cl |r|
CN(C)c1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2s1 |r|
N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2oc(=O)[nH]c2c1Cl |r|
Cc1nc2c(c[nH]c2nc1N1[C@H]2CC[C@@H]1C[C@@H](N)C2)-c1ccc2nn(C)cc2c1Cl |r|
Cc1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2c(=O)[nH]1 |r|
CN(C)c1ccc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2n1 |r|
N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2[nH]c(=O)sc2c1Cl |r|
Cn1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2c1Cl |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1CCC2(CNC2)C(F)(F)C1
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r|
COc1ccc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2n1 |r,TLB:14:18:24.26.23:21.20|
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@@H](N)C2 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1CC[C@@H](N)[C@H](F)C1 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1CC[C@H](N)[C@@H](F)C1 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1CC[C@H](N)[C@@H](O)C1 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1CC[C@@H](N)[C@@H](F)C1 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1CC[C@H](N)[C@H](F)C1 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(CO)nc12 |r|
N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2ccc(=O)[nH]c2c1Cl |r,TLB:9:8:1.2.7:5.4|
N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2nn(CCO)cc2c1Cl |r,TLB:9:8:1.2.7:5.4|
Cn1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2c1CO |r|
Cn1cc2c(F)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r|
N[C@H]1CC2CC[C@@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2nc(sc2c1Cl)C1CCOC1 |r,TLB:9:8:1.7.2:4.5|
Cc1nc2c(n[nH]c2nc1N1[C@H]2CC[C@@H]1C[C@@H](N)C2)-c1ccc2nn(C)cc2c1Cl |r|
Cn1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@@H](N)C4)c(Cl)c2c1Cl |r|
COc1cc2c(Cl)c(ccc2nc1C)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r|
COCc1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2s1 |r,TLB:14:18:24.26.23:21.20|
N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2nc(CO)sc2c1Cl |r|
COCCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r,THB:19:23:28.29.31:25.26|
N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2nn(cc2c1Cl)C1COC1 |r,THB:9:8:7.1.2:4.5|
Cn1ccc2c(Cl)c(ccc2c1=O)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r,THB:18:22:27.28.30:25.24|
Cc1nc2c(n[nH]c2nc1N1[C@H]2CC[C@@H]1C[C@H](N)C2)-c1ccc2nn(C)cc2c1Cl |r|
CN(C)C(=O)Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r|
Cn1cc2c(Cl)c(cc(F)c2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r|
Cn1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2n1 |r|
Cc1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@H]3CC(N)C4)c(Cl)c2c(=O)n1C |r,TLB:12:16:24.22.21:18.19|
CC(C)(O)Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r,TLB:20:24:29.30.32:27.26|
N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2[nH]nc(Cl)c2c1Cl |r,THB:9:8:7.1.2:5.4|
Cc1cc(-c2c[nH]c3nc(cnc23)N2[C@H]3CC[C@@H]2C[C@H](N)C3)c(Cl)c2cn(C)nc12 |r|
Cn1cnc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2c1=O |r|
CNC(=O)Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r,TLB:20:24:29.30.32:27.26|
CN(C)C(=O)CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r,THB:22:26:31.32.34:29.28|
CN(C)C(=O)c1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2s1 |r|
CC(C)(C)NC(=O)Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r|
Cn1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2c1CC#N |r|
Cn1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2c1C#N |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1[C@@H](F)[C@@H](N)C2 |r,TLB:16:20:25.27.29:22.23|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@@H]2CC[C@H]1[C@H](F)[C@@H](N)C2 |r,TLB:16:20:29.27.25:23.22|
N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2NC(=O)C(F)(F)c2c1Cl |r,TLB:9:8:7.1.2:4.5|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1[C@@H](F)[C@H](N)C2 |r,TLB:16:20:25.27.29:22.23|
Cn1ccnc1Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1C2CC[C@@H]1C[C@H](N)C2 |r,TLB:22:26:31.32.34:28.29|
Cc1noc(Cn2cc3c(Cl)c(ccc3n2)-c2c[nH]c3nc(cnc23)N2C3CC[C@H]2C[C@@H](N)C3)n1 |r,TLB:21:25:33.31.30:28.27|
Cn1ccc(Cn2cc3c(Cl)c(ccc3n2)-c2c[nH]c3nc(cnc23)N2[C@H]3CC[C@@H]2C[C@H](N)C3)n1 |r|
Cn1ccc2c(Cl)c(ccc2c1=O)-c1c[nH]c2nc(cnc12)N1CC[C@H](N)[C@H](F)C1 |r|
Cc1nc2c(n[nH]c2nc1N1[C@H]2CC[C@@H]1[C@@H](F)[C@@H](N)C2)-c1ccc2nn(C)cc2c1Cl |r,TLB:9:10:15.17.19:13.12|
Cn1cnc2ccc(-c3c[nH]c4nc(cnc34)N3CC[C@H](N)[C@H](F)C3)c(Cl)c12 |r|
Cc1nc2c(n[nH]c2nc1N1CC[C@H](N)[C@H](F)C1)-c1ccc2nn(C)cc2c1Cl |r|
Cn1c2c(Cl)c(ccc2sc1=O)-c1c[nH]c2nc(cnc12)N1CC[C@H](N)[C@H](F)C1 |r|
Cn1cnc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@H]3[C@@H](F)[C@@H](N)C4)c(Cl)c2c1=O |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](F)[C@@H](N)C4)c(CO)nc12 |r,TLB:16:17:22.24.26:20.19|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](F)[C@@H](N)C4)c(CO)nc12 |r|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2c1Cl |r,TLB:12:13:18.20.22:16.15|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3[C@@H]4CC[C@H]3[C@@H](F)[C@@H](N)C4)c(CO)nc12 |r|
CCn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](F)[C@@H](N)C4)c(CO)nc12 |r,TLB:17:18:23.25.27:21.20|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(F)c2c1Cl |r|
COc1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2n1 |r,TLB:14:15:20.22.24:18.17|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@@H]6CC[C@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2c1Cl |r,TLB:12:13:22.20.18:15.16|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5CNC6)c(CO)nc34)c(Cl)c2c1Cl |r,TLB:12:13:18.19.20:16.15|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@@H]6CC[C@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(F)c2c1Cl |r,TLB:12:13:22.20.18:15.16|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)c(CO)nc34)c(Cl)c2c1Cl |r,TLB:12:13:18.19.21:16.15|
Cc1nc2c(n[nH]c2nc1N1C2CCCC1CNC2)-c1ccc2nn(C)cc2c1Cl
CCn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](F)[C@@H](N)C4)c(C)nc12 |r,TLB:17:18:23.25.27:21.20|
Cc1nc2c(n[nH]c2nc1N1[C@H]2CC[C@@H]1[C@@H](F)[C@@H](N)C2)-c1ccc2nn(C)c(Cl)c2c1Cl |r,TLB:9:10:15.17.19:13.12|
Cc1nc2c(n[nH]c2nc1N1CCC2(CNC2)CC1)-c1ccc2nn(C)cc2c1Cl
COc1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(C)nc34)c(Cl)c2n1 |r,TLB:14:15:20.22.24:18.17|
CN(C)c1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(C)nc34)c(Cl)c2n1 |r,TLB:15:16:21.23.25:19.18|
Cc1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(F)c2s1 |r,TLB:12:13:18.20.22:16.15|
COc1cc2c(Cl)c(ccc2nc1C)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](F)[C@@H](N)C4)c(CO)nc12 |r,TLB:19:20:25.27.29:23.22|
CC(C)n1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](F)[C@@H](N)C4)c(CO)nc12 |r|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@@H]6CC[C@H]5[C@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2c1Cl |r,TLB:12:13:22.20.18:15.16|
CCn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2c1Cl |r|
Cn1nc2ccc(-c3n[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3[C@@H](F)[C@@H](N)C4)c(Cl)c2c1Cl |r,TLB:12:16:21.23.25:19.18|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(F)c2c1Br |r,TLB:12:13:18.20.22:16.15|
COc1cnc2ccc(-c3n[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3[C@@H](F)[C@@H](N)C4)c(Cl)c2n1 |r|
COc1cnc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2n1 |r|
Cc1c(ccc2nn(C)c(Cl)c12)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](F)[C@@H](N)C4)c(CO)nc12 |r,TLB:17:18:23.25.27:21.20|
COc1cnc2ccc(-c3n[nH]c4nc(N5[C@@H]6CC[C@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2n1 |r,TLB:14:15:24.22.20:17.18|
Cn1nc2ccc(-c3n[nH]c4nc(N5CCC(C)(N)CC5)c(CO)nc34)c(Cl)c2c1Cl
COc1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5CNC6)c(CO)nc34)c(Cl)c2n1 |r|
COc1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)c(CO)nc34)c(Cl)c2n1 |r,TLB:14:15:20.21.23:18.17|
[H][C@]12CC[C@]([H])([C@@H](F)[C@@H](N)C1)N2c1nc2[nH]nc(-c3ccc4ncsc4c3Cl)c2nc1CO |r|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@](C)(N)C6)c(CO)nc34)c(Cl)c2c1Cl |r|
CN(C)c1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5CNC6)c(CO)nc34)c(Cl)c2n1 |r,TLB:15:16:21.22.23:19.18|
CN(C)c1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2n1 |r,TLB:15:16:21.23.25:19.18|
COc1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5CNC6)c(C)nc34)c(Cl)c2n1 |r,TLB:14:15:20.21.22:18.17|
COc1cnc2ccc(-c3n[nH]c4nc(N5CCC(C)(N)CC5)c(C)nc34)c(Cl)c2n1
COc1cnc2ccc(-c3n[nH]c4nc(N5C6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(C)nc34)c(Cl)c2n1 |r,TLB:14:15:24.22.20:18.17|
Cn1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2c1Cl |r,TLB:12:13:18.20.22:15.16|
CN(C)c1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2s1 |r,THB:14:15:20.22.24:17.18|
Cc1nc2c(n[nH]c2nc1N1[C@H]2CC[C@@H]1[C@@H](F)[C@@H](N)C2)-c1ccc2nn(C)c(C#N)c2c1Cl |r|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CCC[C@@H]5CNC6)c(CO)nc34)c(Cl)c2c1Cl |r,THB:12:13:19.20.21:17.15.16|
CCn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2c1C#N |r,TLB:22:21:14:17.16,20:19:14:17.16|
CCn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(C)nc34)c(Cl)c2c1C#N |r,TLB:13:14:19.21.23:17.16|
Cc1nc2ccc(-c3n[nH]c4nc(N5[C@@H]6CC[C@@H]5CC(N)C6)c(CO)nc34)c(Cl)c2s1 |r|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2c1C#N |r|
CN(C)c1cnc2ccc(-c3n[nH]c4nc(N5[C@@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2n1 |r|
CN(C)c1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@@](C)(N)C6)c(CO)nc34)c(Cl)c2n1 |r,TLB:15:16:25.22.21:18.19|
Cc1nc2c(n[nH]c2nc1N1[C@H]2CC[C@@H]1[C@@H](F)[C@@H](N)C2)-c1ccc2nc(CO)sc2c1Cl |r,TLB:9:10:15.17.19:13.12|
CN(C)c1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)c(CO)nc34)c(Cl)c2n1 |r,TLB:15:16:21.22.24:19.18|
COc1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@](C)(N)C6)c(CO)nc34)c(Cl)c2n1 |r|
COc1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)c(C)nc34)c(Cl)c2n1 |r|
CN(C)c1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)c(C)nc34)c(Cl)c2n1 |r|
CN(C)c1cnc2ccc(-c3n[nH]c4nc(N5C6CCC5CNC6)c(C)nc34)c(Cl)c2n1
CCOc1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2n1 |r,TLB:15:16:21.23.25:19.18|
CCOc1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(C)nc34)c(Cl)c2n1 |r,TLB:15:16:21.23.25:19.18|
N[C@H]1C[C@@H]2CC[C@H]([C@H]1F)N2c1nc2[nH]nc(-c3ccc4ncc(nc4c3Cl)N3CCC3)c2nc1CO |r,TLB:10:9:7.1.2:5.4|
Cc1c(ccc2nn(C)c(Cl)c12)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(CO)nc12 |r,TLB:17:18:23.24.26:21.20|
Cc1c(ccc2nn(C)c(Cl)c12)-c1n[nH]c2nc(N3[C@@H]4CC[C@H]3[C@@H](F)[C@@H](N)C4)c(CO)nc12 |r|
Cc1nc2ccc(-c3n[nH]c4nc(N5[C@@H]6CC[C@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2s1 |r,TLB:12:13:22.20.18:15.16|
COCc1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2s1 |r,TLB:14:15:20.22.24:18.17|
CC(C)Oc1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2n1 |r,TLB:16:17:22.24.26:20.19|
N[C@H]1C[C@@H]2CC[C@H]([C@H]1F)N2c1nc2[nH]nc(-c3ccc4ncc(nc4c3Cl)N3CCOCC3)c2nc1CO |r,TLB:10:9:7.1.2:5.4|
CC(C)n1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(C)nc34)c(Cl)c2c1C#N |r|
Cc1nc2c(n[nH]c2nc1N1[C@H]2CC[C@@H]1[C@@H](F)[C@@H](N)C2)-c1ccc2ncc(nc2c1Cl)N1CCOCC1 |r,TLB:9:10:15.17.19:13.12|
Cc1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(C)nc34)c(Cl)c2s1 |r,THB:12:13:18.20.22:16.15|
CC(C)n1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2c1C#N |r|
NC1CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
N[C@@H]1CCCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
NCC1CCN(C1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
N[C@@H]1CCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
NC1CC2(C1)CCN(CC2)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
N[C@@H]1COCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
N[C@@H]1CCOC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
CC1CCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)[C@@H]1N
CC1C[C@@H](N)C2(C1)CCN(CC2)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
N[C@@H]1CC(O)CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)nc(Cl)c3Cl)c3nccn23)[C@@H]1N
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccccc2)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccccc2Cl)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccc(Cl)cc2Cl)c2nccn12
CC(C)c1ccccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc12
COc1ccccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc(N)c2Cl)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc(NC(=O)C=C)c2Cl)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccncc2Cl)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccncc2C(F)(F)F)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnc(F)c2Cl)c2nccn12
COc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl
N[C@@H]1CCCC11CCN(CC1)c1ncc(SC2C=CN=C(C3CC3)N2Cl)c2nccn12 |c:19,t:21|
CN(C)c1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cc(N)ncc2Cl)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cc(N)nc(Cl)c2Cl)c2nccn12
Cc1ncccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccnc2C(F)(F)F)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccnc2Cl)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccc(N)nc2Cl)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnc(Cl)n2)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnnc2Cl)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc3ncsc23)c2nccn12
Cn1ccc2c(Sc3cnc(N4CCC5(CCC[C@H]5N)CC4)n4ccnc34)ccnc12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccc3OCCc3c2)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc3ccccc23)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc3NC(=O)C(=O)c23)c2nccn12
CC1C[C@@H](N)C2(C1)CCN(CC2)c1ncc(Sc2ccnc(Cl)c2Cl)c2nccn12
CC1C[C@@H](N)C2(C1)CCN(CC2)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12
N[C@@H]1COCC11CCN(CC1)c1ncc(Sc2ccnc(Cl)c2Cl)c2nccn12
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(C)c3Cl)c3nccn23)[C@@H]1N
N[C@@H]1COCC11CCN(CC1)c1ncc(Sc2cc(N)nc(Cl)c2Cl)c2nccn12
N[C@@H]1COCC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(Cl)c3Cl)c3nccn23)[C@@H]1N
NCC1(CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12)c1ccccc1
COC(=O)c1ccccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc12
CN(C)C(=O)C(=O)Nc1cccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)c2nccn12
Cc1nc(N)cc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl
CC1C[C@@H](N)C2(C1)CCN(CC2)c1ncc(Sc2cc(N)nc(Cl)c2Cl)c2nccn12
Cc1nc(N)cc(Sc2cnc(N3CCC4(COC[C@H]4N)CC3)n3ccnc23)c1Cl
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)ncc3Cl)c3nccn23)[C@@H]1N
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)nc(C)c3Cl)c3nccn23)[C@@H]1N
N[C@@H]1CC(F)(F)CC11CCN(CC1)c1ncc(Sc2cc(N)nc(Cl)c2Cl)c2nccn12
Cc1nc(N)cc(Sc2cnc(N3CCC4(CC(F)(F)C[C@H]4N)CC3)n3ccnc23)c1Cl
N[C@@H]1CCCCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
CC1(C)COC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)[C@@H]1N
N[C@@H]1CC(F)(F)CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12
NC1CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
NCC1(CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12)c1ccccc1
CC1CN(CC(C)N1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
N[C@@H]1CCCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
NCC1CCN(C1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
CC1(CN)CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
NCCC1CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
N[C@H]1CCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
NC1CC2(C1)CCN(CC2)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
Clc1cccc(Sc2cnc(N3CCC4(CCCN4)CC3)n3cnnc23)c1Cl
N[C@@H]1CCC2CN(CC12)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
N[C@@H]1CCCCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
N[C@@H]1COCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
N[C@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
CN[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
CC1C[C@@H](N)C2(C1)CCN(CC2)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)[C@@H]1N
C[C@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)[C@H]1N
CC1(N)COCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nncn12
CC1(N)CCN(CC1)c1ncc(-c2cccc(Cl)c2Cl)c2nncn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(-c2cccc(Cl)c2Cl)c2nncn12
COC(=O)CCSc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2cnnc12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccccc2)c2nncn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccccc2Cl)c2nncn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccc(Cl)cc2)c2nncn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccc(Cl)cc2Cl)c2nncn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2c(Cl)cccc2Cl)c2nncn12
CC(C)c1ccccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2cnnc12
COc1ccccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2cnnc12
COC(=O)c1ccccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2cnnc12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccc(N)cc2)c2nncn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc(N)c2Cl)c2nncn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc(NC(=O)C=C)c2Cl)c2nncn12
CC(=O)Nc1ccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3cnnc23)cc1
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccccn2)c2nncn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccncc2Cl)c2nncn12
Cc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3cnnc23)c1Cl
CN(C)c1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3cnnc23)c1Cl
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cc(N)ncc2Cl)c2nncn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cc(N)nc(Cl)c2Cl)c2nncn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnc(Cl)c2Cl)c2nncn12
Cc1ncccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2cnnc12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccnc2C(F)(F)F)c2nncn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc3ccccc23)c2nncn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnc3ccccc23)c2nncn12
Cn1ccnc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2cnnc12
CC1(N)CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nncn12
CC1C[C@@H](N)C2(C1)CCN(CC2)c1ncc(Sc2ccnc(Cl)c2Cl)c2nncn12
CC1C[C@@H](N)C2(C1)CCN(CC2)c1ncc(Sc2ccnc(N)c2Cl)c2nncn12
CC1C[C@@H](N)C2(C1)CCN(CC2)c1ncc(Sc2cc(N)nc(Cl)c2Cl)c2nncn12
N[C@@H]1COCC11CCN(CC1)c1ncc(Sc2ccnc(Cl)c2Cl)c2nncn12
Cc1nccc(Sc2cnc(N3CCC4(COC[C@H]4N)CC3)n3cnnc23)c1Cl
N[C@@H]1COCC11CCN(CC1)c1ncc(Sc2cc(N)nc(Cl)c2Cl)c2nncn12
N[C@@H]1COCC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nncn12
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(Cl)c3Cl)c3nncn23)[C@@H]1N
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(C)c3Cl)c3nncn23)[C@@H]1N
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)ncc3Cl)c3nncn23)[C@@H]1N
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)c3nncn23)[C@@H]1N
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)nc(Cl)c3Cl)c3nncn23)[C@@H]1N
C[C@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(C)c3Cl)c3nncn23)[C@@H]1N
C[C@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)c3nncn23)[C@H]1N
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccc(N)nc2Cl)c2ncnn12
C[C@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c3ncnn23)[C@@H]1N
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccncc2Cl)c2ncnn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cc(N)nc(Cl)c2Cl)c2ncnn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccnc2Cl)c2ncnn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccnc2)c2ncnn12
COc1ccccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2ncnc12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccc(N)cc2)c2ncnn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccncc2C(F)(F)F)c2ncnn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2ncnn12
Cc1ncccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2ncnc12
N[C@@H]1COCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2ncnn12
NC1CCCCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2ncnn12
NC1CCCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2ncnn12
N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccccc2)c2ncnn12
C[C@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c3ncnn23)[C@H]1N
Cc1nccc(Sc2cnc(N3CCC4(COC[C@H]4N)CC3)n3ncnc23)c1Cl
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(C)c3Cl)c3ncnn23)[C@@H]1N
COCCOC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F
Clc1ccccc1-c1n[nH]c2nc(cnc12)N1C2CCC1CCC2
N[C@H]1CC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
Clc1ccccc1-c1n[nH]c2nc(cnc12)N1CCC2(CNC(=O)N2)CC1
NC(=O)C1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1
CC1(CN)CCCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
CC(C)(N)C1CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccc(Cl)cc1
NC1CC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccncc1
NCC1(O)CCCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
N[C@H]1[C@@H]2CN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1 |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ncccc1Cl
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
NCC1(F)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
NCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1
N[C@H]1CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl |r|
NCC1CCN(C1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1
NC1CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccc(Cl)cc1
NC(CO)C1CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1
COC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
N[C@H]1CCN(C[C@@H]1O)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Br
N[C@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl |r|
CNCC1(C)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
N[C@@H]1CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl |r|
NC1CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
COc1cccc(-c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c1Cl
NCC1CCCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
Clc1ccccc1-c1n[nH]c2nc(cnc12)N1CCC2(CCCN2)CC1
COCC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
Clc1ccccc1-c1n[nH]c2nc(cnc12)N1CC2CNCC2C1
Clc1cccc(-c2n[nH]c3nc(cnc23)N2CCCCC2)c1Cl
NCC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
CC(N)C1CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F
N[C@@H]1CC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1
NCC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
NCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
Clc1ccccc1-c1n[nH]c2nc(cnc12)N1CCCC2(CNC(=O)O2)CC1
COc1ccccc1-c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
Clc1ccccc1-c1n[nH]c2nc(cnc12)N1CCC2(CCNC2)C1
NC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
CC1(CCN(CC1)c2cnc3c(n2)[nH]nc3Sc4ccccc4Cl)N
CN1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCNc3ncccc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3c2cccc3S(C)(=O)=O)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(Sc3ccccc3)n[nH]c2n1
CN1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2cccnc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)C#N)[C@@H]1N |r|
CCS(=O)(=O)c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CC1(N)CCN(CC1)c1cnc2c(Sc3cccnc3C(F)(F)F)n[nH]c2n1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC(=O)N(C)c3cnccc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3P(C)(C)=O)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(Sc3ccccc3Cl)n[nH]c2n1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c(Cl)cccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCC(C(F)F)c3ccccc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3nc(ccc23)-c2ncon2)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(Sc3ccccc3C#N)n[nH]c2n1
Cn1cc(cn1)-c1c2CCCN(c3n[nH]c4nc(cnc34)N3CCC(C)(CN)CC3)c2ccc1C#N
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(cccc23)C2CCOCC2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C)c3nc(ccc23)-c2ncon2)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(Nc3ccccc3Cl)n[nH]c2n1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c(Cl)nccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-n2cccn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2cnn(c2)C2COC2)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(Nc3cccnc3Cl)n[nH]c2n1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCc2cc(ccc12)C#N
COC(=O)n1nc(N2CCCc3ncccc23)c2ncc(nc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3[N+]([O-])=O)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(Sc3cccc(Cl)c3Cl)n[nH]c2n1
C[C@H]1Cc2ccccc2N1c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2cc[nH]n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(cccc23)N(C)S(C)(=O)=O)[C@@H]1N |r|
Cn1ccnc1Sc1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1
C[C@@H]1Cc2ccccc2N1c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2ccnn2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(N)cccc23)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(Cc3ccccc3)n[nH]c2n1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCc2c1cccc2C1CC1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)N2CCNCC2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(NC(C)=O)cccc23)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)C(=C)c1ccccc1
NS(=O)(=O)C1CCCN(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2Cc3ccccc3C2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3nc(Cl)ccc23)[C@@H]1N |r|
CC(c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1)c1ccccc1
OCC1CCCCN1c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C(N)=O)c3ncccc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(O)ccc23)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)C(=O)c1ccccc1
C(C1CCCN(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12)c1ccccc1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2cn[nH]c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C3CC3)c3c(C)cccc23)[C@@H]1N |r|
CC(O)(c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1)c1ccccc1
C(OC1CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12)c1cccnc1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)N2CC[C@@H](O)C2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2cnoc2)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-n1cnc2ccccc12
CC1(C)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)N2CC[C@H](O)C2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3cc(ccc23)-c2cnn(C)c2)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCc2ccccc12
C1CC(CN(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12)Oc1ccccc1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C)c3ncc(F)cc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2ncc(C)s2)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCn2nccc12
OC1CCCN(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3ncc(F)cc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3nc(ccc23)C#N)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ccccc12
C(C1CCCN1c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12)c1ccccc1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C)c3nc(ccc23)C(N)=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3c(C)cccc23)[C@@H]1N |r|
C[C@@H]1C[C@@H](N)CCN1c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3nc(ccc23)C(N)=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2C(C)Cc3ccccc3C2=O)[C@@H]1N |r|
C[C@H]1C[C@H](N)CCN1c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C(C1CCN(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12)c1ccccc1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C)c3nc(ccc23)-c2cnn(C)c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(cccc23)C#N)[C@@H]1N |r|
CC1(CN)CCN(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C1CC(N(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12)c1ccccc1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3ncccc3C2)[C@@H]1N |r|
CC(C)N1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c2cccnc12 |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ccncc12
CC1CCCCN1c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3ccccc3C2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccc(C#N)c3S(C)(=O)=O)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
NC(=O)C1CCCN(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCOc3ccccc3C2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3-c2nnc(C)o2)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCNc2ccccc12
NC[C@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r,TLB:10:9:6.5:3.2.8|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3ccccc3C2=O)[C@@H]1N |r|
COCc1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2cnccc12
C1CN(CC1c1ccccc1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3cccnc3C2)[C@@H]1N |r|
COC(=O)N1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c2ccccc12 |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCOc2ncccc12
C1CC(CN(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12)c1ccccc1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3ccncc3C2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(cccc23)N2CCCS2(=O)=O)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCC(=O)c2ccccc12
CCC1(C)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3cc(ccc3C2)C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCC(C3CCOCC3)c3ncccc23)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ccccc12
NC(=O)COC1CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3c(C2)cccc3C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3sccc23)[C@@H]1N |r|
CC1CCc2ccccc2N1c1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1
C1CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC(=O)N(C)c3cc(ccc23)C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3cc(ccc23)-c2ncco2)[C@@H]1N |r|
C[C@H]1CCc2ccccc2N1c1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1 |r|
C(OC1CCCN(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12)c1cccnc1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3cnccc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)C2=CCCCC2)[C@@H]1N |r,t:34|
C[C@@H]1CCc2ccccc2N1c1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1 |r|
NC(=O)C1CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C)c3c2cccc3-c2cnn(C)c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)C(\C)=N/O)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCCc2ccccc12
NC[C@H]1CCN([C@H](Cc2ccccc2)C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3c2cccc3-c2cnn(C)c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C3COC3)c3cc(ccc23)C#N)[C@@H]1N |r|
CC1CN(c2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c2ccccc2C1
NC[C@H]1CCN([C@@H](Cc2ccccc2)C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-n2cncn2)[C@@H]1N |r|
CNC(=O)CN1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c2ccc(cc12)C#N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1C(=O)CCc2ncccc12
NC(=O)NC1CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2ccn(C)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(cccc23)[C@H]2CCOC2)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2cccnc12
C(C1CCCCN1c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12)c1ccccc1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3S(C)(=O)=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(cccc23)[C@@H]2CCOC2)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C1CCN(C(C1)c1ccccc1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
CNC(=O)c1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN([C@H]3CCOC3)c3cc(ccc23)C#N)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c(N)nccc12
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCOc2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCC(C(F)F)c3cc(ccc23)C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN([C@@H]3CCOC3)c3cc(ccc23)C#N)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCn2c1cccc2=O
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCc2c1cccc2C#N
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3nc(ccc23)-c2cnn(C)c2)[C@@H]1N |r|
CNC(=O)c1nccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
Cc1ccc2CCCN(c3n[nH]c4nc(cnc34)N3CCC(C)(CN)CC3)c2c1
CC1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccc(cc12)-c1ncn[nH]1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCNc3cnccc23)[C@@H]1N |r|
CCN1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c2ccc(cc12)C#N |r|
Cc1ccc2N(CCCc2c1)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
CC1(CNC(=O)OCCSSCCOC(=O)NCC2(C)CCN(CC2)c2cnc3C(=NCc3n2)N2CCCc3ncccc23)CCN(CC1)c1cnc2C(=NCc2n1)N1CCCc2ncccc12 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;$,c:30,59|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3ccc(cc3C2)C#N)[C@@H]1N |r|
COCCN1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c2ccc(cc12)C#N |r|
Cc1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
NC[C@H]1CCN([C@@H](C1)c1ccccc1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)N2CCN(C)C(=O)C2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2nnc(C)s2)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCC(C1)c1ccccc1
NC[C@@H]1CCN([C@H](C1)c1ccccc1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CNC(=O)c1ccc2N(CC[C@H](C)c2c1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(CCS(C)(=O)=O)c3cc(ccc23)C#N)[C@@H]1N |r|
CC1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccccc12
CC1N(CCc2ccccc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccnc3-c2cn[nH]c2)[C@@H]1N |r|
CC(C)N1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c2ccc(cc12)C#N |r|
C[C@@H]1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccccc12 |r|
C[C@@H]1N(Cc2ccccc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1 |r|
Cn1cc(cn1)-c1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC2(COC[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)C#C)[C@@H]1N |r|
C[C@H]1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccccc12 |r|
CC1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2cccnc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3cnccc3C2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN([C@H]3C[C@H](O)C3)c3cc(ccc23)C#N)[C@@H]1N |r,wU:1.0,36.43,25.28,wD:23.25,(-6.53,8.49,;-5.91,7.08,;-6.68,5.75,;-5.65,4.6,;-4.24,5.23,;-4.24,3.69,;-2.91,2.92,;-1.57,3.69,;-1.57,5.23,;-2.91,6,;-.24,2.92,;-.24,1.38,;1.09,.61,;2.43,1.38,;3.89,.9,;4.8,2.15,;3.89,3.4,;2.43,2.92,;1.09,3.69,;4.37,-.56,;5.88,-.88,;6.35,-2.34,;5.32,-3.49,;5.8,-4.95,;5.1,-6.33,;6.47,-7.02,;6.95,-8.49,;7.17,-5.65,;3.81,-3.17,;2.78,-4.31,;1.28,-3.99,;.8,-2.53,;1.83,-1.38,;3.34,-1.7,;.25,-5.14,;-.78,-6.28,;-4.4,6.76,;-3.26,7.79,)|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2nc(N)ccc12
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2cc(ccc12)-c1ncon1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(C)ccc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN([C@@H]3C[C@H](O)C3)c3cc(ccc23)C#N)[C@@H]1N |r,wU:1.0,36.43,wD:23.25,25.28,(-6.53,8.49,;-5.91,7.08,;-6.68,5.75,;-5.65,4.6,;-4.24,5.23,;-4.24,3.69,;-2.91,2.92,;-1.57,3.69,;-1.57,5.23,;-2.91,6,;-.24,2.92,;-.24,1.38,;1.09,.61,;2.43,1.38,;3.89,.9,;4.8,2.15,;3.89,3.4,;2.43,2.92,;1.09,3.69,;4.37,-.56,;5.88,-.88,;6.35,-2.34,;5.32,-3.49,;5.8,-4.95,;7.17,-5.65,;6.47,-7.02,;6.95,-8.49,;5.1,-6.33,;3.81,-3.17,;2.78,-4.31,;1.28,-3.99,;.8,-2.53,;1.83,-1.38,;3.34,-1.7,;.25,-5.14,;-.78,-6.28,;-4.4,6.76,;-3.26,7.79,)|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c(F)cccc12
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCc2c1cccc2-c1nccs1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2cncs2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3nnccc23)[C@@H]1N |r|
NC1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
COC(=O)NCC1(C)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2cc(ccc12)C#N
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3nc(ccc23)C(=O)N(C)C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3cnncc23)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2cc(ccc12)C(N)=O
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2nc(ccc12)C(N)=O
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2ncco2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3cc(ccc23)-c2nccs2)[C@@H]1N |r|
NC1CCOC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
CC1(CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12)C(N)=O
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCNc3nc(ccc23)-c2cnn(C)c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccnc3S(C)(=O)=O)[C@@H]1N |r|
CC(=O)N1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c2ccccc12
NCC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)C(F)F)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3cc(ccc23)-c2nnc(C)o2)[C@@H]1N |r|
COc1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
NC(C1CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12)C(O)=O
Cn1cc(cn1)-c1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC2(CCC[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(cccc23)N=S(C)(C)=O)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2cc(ccc12)C(N)=O
NCC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2nc(ccc12)-c1ncon1 |r|
CN=[S@](C)(=O)c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c1cccc2-c1ccccn1
NCC1(CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12)C(N)=O
CN=[S@@](C)(=O)c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c1cccc2-c1cccnc1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCC(C(F)F)c2cc(ccc12)C#N
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3ncccc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3[S@@](C)(=N)=O)[C@@H]1N |r|
Cn1cc(cn1)-c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1
Cn1cc(cn1)-c1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C(C)=O)c3cc(ccc23)C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3[S@](C)(=N)=O)[C@@H]1N |r|
Cn1cc(cn1)-c1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1
C[C@H]1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccc(cc12)-c1ncon1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccnc3-c2ccnn2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(CC(O)=O)c3cc(ccc23)C#N)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2cc(ccc12)C(F)(F)F
CN1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccc(nc12)C#N
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2cncnc2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccnc3-c2nccs2)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c1cccc2-c1nccs1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c1cccc2S(C)(=O)=O
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2ccnnc2)[C@@H]1N |r|
CNC(=O)Cc1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c1cccc2-c1ccccc1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(CNC(C)=O)ccc23)[C@@H]1N |r|
CO\N=C\c1ccc2N(CC[C@H](C)c2c1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c1cccc2-c1cccnc1
CC(=O)N1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccc(cc12)C#N
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccnc3N2CCOCC2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)C2=CCNCC2)[C@@H]1N |r,t:34|
Cc1ccncc1-c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1
Cn1cc(cn1)-c1ccc2N(CCOc2n1)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-n2cnnc2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3cc(C)ccc23)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCN(c2cccnc2)c2ccccc12
CNC(=O)N1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)C2CCOC2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccc(Cl)c3-c2nnc(C)o2)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c1cccc2-c1ccc(F)cc1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCNc2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3nc(ccc23)-c2cnn(C)c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3nc(ccc23)-c2ncn[nH]2)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c1cccc2-c1ccc(F)c(F)c1
CSc1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
CCCn1cc(cn1)-c1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(CO)cccc23)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c1cccc2-c1nc(cs1)C(O)=O
CS(=O)c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
CC(C)n1cc(cn1)-c1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C)c3nc(ccc23)-c2ccn[nH]2)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c1cccc2-c1cc(F)c(F)c(F)c1
CCC(=O)N1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccccc12
CNC(=O)N1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c2ncccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3-c2ncon2)[C@@H]1N |r|
Cc1nnc2c(cccn12)-c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCN(C(=O)CO)c2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(Oc4cnn(C)c4)ccc23)[C@@H]1N |r|
CNC(=O)Cc1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CN1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccc(Cl)nc12
COc1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(CCO)cccc23)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c1cccc2-c1cccc(Oc2ccccc2)c1
C[C@@H]1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccc(nc12)-c1nccs1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCNc3cc(ccc23)-c2cnn(C)c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(\C=N/O)ccc23)[C@@H]1N |r|
NCC1(F)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@H]1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccc(nc12)-c1nccs1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2cnn(c2)C(F)F)[C@@H]1N |r|
COCCNC(=O)c1ccc2N(CC[C@@H](C)c2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2cc(ccc12)C#N
C[C@H]1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccc(nc12)-c1nnc[nH]1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2cnco2)[C@@H]1N |r|
CC(C)NC(=O)c1ccc2N(CC[C@@H](C)c2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c(cccc12)C(F)F
C[C@@H]1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccc(nc12)-c1nnc[nH]1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2noc(C)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(CCO)c3cc(ccc23)C#N)[C@@H]1N |r|
CNC(=O)c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3ncccc23)[C@@H]1N |r|
CCc1nc(no1)-c1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C)c3c2cccc3-c2cnn(C)c2)[C@@H]1N |r|
CN(C)C(=O)c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3ncccc23)C1O |r,w:29.35|
CC(C)c1nc(no1)-c1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(CC#N)cccc23)[C@@H]1N |r|
COC(=O)c1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
NC1=NCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |t:1|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC(=O)Nc3ncncc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C)c3nc(ccc23)C(=O)NCc2cccnc2)[C@@H]1N |r|
NCC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
NC1CCCC11CCN(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C(C)=O)c3cc(ccc23)-c2cnn(C)c2)[C@@H]1N |r|
COCCNC(=O)c1ccc2N(CC[C@H](C)c2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CCCC1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccccc12
N[C@@H]1CCC[C@]11CCN(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCOc3nc(ccc23)-c2cnn(C)c2)[C@@H]1N |r|
CO\N=C\c1ccc2N(CC[C@H](C)c2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CCC1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccccc12
N[C@H]1CCC[C@@]11CCN(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(c3ccccc23)S(C)(=O)=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3nc(ccc23)C(=O)NCc2cccnc2)[C@@H]1N |r|
CCc1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
N[C@@H]1CCC[C@@]11CCN(C1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C(F)F)c3cc(ccc23)C#N)[C@@H]1N |r|
CC(C)NC(=O)c1ccc2N(CC[C@H](C)c2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c(cccc12)C1CC1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccc(C#N)c3C2CC2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C(F)F)c3cc(ccc23)C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3nc(ccc23)C(=O)NCCO)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c(cccc12)C#N
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(C)c(ccc23)C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2nc(C)co2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C)c3nc(ccc23)-c2ncc[nH]2)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCC(C)(C)c2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3-c2cnn(C)c2)[C@@H]1N |r|
CNC(=O)c1ccc2N(CCNc2c1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3nc(ccc23)-c2ncc[nH]2)[C@@H]1N |r|
CC(C)C1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccc(C#N)c3-c2cnn(C)c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(C)cccc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C)c3nc(ccc23)-c2noc(=O)[nH]2)[C@@H]1N |r|
Cc1ccnc2CCCN(c3n[nH]c4nc(cnc34)N3CCC(C)(CN)CC3)c12
N[C@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CNC(=O)N1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c2cccnc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3nc(ccc23)-c2noc(=O)[nH]2)[C@@H]1N |r|
CC(C)c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCNc3cc(ccc23)-c2ccnnc2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C)c3nc(ccc23)-c2nnc[nH]2)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2cc(ccc12)S(C)(=O)=O
N[C@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
COCCn1cc(cn1)-c1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(CC(=O)N(C)C)c3cc(ccc23)C#N)[C@@H]1N |r|
CC1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccc(cc12)C#N
N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CCn1cc(cn1)-c1ccc2N(CCCc2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3nc(ccc23)-c2nnc[nH]2)[C@@H]1N |r|
O=C1NC2(CO1)CCN(CC2)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccnc3C(N)=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(CS(C)(=O)=O)cccc23)[C@@H]1N |r|
C[C@@H]1C[C@H](O)CCN1c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
NC1=NC2(CO1)CCN(CC2)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |t:1|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)C2=CCOC2)[C@@H]1N |r,t:34|
CC(C)S(=O)(=O)c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCC(c2ccccc2)c2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3cc(ccc23)C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3ccc(cc3C2)-c2cnn(C)c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3S(=O)(=O)C2CC2)[C@@H]1N |r|
CCCC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCC(C)c3cc(ccc23)C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3cc(ccc3C2)-c2cnn(C)c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(CN4CCOCC4)cccc23)[C@@H]1N |r|
CCC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C)c3cc(ccc23)C#N)[C@@H]1N |r|
N[C@@H]1CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(CN4CCOC4=O)cccc23)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCC(CO)c2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3cc(ccc23)C#N)[C@@H]1N |r|
N[C@H]1CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
COCCS(=O)(=O)c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CNC(=O)C1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3c2cccc3-c2nccs2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCS(=O)(=O)c3ccccc23)[C@@H]1N |r|
COC(=O)Cc1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
COC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
CC1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CNC(=O)C3)CC2)c2cccnc12
CNC(=O)N1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c2ccccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3C(C)=C)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CC[C@H](CO)c2ccccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCC(C)c3cc(C#N)c(F)cc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(NS(C)(=O)=O)cccc23)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CC[C@@H](CO)c2ccccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2cnn(C)c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(cccc23)N(S(C)(=O)=O)S(C)(=O)=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3S(=O)(=O)C2COC2)[C@@H]1N |r|
C[C@@H]1C[C@@H](CN)CCN1c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccnc3N2CCOC2=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccc(C)c3S(C)(=O)=O)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3S(=O)(=O)c2cnn(C)c2)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCC(c2ccccc12)C(F)(F)F
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccnc3-c2cnn(C)c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccc(C2=CCCC=C2)c3S(C)(=O)=O)[C@@H]1N |r,c:36,t:32|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(CN(C)C(C)=O)cccc23)[C@@H]1N |r|
CNC(=O)c1cccc2N(CCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3cc(ccc23)-c2ncon2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C)c3nc(ccc23)C(=O)N(C)C)[C@@H]1N |r|
N[C@@H]1C[C@H](O)CC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCc2c1cccc2C(N)=O
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccnc3C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2cccnn2)[C@@H]1N |r|
N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C[C@@H]1C[C@H](CN)CCN1c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@@H](C)c3c(F)c(ccc23)C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3S(=O)(=O)N(C)C)[C@@H]1N |r|
CO[C@H]1C[C@H](C1)N1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c2ccc(cc12)C#N |r,wU:27.31,25.28,wD:4.6,2.1,(5.96,-9.06,;6.99,-7.92,;6.52,-6.45,;7.22,-5.08,;5.85,-4.38,;5.15,-5.75,;5.37,-2.92,;6.4,-1.77,;5.92,-.31,;4.42,.01,;3.94,1.48,;4.85,2.72,;3.94,3.97,;2.48,3.49,;1.14,4.26,;-.19,3.49,;-.19,1.95,;1.14,1.18,;2.48,1.95,;-1.52,4.26,;-2.86,3.49,;-4.19,4.26,;-4.19,5.8,;-5.6,5.18,;-6.63,6.32,;-5.86,7.65,;-6.48,9.06,;-4.35,7.33,;-3.02,8.1,;-2.86,6.57,;-1.52,5.8,;3.39,-1.13,;1.88,-.81,;.85,-1.96,;1.33,-3.42,;2.83,-3.74,;3.86,-2.6,;.3,-4.57,;-.73,-5.71,)|
C[C@H](N)C1(C)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3c(F)c(ccc23)C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2cnccn2)[C@@H]1N |r|
CO[C@H]1C[C@@H](C1)N1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c2ccc(cc12)C#N |r,wU:25.28,27.31,2.1,wD:4.6,(5.86,-9.06,;6.89,-7.92,;6.41,-6.45,;5.04,-5.75,;5.74,-4.38,;7.11,-5.08,;5.26,-2.92,;6.29,-1.77,;5.82,-.31,;4.31,.01,;3.84,1.48,;4.74,2.72,;3.84,3.97,;2.37,3.49,;1.04,4.26,;-.3,3.49,;-.3,1.95,;1.04,1.18,;2.37,1.95,;-1.63,4.26,;-2.96,3.49,;-4.3,4.26,;-4.3,5.8,;-5.7,5.18,;-6.73,6.32,;-5.96,7.65,;-6.59,9.06,;-4.46,7.33,;-3.31,8.37,;-2.96,6.57,;-1.63,5.8,;3.28,-1.13,;1.78,-.81,;.74,-1.96,;1.22,-3.42,;2.73,-3.74,;3.76,-2.6,;.19,-4.57,;-.84,-5.71,)|
C[C@@H](N)C1(C)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCC(=C(F)F)c3ccccc23)[C@@H]1N |r,wU:1.0,32.38,(-6.48,7.29,;-5.85,5.89,;-6.62,4.55,;-5.59,3.41,;-4.18,4.04,;-4.18,2.5,;-2.85,1.73,;-1.52,2.5,;-1.52,4.04,;-2.85,4.81,;-.18,1.73,;-.18,.19,;1.15,-.58,;2.48,.19,;3.95,-.29,;4.85,.96,;3.95,2.2,;2.48,1.73,;1.15,2.5,;4.43,-1.76,;5.93,-2.08,;6.41,-3.54,;5.38,-4.68,;5.85,-6.15,;4.82,-7.29,;7.36,-6.47,;3.87,-4.36,;2.84,-5.51,;1.33,-5.19,;.86,-3.72,;1.89,-2.58,;3.39,-2.9,;-4.34,5.57,;-3.2,6.6,)|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2cnn(CCO)c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C3CN(C3)C(C)=O)c3cc(ccc23)C#N)[C@@H]1N |r|
CC1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccc(cc12)C(N)=O
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccnc3C2CC2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(CC#N)ccc23)[C@@H]1N |r|
CO[C@H]1C[C@@H](C1)N1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c2ccc(cc12)C#N |r,wU:25.28,27.31,2.1,wD:4.6,(7.75,-8.24,;6.25,-7.92,;5.77,-6.45,;4.4,-5.75,;5.1,-4.38,;6.47,-5.08,;4.62,-2.92,;5.65,-1.77,;5.18,-.31,;3.67,.01,;3.19,1.48,;4.1,2.72,;3.19,3.97,;1.73,3.49,;.4,4.26,;-.94,3.49,;-.94,1.95,;.4,1.18,;1.73,1.95,;-2.27,4.26,;-3.6,3.49,;-4.94,4.26,;-4.94,5.8,;-6.35,5.18,;-7.38,6.32,;-6.61,7.65,;-7.23,9.06,;-5.1,7.33,;-3.95,8.37,;-3.6,6.57,;-2.27,5.8,;2.64,-1.13,;1.13,-.81,;.1,-1.96,;.58,-3.42,;2.09,-3.74,;3.12,-2.6,;-.45,-4.57,;-1.48,-5.71,)|
CNC(=O)c1ccc2N(CCc2c1)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(C)nccc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC[C@H](C)c3cc(ccc23)-c2nnc(C)o2)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(NCc3ccccc3)n[nH]c2n1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCc2cc(ccc12)C(N)=O
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCNc3ccccc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3cc(C)ccc23)[C@@H]1N |r|
CNCCN(C)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
C[C@@H]1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccc(cc12)C#N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C(C)=O)c3ccccc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3ccccc23)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(Sc3ccc[nH]c3=O)n[nH]c2n1
C[C@H]1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c2ccc(cc12)C#N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccnc3C(F)F)[C@@H]1N |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(Sc3cccnc3C(F)(F)F)n[nH]c2n1 |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCC(C#N)c2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)C2=CCOCC2)[C@@H]1N |r,t:34|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3ccccc3C2C)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(Sc3cc[nH]c(=O)c3O)n[nH]c2n1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCc2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC(=O)N(C)c3ccccc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3cccc(-c4cnn(C)c4)c3C2)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCC(O)c2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)C2CCOCC2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCc3cccc(C#N)c3C2)[C@@H]1N |r|
COc1nccc(Sc2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c1Cl
Cc1c(ccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1)C#N
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccn(C)c3=O)[C@@H]1N |r|
CCC(=O)N1CCN(c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c2ccccc12 |r|
Cn1cc(cn1)-c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CC(=O)Nc3cnccc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2nc(C)cs2)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc2c(Sc3cccnc3C(N)=O)n[nH]c2n1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c1ccc(C#N)c2C1CC1
CCOC(=O)c1cccc2N(CCCc12)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CNC(=O)c1ccc2N(CC[C@H](C)c2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CC1(N)CCN(CC1)c1cnc2c(Sc3cccnc3C(O)=O)n[nH]c2n1
CC1CN(c2ccccc12)c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)C(N)=O)[C@@H]1N |r|
CNC(=O)c1ccc2N(CC[C@@H](C)c2n1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
N[C@@H]1COCC11CCN(CC1)c1cnc2c(Sc3cccnc3C(F)(F)F)n[nH]c2n1 |r|
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCc2ncccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2cccc3C(O)=O)[C@@H]1N |r|
Cn1ccc(Sc2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c(Cl)c1=O
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCc2cnccc12
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3cc(ccc23)-c2cnn(C)c2)[C@@H]1N |r|
NCC1(F)CCN(CC1)c1cnc2c(Sc3ccccc3Cl)n[nH]c2n1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2nc(ccc12)C#N
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3nc(ccc23)-c2ncon2)[C@@H]1N |r|
CNC(=O)c1ccc2N(CCN(C)c2c1)c1n[nH]c2nc(cnc12)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r|
CC1(N)CCN(CC1)c1cnc2c(Sc3ccncc3)n[nH]c2n1
Cn1nc(Sc2ccncc2)c2ncc(nc12)N1CCC(C)(N)CC1
CC(=O)N1CCCC(C1)Sc1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1
CC1(N)CCN(CC1)c1cnc2c(Sc3ccnc(N)c3F)n[nH]c2n1
CC1CNCC(C1)Sc1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1
CN(c1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1)c1ccnc(N)c1
CC1(N)CCN(CC1)c1cnc2c(SC3CCCNC3)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Sc3ncnc4ccccc34)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Nc3ccnc(N)c3Cl)n[nH]c2n1
COC(=O)CCc1ncccc1Nc1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1
CC1(N)CCN(CC1)c1cnc2c(Sc3cccn4ccnc34)n[nH]c2n1
CNc1nccc(Sc2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c1Cl
CC1(CN)CCN(CC1)c1cnc2c(Nc3ccnc(N)c3Cl)n[nH]c2n1
CC1(CN)CCN(C1)c1cnc2c(Nc3ccnc(Cl)c3Cl)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Nc3ccnc(Cl)c3Cl)n[nH]c2n1
Cn1nc(Oc2ccnc(Cl)c2Cl)c2ncc(nc12)N1CCC(C)(CN)CC1
CC1(N)CCN(CC1)c1cnc2c(Oc3ncccc3Cl)n[nH]c2n1
Cc1cncc(Cl)c1Oc1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1
Cc1nccc(Oc2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c1Cl
CC1(CN)CCN(CC1)c1cnc2c(Oc3ccc4[nH]ccc4c3)n[nH]c2n1
Cn1cc(cn1)-c1nccc(Oc2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c1Cl
CC1(N)CCN(CC1)c1cnc2c(Oc3cnccc3N)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3cccnc3N)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3cnccc3Cl)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3cccnc3Cl)n[nH]c2n1
Cn1ccc(Sc2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)cc1=O
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(Oc4ccnc(Cl)c4Cl)n[nH]c3n2)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(Sc3ccn4nccc4c3)n[nH]c2n1
CC1(CN)CCN(CC1)c1cnc2c(SC3=CC4C=CN=CC4C=C3)n[nH]c2n1 |c:19,21,25,t:16|
CC1(CN)CCN(CC1)c1cnc2c(Sc3ccnc4[nH]ccc34)n[nH]c2n1
CC1(CN)CCN(CC1)c1cnc2c(Sc3ccc4cccnc4c3Cl)n[nH]c2n1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(Oc4ccnc(C)c4Cl)n[nH]c3n2)[C@@H]1N |r|
CC1(CN)CCN(CC1)c1cnc2c(Oc3cc(N)nc(Cl)c3Cl)n[nH]c2n1
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccc(C#N)c3[C@H]2CN(C)C(=O)C2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(cccc23)[C@@H]2CN(C)C(=O)C2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccc(C#N)c3[C@@H]2CCCO2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(cccc23)[C@H]2CN(C)C(=O)C2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccc(C#N)c3[C@H]2CCCO2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c2ccc(C#N)c3[C@@H]2CN(C)C(=O)C2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C3C[C@@](C)(O)C3)c3cc(ccc23)C#N)[C@@H]1N |r,wU:37.44,1.0,25.29,wD:25.28,(-7.1,8.42,;-6.47,7.02,;-7.24,5.68,;-6.21,4.54,;-4.8,5.17,;-4.8,3.63,;-3.47,2.86,;-2.14,3.63,;-2.14,5.17,;-3.47,5.94,;-.8,2.86,;-.8,1.32,;.53,.55,;1.87,1.32,;3.33,.84,;4.24,2.09,;3.33,3.33,;1.87,2.86,;.53,3.63,;3.81,-.63,;5.31,-.95,;5.79,-2.41,;4.76,-3.55,;5.23,-5.02,;6.61,-5.72,;5.91,-7.09,;5.14,-8.42,;7.24,-7.86,;4.53,-6.39,;3.25,-3.23,;2.22,-4.38,;.71,-4.06,;.24,-2.59,;1.27,-1.45,;2.78,-1.77,;-.32,-5.2,;-1.35,-6.34,;-4.96,6.7,;-3.82,7.73,)|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C3C[C@@](C)(O)C3)c3cc(ccc23)C#N)[C@@H]1N |r,wU:37.44,1.0,25.28,wD:25.29,(-7.1,8.42,;-6.47,7.02,;-7.24,5.68,;-6.21,4.54,;-4.8,5.17,;-4.8,3.63,;-3.47,2.86,;-2.14,3.63,;-2.14,5.17,;-3.47,5.94,;-.8,2.86,;-.8,1.32,;.53,.55,;1.87,1.32,;3.33,.84,;4.24,2.09,;3.33,3.33,;1.87,2.86,;.53,3.63,;3.81,-.63,;5.31,-.95,;5.79,-2.41,;4.76,-3.55,;5.23,-5.02,;4.53,-6.39,;5.91,-7.09,;5.14,-8.42,;7.24,-7.86,;6.61,-5.72,;3.25,-3.23,;2.22,-4.38,;.71,-4.06,;.24,-2.59,;1.27,-1.45,;2.78,-1.77,;-.32,-5.2,;-1.35,-6.34,;-4.96,6.7,;-3.82,7.73,)|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3c(CC#N)c(ccc23)C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(CCF)c3cc(ccc23)C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(C3CC(F)(F)C3)c3cc(ccc23)C#N)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3ncsc23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCN(c3cc(ccc23)C#N)C23CC(F)(C2)C3)[C@@H]1N |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
COc1nc(c(N)nc1N1CCC2(CO[C@@H](C)[C@H]2N)CC1)-c1cccc(Cl)c1Cl |r|
CC1(N)CCN(CC1)c1cnc2c(Oc3ccccc3)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(OC3CCCNC3)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(OCc3ccccc3)n[nH]c2n1
Cc1cc(Oc2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)ccn1
Cc1cnccc1Oc1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1
CC1(N)CCN(CC1)c1cnc2c(OCc3cccnc3)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3ccccc3C#N)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3ncccc3C#N)n[nH]c2n1
CC(Oc1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1)c1ccccc1
Cc1nccc(Oc2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c1C
CC1(N)CCN(CC1)c1cnc2c(OCc3cccnc3N)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3ccccc3Cl)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3ccncc3Cl)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(OCc3ccccc3C#N)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3ccc(N)cc3C#N)n[nH]c2n1 |$;;;;;;;;;;;;;;;;;;;;;;;;NH;;$|
CC(=O)N1CCCC(C1)Oc1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1
CC1(N)CCN(CC1)c1cnc2c(Oc3ccc(N)cc3Cl)n[nH]c2n1
Cc1cc(Oc2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c(Cl)cn1
C[C@H]1C[C@H](N)CCN1c1cnc2c(Oc3ccnc(C)c3Cl)n[nH]c2n1 |r|
Cc1nccc(Oc2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c1Cl
CC1(N)CCN(CC1)c1cnc2c(OCc3ccncc3Cl)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3ccnc(N)c3Cl)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3cc(N)ncc3Cl)n[nH]c2n1
CC1(CN)CCN(C1)c1cnc2c(Oc3ccnc(N)c3Cl)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3cccc(n3)C(F)F)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3ccnc(O)c3Cl)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(OCc3cccc4[nH]ccc34)n[nH]c2n1
COc1nccc(Oc2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c1C#N
CC1(CN)CCN(CC1)c1cnc2c(Oc3ccnc(N)c3Cl)n[nH]c2n1
Cc1nccc(Oc2n[nH]c3nc(cnc23)N2CCC(O)(CN)CC2)c1Cl
COc1nccc(Oc2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c1Cl
CC1(N)CCN(CC1)c1cnc2c(Oc3ccncc3C(F)(F)F)n[nH]c2n1
CC1(CN)CCN(C1)c1cnc2c(Oc3ccnc(Cl)c3Cl)n[nH]c2n1
C[C@H]1C[C@H](N)CCN1c1cnc2c(Oc3ccnc(Cl)c3Cl)n[nH]c2n1 |r|
CC1(N)CCN(CC1)c1cnc2c(Oc3ccnc(Cl)c3Cl)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3ccnc(C(N)=O)c3Cl)n[nH]c2n1
CC1(CN)CCN(CC1)c1cnc2c(Oc3ccnc(Cl)c3Cl)n[nH]c2n1
NCC1(O)CCN(CC1)c1cnc2c(Oc3ccnc(Cl)c3Cl)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3ccnc(NC4COC4)c3Cl)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3cc(Br)ncc3Cl)n[nH]c2n1
Cn1cc(cn1)-c1nccc(Oc2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c1Cl
CC1(N)CCN(CC1)c1cnc2c(Oc3ccnc(-c4nccs4)c3Cl)n[nH]c2n1
CC1(N)CCN(CC1)c1cnc2c(Oc3ccnc(N4CCOCC4)c3Cl)n[nH]c2n1
COc1ccc(Cn2nc(Oc3ccnc(Cl)c3Cl)c3ncc(nc23)N2CC[C@@H](N)C[C@@H]2C)cc1 |r|
COc1ccc(Cn2nc(Oc3ccnc(Cl)c3Cl)c3ncc(nc23)N2CCC(O)(CN)CC2)cc1
Cn1cc(cn1)N1CCN(c2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c2ccccc12
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2c1cccc2-c1nccs1
CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCC(c2cccnc2)c2ccccc12
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)c3ncnn23)[C@@H]1N |r|
CC1(N)CCN(CC1)c1ncc(-c2cccc(Cl)c2Cl)c2nccn12
N[C@@H]1CCCC11CCN(CC1)c1ccc(-c2cccc(Cl)c2Cl)c2cncn12 |r|
COc1cccc(c1Cl)-c1c(C)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r,wD:22.24,20.21,(-8.65,2.08,;-7.32,1.31,;-5.99,2.08,;-5.99,3.62,;-4.65,4.39,;-3.32,3.62,;-3.32,2.08,;-4.65,1.31,;-4.65,-.23,;-1.98,1.31,;-.65,2.08,;-.65,3.62,;.68,1.31,;.68,-.23,;2.02,-1,;2.02,-2.54,;3.35,-3.31,;4.68,-2.54,;4.84,-4.07,;6.35,-4.39,;7.12,-3.06,;8.65,-2.9,;6.09,-1.91,;6.41,-.41,;4.68,-1,;3.35,-.23,;-.65,-1,;-.97,-2.51,;-2.5,-2.67,;-3.13,-1.26,;-1.98,-.23,)|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N4CC(O)C4)c3Cl)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N4CC(C4)S(C)(=O)=O)c3Cl)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N4CC(C4)C#N)c3Cl)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(C(=O)N(C)C)c3Cl)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4nc[nH]c34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(C)nc(N)c3)c3nccn23)[C@@H]1N |r|
NC1CC2(C1)CN(C2)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12
Nc1nccc(Sc2cnc(N3CCC4(CNC4)CC3)n3ccnc23)c1Cl
N[C@H]1CCN(C1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12 |r|
NCCC1CN(C1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12
NCCNc1ncc(Sc2ccnc(N)c2Cl)c2nccn12
NC[C@H]1CCN(C1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12 |r|
N[C@H]1[C@@H]2CN(C[C@H]12)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12 |r|
CC1(N)CN(C1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12
Nc1nccc(Sc2cnc(N3CCNCC3)n3ccnc23)c1Cl
N[C@@H]1CCN(C1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(Sc3ccnc(N)c3Cl)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4cn[nH]c4c3)c3nccn23)[C@@H]1N |r|
COc1ccc(c(Cl)c1C#N)-c1c(C)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r,wD:24.26,22.23,(-8.65,3.62,;-7.32,4.39,;-5.99,3.62,;-4.65,4.39,;-3.32,3.62,;-3.32,2.08,;-4.65,1.31,;-4.65,-.23,;-5.99,2.08,;-7.32,1.31,;-8.65,.54,;-1.98,1.31,;-.65,2.08,;-.65,3.62,;.68,1.31,;.68,-.23,;2.02,-1,;2.02,-2.54,;3.35,-3.31,;4.68,-2.54,;4.84,-4.07,;6.35,-4.39,;7.12,-3.06,;8.65,-2.9,;6.09,-1.91,;6.41,-.41,;4.68,-1,;3.35,-.23,;-.65,-1,;-.97,-2.51,;-2.5,-2.67,;-3.13,-1.26,;-1.98,-.23,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc4nc[nH]c34)c3nccn23)[C@@H]1N |r,wU:29.35,1.0,(5.64,-6.63,;5.02,-5.22,;5.79,-3.89,;4.76,-2.75,;3.35,-3.37,;2.02,-4.14,;.68,-3.37,;.68,-1.83,;2.02,-1.06,;3.35,-1.83,;-.65,-1.06,;-.65,.48,;-1.98,1.25,;-1.98,2.79,;-3.32,.48,;-4.65,1.25,;-5.99,.48,;-7.32,1.25,;-7.32,2.79,;-5.99,3.56,;-5.67,5.06,;-4.13,5.22,;-3.51,3.82,;-4.65,2.79,;-3.32,-1.06,;-4.46,-2.09,;-3.84,-3.5,;-2.3,-3.34,;-1.98,-1.83,;3.51,-4.9,;5.08,-1.24,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4[nH]cnc4c3)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4n(C)ncc4c3)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc4cc[nH]c34)c3nccn23)[C@@H]1N |r,wU:29.35,1.0,(5.64,-6.63,;5.02,-5.22,;5.79,-3.89,;4.76,-2.75,;3.35,-3.37,;2.02,-4.14,;.68,-3.37,;.68,-1.83,;2.02,-1.06,;3.35,-1.83,;-.65,-1.06,;-.65,.48,;-1.98,1.25,;-1.98,2.79,;-3.32,.48,;-4.65,1.25,;-5.99,.48,;-7.32,1.25,;-7.32,2.79,;-5.99,3.56,;-5.67,5.06,;-4.13,5.22,;-3.51,3.82,;-4.65,2.79,;-3.32,-1.06,;-4.46,-2.09,;-3.84,-3.5,;-2.3,-3.34,;-1.98,-1.83,;3.51,-4.9,;5.08,-1.24,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc4cn[nH]c34)c3nccn23)[C@@H]1N |r,wU:29.35,1.0,(5.64,-6.63,;5.02,-5.22,;5.79,-3.89,;4.76,-2.75,;3.35,-3.37,;2.02,-4.14,;.68,-3.37,;.68,-1.83,;2.02,-1.06,;3.35,-1.83,;-.65,-1.06,;-.65,.48,;-1.98,1.25,;-1.98,2.79,;-3.32,.48,;-4.65,1.25,;-5.99,.48,;-7.32,1.25,;-7.32,2.79,;-5.99,3.56,;-5.67,5.06,;-4.13,5.22,;-3.51,3.82,;-4.65,2.79,;-3.32,-1.06,;-4.46,-2.09,;-3.84,-3.5,;-2.3,-3.34,;-1.98,-1.83,;3.51,-4.9,;5.08,-1.24,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cc(Cl)c4cn[nH]c4c3)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cc4[nH]ncc4cc3Cl)c3nccn23)[C@@H]1N |r,wD:30.36,1.0,(8.5,-2.9,;6.97,-3.06,;6.2,-4.39,;4.7,-4.07,;4.54,-2.54,;3.2,-3.31,;1.87,-2.54,;1.87,-1,;3.2,-.23,;4.54,-1,;.53,-.23,;.53,1.31,;-.8,2.08,;-.8,3.62,;-2.13,1.31,;-3.47,2.08,;-4.8,1.31,;-6.13,2.08,;-7.6,1.6,;-8.5,2.85,;-7.6,4.1,;-6.13,3.62,;-4.8,4.39,;-3.47,3.62,;-2.13,4.39,;-2.13,-.23,;-3.28,-1.26,;-2.65,-2.67,;-1.12,-2.51,;-.8,-1,;5.94,-1.91,;6.26,-.41,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4[nH]ncc4c3)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cc4ccccc4n3C)c3nccn23)[C@@H]1N |r,wU:30.36,1.0,(6.68,-6.24,;6.06,-4.83,;6.83,-3.49,;5.8,-2.35,;4.39,-2.98,;3.06,-3.75,;1.72,-2.98,;1.72,-1.44,;3.06,-.67,;4.39,-1.44,;.39,-.67,;.39,.87,;-.94,1.64,;-.94,3.18,;-2.28,.87,;-3.61,1.64,;-5.02,1.02,;-6.05,2.16,;-7.59,2.16,;-8.36,3.49,;-7.59,4.83,;-6.05,4.83,;-5.28,3.49,;-3.73,3.2,;-2.59,4.23,;-2.28,-.67,;-3.42,-1.7,;-2.8,-3.1,;-1.26,-2.94,;-.94,-1.44,;4.55,-4.51,;6.12,-.84,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4nccnc4c3Cl)c3nccn23)[C@@H]1N |r,wU:31.37,1.0,(6.98,-5.8,;6.35,-4.39,;7.12,-3.06,;6.09,-1.91,;4.68,-2.54,;3.35,-3.31,;2.02,-2.54,;2.02,-1,;3.35,-.23,;4.68,-1,;.68,-.23,;.68,1.31,;-.65,2.08,;-.65,3.62,;-1.98,1.31,;-3.32,2.08,;-3.32,3.62,;-4.65,4.39,;-5.99,3.62,;-7.32,4.39,;-8.65,3.62,;-8.65,2.08,;-7.32,1.31,;-5.99,2.08,;-4.65,1.31,;-4.65,-.23,;-1.98,-.23,;-3.13,-1.26,;-2.5,-2.67,;-.97,-2.51,;-.65,-1,;4.85,-4.07,;6.41,-.41,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4nccnc4c3)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4CCCOc4c3Cl)c3nccn23)[C@@H]1N |r,wU:31.37,1.0,(6.98,-5.8,;6.35,-4.39,;7.12,-3.06,;6.09,-1.91,;4.68,-2.54,;3.35,-3.31,;2.02,-2.54,;2.02,-1,;3.35,-.23,;4.68,-1,;.68,-.23,;.68,1.31,;-.65,2.08,;-.65,3.62,;-1.98,1.31,;-3.32,2.08,;-3.32,3.62,;-4.65,4.39,;-5.99,3.62,;-7.32,4.39,;-8.65,3.62,;-8.65,2.08,;-7.32,1.31,;-5.99,2.08,;-4.65,1.31,;-4.65,-.23,;-1.98,-.23,;-3.13,-1.26,;-2.5,-2.67,;-.97,-2.51,;-.65,-1,;4.85,-4.07,;6.41,-.41,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4CCOc4c3Cl)c3nccn23)[C@@H]1N |r,wU:30.36,1.0,(6.83,-5.8,;6.2,-4.39,;6.97,-3.06,;5.94,-1.91,;4.54,-2.54,;3.2,-3.31,;1.87,-2.54,;1.87,-1,;3.2,-.23,;4.54,-1,;.53,-.23,;.53,1.31,;-.8,2.08,;-.8,3.62,;-2.13,1.31,;-3.47,2.08,;-3.47,3.62,;-4.8,4.39,;-6.13,3.62,;-7.6,4.1,;-8.5,2.85,;-7.6,1.6,;-6.13,2.08,;-4.8,1.31,;-4.8,-.23,;-2.13,-.23,;-3.28,-1.26,;-2.65,-2.67,;-1.12,-2.51,;-.8,-1,;4.7,-4.07,;6.26,-.41,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(C#N)c3Cl)c3nccn23)[C@@H]1N |r,wU:29.34,1.0,(6.98,-5.8,;6.35,-4.39,;7.12,-3.06,;6.09,-1.91,;4.68,-2.54,;3.35,-3.31,;2.02,-2.54,;2.02,-1,;3.35,-.23,;4.68,-1,;.68,-.23,;.68,1.31,;-.65,2.08,;-.65,3.62,;-1.98,1.31,;-3.32,2.08,;-3.32,3.62,;-4.65,4.39,;-5.99,3.62,;-5.99,2.08,;-7.32,1.31,;-8.65,.55,;-4.65,1.31,;-4.65,-.23,;-1.98,-.23,;-3.13,-1.26,;-2.5,-2.67,;-.97,-2.51,;-.65,-1,;4.84,-4.07,;6.41,-.41,)|
COc1c(Cl)c(ccc1C#N)-c1c(C)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r,wU:24.26,22.23,(-8.65,1.7,;-7.32,.93,;-5.99,1.7,;-4.65,.93,;-4.65,-.61,;-3.32,1.7,;-3.32,3.24,;-4.65,4.01,;-5.99,3.24,;-7.32,4.01,;-8.65,4.78,;-1.98,.93,;-.65,1.7,;-.65,3.24,;.68,.93,;.68,-.61,;2.02,-1.38,;2.02,-2.92,;3.35,-3.69,;4.68,-2.92,;6.09,-2.3,;7.12,-3.44,;6.35,-4.78,;6.98,-6.18,;4.85,-4.46,;6.41,-.79,;4.68,-1.38,;3.35,-.61,;-.65,-1.38,;-.97,-2.89,;-2.5,-3.05,;-3.13,-1.64,;-1.98,-.61,)|
COc1nccc(c1Cl)-c1c(C)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r,wD:22.24,20.21,(-8.65,2.08,;-7.32,1.31,;-5.99,2.08,;-5.99,3.62,;-4.65,4.39,;-3.32,3.62,;-3.32,2.08,;-4.65,1.31,;-4.65,-.23,;-1.98,1.31,;-.65,2.08,;-.65,3.62,;.68,1.31,;.68,-.23,;2.02,-1,;2.02,-2.54,;3.35,-3.31,;4.68,-2.54,;4.84,-4.07,;6.35,-4.39,;7.12,-3.06,;8.65,-2.9,;6.09,-1.91,;6.41,-.41,;4.68,-1,;3.35,-.23,;-.65,-1,;-.97,-2.51,;-2.5,-2.67,;-3.13,-1.26,;-1.98,-.23,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4ccnn4c3)c3nccn23)[C@@H]1N |r|
COc1cc(Cl)c(Cl)c(c1)-c1c(C)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r,wD:23.25,21.22,(-6.65,5.55,;-5.32,4.78,;-5.32,3.24,;-6.65,2.47,;-6.65,.93,;-7.99,.16,;-5.32,.16,;-5.32,-1.38,;-3.98,.93,;-3.98,2.47,;-2.65,.16,;-1.32,.93,;-1.32,2.47,;.02,.16,;.02,-1.38,;1.35,-2.15,;1.35,-3.69,;2.68,-4.46,;4.02,-3.69,;4.18,-5.23,;5.68,-5.55,;6.45,-4.21,;7.99,-4.05,;5.42,-3.07,;5.74,-1.56,;4.02,-2.15,;2.68,-1.38,;-1.32,-2.15,;-1.64,-3.66,;-3.17,-3.82,;-3.8,-2.41,;-2.65,-1.38,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc4c(Cl)c[nH]c34)c3nccn23)[C@@H]1N |r,wU:30.36,1.0,(6.97,-5.8,;6.34,-4.39,;7.11,-3.06,;6.08,-1.91,;4.68,-2.54,;3.34,-3.31,;2.01,-2.54,;2.01,-1,;3.34,-.23,;4.68,-1,;.67,-.23,;.67,1.31,;-.66,2.08,;-.66,3.62,;-1.99,1.31,;-3.33,2.08,;-3.33,3.62,;-4.66,4.39,;-5.99,3.62,;-5.99,2.08,;-7.14,1.05,;-8.64,1.37,;-6.51,-.36,;-4.98,-.2,;-4.66,1.31,;-1.99,-.23,;-3.14,-1.26,;-2.51,-2.67,;-.98,-2.51,;-.66,-1,;4.84,-4.07,;6.4,-.41,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccn4ccnc4c3)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cc(Cl)cc4cc[nH]c34)c3nccn23)[C@@H]1N |r,wU:30.36,1.0,(6.31,-6.63,;5.68,-5.22,;6.45,-3.89,;5.42,-2.75,;4.02,-3.37,;2.68,-4.14,;1.35,-3.37,;1.35,-1.83,;2.68,-1.06,;4.02,-1.83,;.02,-1.06,;.02,.48,;-1.32,1.25,;-1.32,2.79,;-2.65,.48,;-3.98,1.25,;-5.32,.48,;-6.65,1.25,;-7.99,.48,;-6.65,2.79,;-5.32,3.56,;-5,5.06,;-3.47,5.22,;-2.84,3.82,;-3.98,2.79,;-2.65,-1.06,;-3.8,-2.09,;-3.17,-3.5,;-1.64,-3.34,;-1.32,-1.83,;4.18,-4.9,;5.74,-1.24,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccnc4cc[nH]c34)c3nccn23)[C@@H]1N |r,wU:29.35,1.0,(5.64,-6.63,;5.02,-5.22,;5.79,-3.89,;4.76,-2.75,;3.35,-3.37,;2.02,-4.14,;.68,-3.37,;.68,-1.83,;2.02,-1.06,;3.35,-1.83,;-.65,-1.06,;-.65,.48,;-1.98,1.25,;-1.98,2.79,;-3.32,.48,;-4.65,1.25,;-5.99,.48,;-7.32,1.25,;-7.32,2.79,;-5.99,3.56,;-5.67,5.06,;-4.13,5.22,;-3.51,3.82,;-4.65,2.79,;-3.32,-1.06,;-4.46,-2.09,;-3.84,-3.5,;-2.3,-3.34,;-1.98,-1.83,;3.51,-4.9,;5.08,-1.24,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc(O)c(Cl)c3Cl)c3nccn23)[C@@H]1N |r,wD:29.34,1.0,(7.99,-2.9,;6.45,-3.06,;5.68,-4.39,;4.18,-4.07,;4.02,-2.54,;2.68,-3.31,;1.35,-2.54,;1.35,-1,;2.68,-.23,;4.02,-1,;.02,-.23,;.02,1.31,;-1.32,2.08,;-1.32,3.62,;-2.65,1.31,;-3.98,2.08,;-3.98,3.62,;-5.32,4.39,;-6.65,3.62,;-7.99,4.39,;-6.65,2.08,;-7.99,1.31,;-5.32,1.31,;-5.32,-.23,;-2.65,-.23,;-3.8,-1.26,;-3.17,-2.67,;-1.64,-2.51,;-1.32,-1,;5.42,-1.91,;5.74,-.41,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc4c(F)c[nH]c34)c3nccn23)[C@@H]1N |r,wU:30.36,1.0,(6.97,-5.8,;6.34,-4.39,;7.11,-3.06,;6.08,-1.91,;4.68,-2.54,;3.34,-3.31,;2.01,-2.54,;2.01,-1,;3.34,-.23,;4.68,-1,;.67,-.23,;.67,1.31,;-.66,2.08,;-.66,3.62,;-1.99,1.31,;-3.33,2.08,;-3.33,3.62,;-4.66,4.39,;-5.99,3.62,;-5.99,2.08,;-7.14,1.05,;-8.64,1.37,;-6.51,-.36,;-4.98,-.2,;-4.66,1.31,;-1.99,-.23,;-3.14,-1.26,;-2.51,-2.67,;-.98,-2.51,;-.66,-1,;4.84,-4.07,;6.4,-.41,)|
C[C@@H]1OCC2(CCN(CC2)c2ncc(-c3cccc(Cl)c3Cl)c3nccn23)[C@@H]1N |r|
COc1cccc(c1Cl)-c1cnc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(-c3ccnc(N)c3)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(-c3ccnc4[nH]ccc34)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(-c3ccnc(N)c3Cl)c3nccn23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(Sc3ccnc(N)c3Cl)c3nncn23)[C@@H]1N |r|
Cc1nc(N2CCC3(CC(C[C@H]3N)N3CC(C3)C#N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl |r,wD:11.12,(-2.22,5.96,;-2.22,4.42,;-.88,3.65,;-.88,2.11,;.45,1.34,;.45,-.2,;1.78,-.97,;3.12,-.2,;3.28,-1.74,;4.79,-2.06,;5.56,-.72,;4.53,.42,;4.85,1.93,;5.41,-3.46,;4.86,-4.9,;6.31,-5.47,;6.85,-4.01,;6.93,-6.88,;7.56,-8.29,;3.12,1.34,;1.78,2.11,;-2.22,1.34,;-2.54,-.17,;-4.07,-.33,;-4.69,1.08,;-3.55,2.11,;-3.55,3.65,;-4.88,4.42,;-6.22,3.65,;-7.55,4.42,;-7.55,5.96,;-6.22,6.73,;-6.22,8.27,;-4.88,5.96,;-3.55,6.73,)|
CNC(=O)O[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(C)c(-c2cccc(Cl)c2Cl)c2nccn12 |r,wD:7.7,5.4,(5.23,-7.81,;6.13,-6.57,;5.5,-5.16,;3.97,-5,;6.41,-3.91,;5.78,-2.51,;6.55,-1.17,;5.52,-.03,;5.84,1.48,;4.12,-.66,;4.28,-2.19,;2.78,-1.43,;1.45,-.66,;1.45,.88,;2.78,1.65,;4.12,.88,;.11,1.65,;.11,3.19,;-1.22,3.96,;-1.22,5.5,;-2.55,3.19,;-3.89,3.96,;-5.22,3.19,;-6.55,3.96,;-6.55,5.5,;-5.22,6.27,;-5.22,7.81,;-3.89,5.5,;-2.55,6.27,;-2.55,1.65,;-3.7,.62,;-3.07,-.78,;-1.54,-.62,;-1.22,.88,)|
COc1cccc(c1Cl)-c1c(C)nc(N2CCC3(C[C@H](C[C@H]3N)OC3COC3)CC2)n2ccnc12 |r,wD:21.23,19.24,(-9.66,3.48,;-8.33,2.71,;-6.99,3.48,;-6.99,5.02,;-5.66,5.79,;-4.33,5.02,;-4.33,3.48,;-5.66,2.71,;-5.66,1.17,;-2.99,2.71,;-1.66,3.48,;-1.66,5.02,;-.32,2.71,;-.32,1.17,;1.01,.4,;1.01,-1.14,;2.34,-1.91,;3.68,-1.14,;3.84,-2.67,;5.34,-2.99,;6.11,-1.66,;5.08,-.52,;5.4,.99,;5.97,-4.4,;7.5,-4.56,;8.44,-5.79,;9.66,-4.85,;8.73,-3.63,;3.68,.4,;2.34,1.17,;-1.66,.4,;-1.98,-1.11,;-3.51,-1.27,;-4.14,.14,;-2.99,1.17,)|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(N)c3Cl)c3nccn23)[C@@H]1N |r|
NC(=O)CNc1ncc(Sc2ccnc(N)c2Cl)c2nccn12
Nc1nccc(Sc2cnc(N3CCC[C@H]3CO)n3ccnc23)c1Cl |r|
Nc1nccc(Sc2cnc(N3CCOCC3)n3ccnc23)c1Cl
Nc1nccc(Sc2cnc(NCC(O)CO)n3ccnc23)c1Cl
Nc1nccc(Sc2cnc(N3C[C@H]4[C@H](O)[C@H]4C3)n3ccnc23)c1Cl |r|
Nc1nccc(Sc2cnc(N3CC[C@H](CO)C3)n3ccnc23)c1Cl |r|
Nc1nccc(Sc2cnc(N3CCC[C@@H]3CO)n3ccnc23)c1Cl |r|
Nc1nccc(Sc2cnc(NCCO)n3ccnc23)c1Cl
C[C@H](O)CNc1ncc(Sc2ccnc(N)c2Cl)c2nccn12 |r|
Nc1nccc(Sc2cnc(N3CC(O)C3)n3ccnc23)c1Cl
Nc1nccc(Sc2cnc(N3CC[C@H](O)C3)n3ccnc23)c1Cl |r|
Nc1nccc(Sc2cnc(N3CC[C@@H](O)C3)n3ccnc23)c1Cl |r|
Nc1nccc(Sc2cnc(N3CCC(CC3)c3ncc[nH]3)n3ccnc23)c1Cl
CC1(O)CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12
Nc1nccc(Sc2cnc(N[C@H]3CC[C@@H](O)C3)n3ccnc23)c1Cl |r|
N[C@@H]1CC[C@@H](C1)Oc1ncc(Sc2ccnc(N)c2Cl)c2nccn12 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c3nccn23)[C@@H]1N |r|
CN(C1CCC(N)CC1)c1nc(C)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(1.57,-.87,;1.57,.67,;3.05,1.07,;3.82,-.27,;5.36,-.27,;6.13,1.07,;7.67,1.07,;5.36,2.4,;3.82,2.4,;.03,.67,;-.74,2,;-2.28,2,;-3.05,3.33,;-3.05,.67,;-4.59,.67,;-5.36,-.67,;-6.9,-.67,;-7.67,.67,;-6.9,2,;-7.67,3.33,;-5.36,2,;-4.59,3.33,;-2.28,-.67,;-.74,-.67,;-3.05,-2,;-2.28,-3.33,;-4.59,-2,)|
NC(=O)c1nc(NC2CCOC3(C2)CN2CCC3CC2)nc(N)c1-c1cccc(Cl)c1Cl |TLB:12:11:16.15:18.19,(-4.58,-3.96,;-4.58,-2.42,;-5.91,-1.65,;-3.25,-1.65,;-1.91,-2.42,;-.58,-1.65,;.76,-2.42,;2.09,-1.65,;2.09,-.11,;3.42,.66,;4.76,-.11,;4.76,-1.65,;3.42,-2.42,;6.24,-1.25,;6.24,-2.79,;3.75,-2.7,;2.98,-4.03,;4.69,-3.41,;5.91,-4.51,;7.25,-3.74,;-.58,-.11,;-1.91,.66,;-1.91,2.2,;-3.25,-.11,;-4.58,.66,;-5.91,-.11,;-7.25,.66,;-7.25,2.2,;-5.91,2.97,;-5.91,4.51,;-4.58,2.2,;-3.25,2.97,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@H]2CCC[C@@]2(CN)C1 |r,wU:24.27,wD:20.21,(-.58,2.83,;-.58,1.29,;.75,.52,;.75,-1.02,;-.58,-1.79,;-1.92,-1.02,;-3.25,-1.79,;-3.25,-3.33,;-4.58,-1.02,;-1.92,.52,;-3.25,1.29,;-4.58,.52,;-5.92,1.29,;-5.92,2.83,;-4.58,3.6,;-4.58,5.14,;-3.25,2.83,;-1.92,3.6,;2.08,-1.79,;2.08,-3.33,;3.55,-3.81,;4.45,-5.05,;5.92,-4.58,;5.92,-3.04,;4.45,-2.56,;5.22,-1.23,;4.45,.11,;3.55,-1.31,)|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wD:1.0,(5.14,-.68,;4.37,-2.02,;5.4,-3.16,;6.94,-3.16,;7.71,-4.49,;6.94,-5.83,;5.4,-5.83,;4.63,-4.49,;3.12,-4.17,;2.96,-2.64,;1.63,-3.41,;.29,-2.64,;.29,-1.1,;1.63,-.33,;2.96,-1.1,;-1.04,-.33,;-1.04,1.21,;-2.37,1.98,;-2.37,3.52,;-3.71,1.21,;-5.04,1.98,;-6.37,1.21,;-7.71,1.98,;-7.71,3.52,;-6.37,4.29,;-6.37,5.83,;-5.04,3.52,;-3.71,4.29,;-3.71,-.33,;-2.37,-1.1,;-5.04,-1.1,;-5.04,-2.64,;-6.37,-.33,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r,wD:29.33,(-2.37,3.52,;-2.37,1.98,;-1.04,1.21,;-1.04,-.33,;-2.37,-1.1,;-3.71,-.33,;-5.04,-1.1,;-5.04,-2.64,;-6.37,-.33,;-3.71,1.21,;-5.04,1.98,;-6.37,1.21,;-7.71,1.98,;-7.71,3.52,;-6.37,4.29,;-6.37,5.83,;-5.04,3.52,;-3.71,4.29,;.29,-1.1,;.29,-2.64,;1.63,-3.41,;2.96,-2.64,;3.12,-4.17,;4.63,-4.49,;5.4,-5.83,;6.94,-5.83,;7.71,-4.49,;6.94,-3.16,;5.4,-3.16,;4.37,-2.02,;5.14,-.68,;2.96,-1.1,;1.63,-.33,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(Cc3scnc3[C@H]2N)CC1 |r,wD:28.32,(-1.92,3.56,;-1.92,2.02,;-.58,1.25,;-.58,-.29,;-1.92,-1.06,;-3.25,-.29,;-4.58,-1.06,;-4.58,-2.6,;-5.92,-.29,;-3.25,1.25,;-4.58,2.02,;-5.92,1.25,;-7.25,2.02,;-7.25,3.56,;-5.92,4.33,;-5.92,5.87,;-4.58,3.56,;-3.25,4.33,;.75,-1.06,;.75,-2.6,;2.08,-3.37,;3.42,-2.6,;3.42,-4.14,;4.88,-4.62,;5.79,-5.87,;7.25,-5.39,;7.25,-3.85,;5.79,-3.37,;4.88,-2.13,;5.65,-.79,;3.42,-1.06,;2.08,-.29,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CC1)Oc1ccccc1[C@H]2N |r,wD:31.36,(-2.37,3.52,;-2.37,1.98,;-1.04,1.21,;-1.04,-.33,;-2.37,-1.1,;-3.71,-.33,;-5.04,-1.1,;-6.37,-.33,;-5.04,-2.64,;-3.71,1.21,;-5.04,1.98,;-6.37,1.21,;-7.71,1.98,;-7.71,3.52,;-6.37,4.29,;-6.37,5.83,;-5.04,3.52,;-3.71,4.29,;.29,-1.1,;.29,-2.64,;1.63,-3.41,;2.96,-2.64,;2.96,-1.1,;1.63,-.33,;3.12,-4.17,;4.63,-4.49,;5.4,-5.83,;6.94,-5.83,;7.71,-4.49,;6.94,-3.16,;5.4,-3.16,;4.37,-2.02,;5.14,-.68,)|
N[C@@H]1c2ccccc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wD:1.0,(5.14,-.68,;4.37,-2.02,;5.4,-3.16,;6.94,-3.16,;7.71,-4.49,;6.94,-5.83,;5.4,-5.83,;4.63,-4.49,;3.12,-4.17,;2.96,-2.64,;1.63,-3.41,;.29,-2.64,;.29,-1.1,;1.63,-.33,;2.96,-1.1,;-1.04,-.33,;-1.04,1.21,;-2.37,1.98,;-2.37,3.52,;-3.71,1.21,;-5.04,1.98,;-6.37,1.21,;-7.71,1.98,;-7.71,3.52,;-6.37,4.29,;-6.37,5.83,;-5.04,3.52,;-3.71,4.29,;-3.71,-.33,;-2.37,-1.1,;-5.04,-1.1,;-5.04,-2.64,;-6.37,-.33,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CC1)Oc1ncccc1[C@H]2N |r,wD:31.36,(-3.84,3.33,;-3.07,2,;-1.53,2,;-.76,.67,;-1.53,-.67,;-3.07,-.67,;-3.84,-2,;-3.07,-3.33,;-5.38,-2,;-3.84,.67,;-5.82,.67,;-6.59,-.67,;-8.13,-.67,;-8.9,.67,;-8.13,2,;-8.9,3.33,;-6.59,2,;-5.82,3.33,;.78,.67,;1.55,-.67,;3.09,-.67,;3.86,.67,;3.09,2,;1.55,2,;4.77,-.58,;6.23,-.1,;7.57,-.87,;8.9,-.1,;8.9,1.44,;7.57,2.21,;6.23,1.44,;4.77,1.91,;4,3.25,)|
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CC1)Oc1ncccc1[C@@H]2N |r,wU:31.36,(-3.84,3.33,;-3.07,2,;-1.53,2,;-.76,.67,;-1.53,-.67,;-3.07,-.67,;-3.84,-2,;-3.07,-3.33,;-5.38,-2,;-3.84,.67,;-5.82,.67,;-6.59,-.67,;-8.13,-.67,;-8.9,.67,;-8.13,2,;-8.9,3.33,;-6.59,2,;-5.82,3.33,;.78,.67,;1.55,-.67,;3.09,-.67,;3.86,.67,;3.09,2,;1.55,2,;4.77,-.58,;6.23,-.1,;7.57,-.87,;8.9,-.1,;8.9,1.44,;7.57,2.21,;6.23,1.44,;4.77,1.91,;4,3.25,)|
N[C@@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wD:1.0,(4,3.22,;4.77,1.89,;6.23,1.41,;7.57,2.18,;8.9,1.41,;8.9,-.13,;7.57,-.9,;6.23,-.13,;4.77,-.6,;3.86,.64,;3.09,-.69,;1.55,-.69,;.78,.64,;1.55,1.98,;3.09,1.98,;-.76,.64,;-1.53,1.98,;-3.07,1.98,;-3.84,3.31,;-3.84,.64,;-5.82,.64,;-6.59,-.69,;-8.13,-.69,;-8.9,.64,;-8.13,1.98,;-8.9,3.31,;-6.59,1.98,;-7.14,3.36,;-3.07,-.69,;-1.53,-.69,;-3.84,-2.02,;-3.07,-3.36,;-5.38,-2.02,)|
CN([C@H]1CCC[C@H]1N)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@@H]1CCC[C@H]1N)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@H]1CCC[C@@H]1N)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@@H]1CCC[C@@H]1N)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
N[C@@H]1CCCC[C@H]1Nc1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
N[C@H]1CCCC[C@@H]1Nc1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
N[C@@H]1CCCC[C@@H]1Nc1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@@H]1CCC[C@@H]1N)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CN([C@H]1CCC[C@H]1N)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CN([C@@H]1COC[C@@H]1N)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CN([C@H]1COC[C@H]1N)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CN([C@@H]1CCCC[C@@H]1N)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
NC[C@H]1CCCC[C@H]1Nc1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
NC[C@H]1CCCC[C@@H]1Nc1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
NC[C@@H]1CCCC[C@@H]1Nc1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
NC[C@@H]1CCCC[C@H]1Nc1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@H]1CCCC[C@@H]1N)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@H]1CCCC[C@H]1N)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@@H]1CCCC[C@@H]1N)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@@H]1CCCC[C@H]1N)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN(C[C@H]1CC[C@H](N)C1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@@H]1CCC[C@@H]1CN)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@H]1CCC[C@@H]1CN)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@H]1CCC[C@H]1CN)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@@H]1CCC[C@H]1CN)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@@H]1CCCC[C@@H]1N)c1cnc2c(n[nH]c2n1)-c1ccnc(Cl)c1F |r|
CN(C[C@@H]1CCC[C@H]1N)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CN(C[C@H]1CCC[C@@H]1N)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CN([C@H]1CCCC[C@H]1N)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CN([C@@H]1COCC[C@@H]1N)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CN([C@@H]1CCOC[C@@H]1N)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CN([C@H]1CCOC[C@H]1N)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CN([C@@H]1CCCC[C@H]1CN)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@H]1CCCC[C@H]1CN)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@H]1CCCC[C@@H]1CN)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@@H]1CCCC[C@@H]1CN)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|
CN([C@@H]1CCCC[C@@H]1N)c1cnc2c(Sc3ccccc3Cl)n[nH]c2n1 |r|
CN([C@@H]1CCCC[C@@H]1N)c1cnc2c(Sc3ccnc4[nH]ccc34)n[nH]c2n1 |r|
CN([C@H]1CCCC[C@H]1N)c1cnc2c(Oc3ccnc(Cl)c3Cl)n[nH]c2n1 |r|
CN([C@@H]1CCCC[C@@H]1N)c1cnc2c(Oc3ccnc(Cl)c3Cl)n[nH]c2n1 |r|
CN([C@@H]1CCCC[C@@H]1N)c1cnc2c(n[nH]c2n1)N1CCc2c1cccc2C(N)=O |r|
CC1(N)CCN(CC1)c1cc(=O)n(c(N)n1)-c1cccc(Cl)c1Cl |(38.51,-10.65,;36.97,-10.65,;37.74,-11.99,;35.64,-11.42,;34.31,-10.66,;34.31,-9.12,;35.63,-8.34,;36.97,-9.11,;32.97,-8.35,;32.96,-6.8,;31.63,-6.04,;31.63,-4.5,;30.31,-6.81,;30.31,-8.35,;28.97,-9.12,;31.64,-9.12,;28.98,-6.05,;27.64,-6.82,;26.31,-6.05,;26.31,-4.5,;27.64,-3.73,;27.63,-2.19,;28.97,-4.5,;30.3,-3.72,)|
C[C@H]1[C@H](C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N
C[C@H]1[C@H](C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)C1=CC[C@@](C)(N)CC1 |r,wU:19.21,wD:19.22,t:18,(-1.99,-2.67,;-1.22,-1.33,;.32,-1.33,;1.09,,;.32,1.33,;-1.22,1.33,;-1.99,2.67,;-1.99,,;-3.96,,;-4.73,1.33,;-6.27,1.33,;-7.04,,;-6.27,-1.33,;-7.04,-2.67,;-4.73,-1.33,;-3.96,-2.67,;2.63,,;3.4,-1.33,;4.94,-1.33,;5.71,,;7.04,.77,;7.04,-.77,;4.94,1.33,;3.4,1.33,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)C1=CC[C@](C)(N)CC1 |r,wU:19.22,wD:19.21,t:18,(-1.99,-2.67,;-1.22,-1.33,;.32,-1.33,;1.09,,;.32,1.33,;-1.22,1.33,;-1.99,2.67,;-1.99,,;-3.96,,;-4.73,-1.33,;-6.27,-1.33,;-7.04,,;-6.27,1.33,;-7.04,2.67,;-4.73,1.33,;-3.96,2.67,;2.63,,;3.4,-1.33,;4.94,-1.33,;5.71,,;7.04,.77,;7.04,-.77,;4.94,1.33,;3.4,1.33,)|
N[C@H]1CC(F)(F)CC11CCN(CC1)c1cc(=O)n(c(N)n1)-c1cccc(Cl)c1Cl |r,wD:1.0,(-4.66,2.69,;-5.14,1.22,;-6.6,.75,;-6.6,-.79,;-8.09,-.39,;-7,-2.28,;-5.14,-1.27,;-4.23,-.02,;-3.46,-1.36,;-1.92,-1.36,;-1.15,-.02,;-1.92,1.31,;-3.46,1.31,;.39,-.02,;1.16,1.31,;2.7,1.31,;3.47,2.65,;3.47,-.02,;2.7,-1.36,;3.47,-2.69,;1.16,-1.36,;5.01,-.02,;5.78,-1.36,;7.32,-1.36,;8.09,-.02,;7.32,1.31,;8.09,2.65,;5.78,1.31,;5.01,2.65,)|
C[C@@H]1OC[C@]2(CCN(CC2)c2cc(=O)n(-c3cccc(Cl)c3Cl)c(n2)C(F)F)[C@@H]1N |r,wU:4.3,wD:28.32,1.0,(-7.97,-1.01,;-6.72,-.1,;-6.72,1.44,;-5.26,1.91,;-4.35,.67,;-3.58,2,;-2.04,2,;-1.27,.67,;-2.04,-.67,;-3.58,-.67,;.27,.67,;1.04,2,;2.58,2,;3.35,3.33,;3.35,.67,;4.89,.67,;5.66,-.67,;7.2,-.67,;7.97,.67,;7.2,2,;7.97,3.33,;5.66,2,;4.89,3.33,;2.58,-.67,;1.04,-.67,;3.35,-2,;2.58,-3.33,;4.89,-2,;-5.26,-.58,;-4.78,-2.04,)|
C[C@@H]1OC[C@]2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wD:4.3,27.31,1.0,(-7.97,-1.65,;-6.72,-.75,;-6.72,.79,;-5.26,1.27,;-4.35,.02,;-3.58,-1.31,;-2.04,-1.31,;-1.27,.02,;-2.04,1.36,;-3.58,1.36,;.27,.02,;1.04,-1.31,;2.58,-1.31,;3.35,-2.65,;3.35,.02,;4.89,.02,;5.66,-1.31,;7.2,-1.31,;7.97,.02,;7.2,1.36,;7.97,2.69,;5.66,1.36,;4.89,2.69,;2.58,1.36,;3.35,2.69,;1.04,1.36,;.27,2.69,;-5.26,-1.22,;-4.78,-2.69,)|
C[C@@H]1OC[C@]2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wU:4.3,wD:27.31,1.0,(-7.97,-1.65,;-6.72,-.75,;-6.72,.79,;-5.26,1.27,;-4.35,.02,;-3.58,1.36,;-2.04,1.36,;-1.27,.02,;-2.04,-1.31,;-3.58,-1.31,;.27,.02,;1.04,-1.31,;2.58,-1.31,;3.35,-2.65,;3.35,.02,;4.89,.02,;5.66,-1.31,;7.2,-1.31,;7.97,.02,;7.2,1.36,;7.97,2.69,;5.66,1.36,;4.89,2.69,;2.58,1.36,;3.35,2.69,;1.04,1.36,;.27,2.69,;-5.26,-1.22,;-4.78,-2.69,)|
Cc1nc(N2C[C@H]3CCC[C@@]3(CN)C2)c(c(=O)n1-c1cccc(Cl)c1Cl)C(F)(F)F |r,wU:6.5,wD:10.11,(-2.21,-3.13,;-1.44,-1.79,;.1,-1.79,;.87,-.46,;2.41,-.46,;3.32,.79,;4.78,.31,;6.25,.79,;7.15,-.46,;6.25,-1.71,;4.78,-1.23,;4.78,-2.77,;6.12,-3.54,;3.32,-1.71,;.1,.87,;-1.44,.87,;-2.21,2.21,;-2.21,-.46,;-4.07,-.46,;-4.84,.87,;-6.38,.87,;-7.15,-.46,;-6.38,-1.79,;-7.15,-3.13,;-4.84,-1.79,;-4.07,-3.13,;.87,2.21,;1.64,3.54,;-.46,2.98,;2.21,1.44,)|
C[C@@H]1OC[C@]2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2c(F)ccc(Cl)c2Cl)[C@@H]1N |r,wD:4.3,27.31,1.0,(-7.97,-1.65,;-6.72,-.75,;-6.72,.79,;-5.26,1.27,;-4.35,.02,;-3.58,-1.31,;-2.04,-1.31,;-1.27,.02,;-2.04,1.36,;-3.58,1.36,;.27,.02,;1.04,1.36,;2.58,1.36,;3.35,2.69,;3.35,.02,;2.58,-1.31,;3.35,-2.65,;1.04,-1.31,;4.89,.02,;5.66,-1.31,;4.89,-2.65,;7.2,-1.31,;7.97,.02,;7.2,1.36,;7.97,2.69,;5.66,1.36,;4.89,2.69,;-5.26,-1.22,;-4.78,-2.69,)|
C[C@@H]1OC[C@]2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2c(F)ccc(Cl)c2Cl)[C@@H]1N |r,wU:4.3,wD:27.31,1.0,(-7.97,-1.65,;-6.72,-.75,;-6.72,.79,;-5.26,1.27,;-4.35,.02,;-3.58,1.36,;-2.04,1.36,;-1.27,.02,;-2.04,-1.31,;-3.58,-1.31,;.27,.02,;1.04,1.36,;2.58,1.36,;3.35,2.69,;3.35,.02,;2.58,-1.31,;3.35,-2.65,;1.04,-1.31,;4.89,.02,;5.66,-1.31,;4.89,-2.65,;7.2,-1.31,;7.97,.02,;7.2,1.36,;7.97,2.69,;5.66,1.36,;4.89,2.69,;-5.26,-1.22,;-4.78,-2.69,)|
C[C@@H]1OC[C@]2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)n2)[C@@H]1N |r,wD:4.3,26.30,1.0,(-7.97,-1.65,;-6.72,-.75,;-6.72,.79,;-5.26,1.27,;-4.35,.02,;-3.58,-1.31,;-2.04,-1.31,;-1.27,.02,;-2.04,1.36,;-3.58,1.36,;.27,.02,;1.04,-1.31,;2.58,-1.31,;3.35,-2.65,;3.35,.02,;4.89,.02,;5.66,-1.31,;7.2,-1.31,;7.97,.02,;7.2,1.36,;7.97,2.69,;5.66,1.36,;4.89,2.69,;2.58,1.36,;3.35,2.69,;1.04,1.36,;-5.26,-1.22,;-4.78,-2.69,)|
C[C@@H]1OC[C@]2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)n2)[C@@H]1N |r,wU:4.3,wD:26.30,1.0,(-7.97,-1.65,;-6.72,-.75,;-6.72,.79,;-5.26,1.27,;-4.35,.02,;-3.58,1.36,;-2.04,1.36,;-1.27,.02,;-2.04,-1.31,;-3.58,-1.31,;.27,.02,;1.04,-1.31,;2.58,-1.31,;3.35,-2.65,;3.35,.02,;4.89,.02,;5.66,-1.31,;7.2,-1.31,;7.97,.02,;7.2,1.36,;7.97,2.69,;5.66,1.36,;4.89,2.69,;2.58,1.36,;3.35,2.69,;1.04,1.36,;-5.26,-1.22,;-4.78,-2.69,)|
CC1(CN)CCN(CC1)c1cc(=O)n(cn1)-c1cccc(c1Cl)C(F)(F)F
CC(C)c1c(nc(C)n(-c2cccc(Cl)c2Cl)c1=O)N1CC[C@]2(CO[C@@H](C)[C@H]2N)CC1 |r,wD:22.24,27.30,25.27,(1.04,3.36,;.27,2.02,;-1.27,2.02,;1.04,.69,;.27,-.65,;1.04,-1.98,;2.58,-1.98,;3.35,-3.31,;3.35,-.65,;4.89,-.65,;5.66,-1.98,;7.2,-1.98,;7.97,-.65,;7.2,.69,;7.97,2.02,;5.66,.69,;4.89,2.02,;2.58,.69,;3.35,2.02,;-1.27,-.65,;-2.04,-1.98,;-3.58,-1.98,;-4.35,-.65,;-5.26,.6,;-6.72,.12,;-6.72,-1.42,;-7.97,-2.32,;-5.26,-1.89,;-4.78,-3.36,;-3.58,.69,;-2.04,.69,)|
CC(C)c1c(nc(C)n(-c2cccc(Cl)c2Cl)c1=O)N1CC[C@]2(CO[C@@H](C)[C@H]2N)CC1 |r,wU:22.24,wD:27.30,25.27,(1.04,3.36,;.27,2.02,;-1.27,2.02,;1.04,.69,;.27,-.65,;1.04,-1.98,;2.58,-1.98,;3.35,-3.31,;3.35,-.65,;4.89,-.65,;5.66,-1.98,;7.2,-1.98,;7.97,-.65,;7.2,.69,;7.97,2.02,;5.66,.69,;4.89,2.02,;2.58,.69,;3.35,2.02,;-1.27,-.65,;-2.04,.69,;-3.58,.69,;-4.35,-.65,;-5.26,.6,;-6.72,.12,;-6.72,-1.42,;-7.97,-2.32,;-5.26,-1.89,;-4.78,-3.36,;-3.58,-1.98,;-2.04,-1.98,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC[C@](N)(CC(F)F)CC1 |r,wU:20.22,wD:20.23,(-3.27,2.65,;-2.5,1.32,;-.96,1.31,;-.2,-.03,;-.98,-1.36,;-2.52,-1.35,;-3.29,-2.68,;-3.28,-.01,;-5.07,-0,;-5.85,-1.33,;-7.39,-1.33,;-8.15,.01,;-7.38,1.34,;-8.14,2.68,;-5.84,1.33,;-5.06,2.66,;1.34,-.22,;1.92,1.22,;3.39,1.67,;4.66,.8,;4.78,-.73,;5.55,-2.07,;6.27,-.33,;6.66,1.15,;5.58,2.24,;8.15,1.55,;3.65,-1.78,;2.13,-1.55,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC[C@@](N)(CC(F)F)CC1 |r,wU:20.23,wD:20.22,(-3.26,2.67,;-2.5,1.33,;-.96,1.32,;-.19,-.02,;-.97,-1.35,;-2.51,-1.34,;-3.29,-2.67,;-3.27,,;-5.07,.01,;-5.83,1.35,;-7.37,1.35,;-8.15,.03,;-7.38,-1.31,;-8.16,-2.64,;-5.84,-1.32,;-5.08,-2.66,;1.35,-.2,;1.93,1.23,;3.4,1.68,;4.67,.81,;4.79,-.72,;5.56,-2.05,;6.27,-.32,;6.67,1.17,;5.58,2.25,;8.16,1.56,;3.66,-1.77,;2.13,-1.54,)|
C[C@@H]1OC[C@]2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wD:4.3,27.31,1.0,(-8.04,-1.01,;-6.79,-.1,;-6.79,1.44,;-5.33,1.91,;-4.42,.67,;-3.65,-.67,;-2.11,-.67,;-1.34,.67,;-2.11,2,;-3.65,2,;.2,.67,;.97,2,;2.51,2,;3.28,3.33,;3.28,.67,;4.96,.67,;5.73,-.67,;7.27,-.67,;8.04,.67,;7.27,2,;8.04,3.33,;5.73,2,;4.96,3.33,;2.51,-.67,;3.28,-2,;.97,-.67,;.2,-2,;-5.33,-.58,;-4.85,-2.04,)|
C[C@@H]1OC[C@]2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wU:4.3,wD:27.31,1.0,(-8.09,-1.01,;-6.85,-.1,;-6.85,1.44,;-5.38,1.91,;-4.48,.67,;-3.71,2,;-2.17,2,;-1.4,.67,;-2.17,-.67,;-3.71,-.67,;.14,.67,;.91,2,;2.45,2,;3.22,3.33,;3.22,.67,;5.01,.67,;5.78,-.67,;7.32,-.67,;8.09,.67,;7.32,2,;8.09,3.33,;5.78,2,;5.01,3.33,;2.45,-.67,;3.22,-2,;.91,-.67,;.14,-2,;-5.38,-.58,;-4.91,-2.04,)|
CN([C@H]1CC[C@](C)(N)CC1)c1cc(=O)n(c(C)n1)-c1cccc(Cl)c1Cl |r,wU:2.1,5.5,wD:5.6,(2.8,3.12,;2.4,1.63,;3.49,.54,;4.98,.94,;6.07,-.15,;5.67,-1.63,;6.07,-3.12,;7.21,-1.63,;4.18,-2.03,;3.09,-.94,;.92,1.23,;.52,-.25,;-.97,-.65,;-1.37,-2.14,;-2.06,.44,;-1.66,1.93,;-2.75,3.01,;-.17,2.32,;-3.55,.04,;-3.94,-1.45,;-5.43,-1.85,;-6.52,-.76,;-6.12,.73,;-7.21,1.82,;-4.63,1.13,;-4.24,2.62,)|
CN([C@H]1CC[C@@](C)(N)CC1)c1cc(=O)n(c(C)n1)-c1cccc(Cl)c1Cl |r,wU:2.1,5.6,wD:5.5,(3.23,2.98,;2.62,1.57,;3.54,.33,;5.07,.51,;5.99,-.73,;5.38,-2.14,;5.38,-3.68,;6.87,-2.54,;3.85,-2.32,;2.93,-1.08,;1.09,1.39,;.48,-.03,;-1.05,-.2,;-1.66,-1.62,;-1.97,1.03,;-1.36,2.44,;-2.28,3.68,;.17,2.62,;-3.5,.85,;-4.11,-.56,;-5.64,-.74,;-6.56,.49,;-5.95,1.91,;-6.87,3.14,;-4.42,2.09,;-3.81,3.5,)|
COc1c(nc(C)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CO[C@H](C)[C@H]2N)CC1 |r,wU:24.26,wD:26.29,(-1.04,-3.36,;-.27,-2.02,;-1.04,-.69,;-.27,.64,;-1.04,1.98,;-2.58,1.98,;-3.35,3.31,;-3.35,.64,;-4.89,.64,;-5.66,1.97,;-7.2,1.97,;-7.97,.64,;-7.2,-.69,;-7.97,-2.03,;-5.66,-.69,;-4.89,-2.03,;-2.58,-.69,;-3.35,-2.03,;1.27,.64,;2.04,-.69,;3.58,-.69,;4.35,.65,;5.26,-.6,;6.72,-.12,;6.72,1.42,;7.97,2.32,;5.26,1.89,;4.78,3.36,;3.58,1.98,;2.04,1.98,)|
Cc1nc(N2CC[C@]3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:7.7,15.17,(-4.02,2.61,;-3.25,1.28,;-1.71,1.28,;-.94,-.05,;.6,-.05,;1.37,1.28,;2.91,1.28,;3.69,-.02,;4.75,-1.14,;6.14,-.48,;7.56,-1.08,;8.79,-.14,;8.59,1.38,;7.17,1.98,;5.94,1.04,;4.43,1.33,;3.77,2.72,;2.91,-1.38,;1.37,-1.38,;-1.71,-1.39,;-.94,-2.72,;-3.25,-1.39,;-4.02,-2.72,;-4.02,-.05,;-5.7,-.06,;-6.47,-1.39,;-8.01,-1.39,;-8.78,-.06,;-8.01,1.28,;-8.79,2.61,;-6.47,1.28,;-5.71,2.61,)|
Cc1nc(N2CC[C@]3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:7.7,wD:15.17,(-4.06,2.64,;-3.29,1.31,;-1.75,1.31,;-.98,-.02,;.56,-.02,;1.33,-1.35,;2.87,-1.35,;3.64,-.02,;4.55,-1.26,;6.01,-.79,;7.34,-1.56,;8.68,-.79,;8.68,.75,;7.34,1.52,;6.01,.75,;4.55,1.23,;4.07,2.69,;2.87,1.32,;1.33,1.31,;-1.75,-1.35,;-.98,-2.69,;-3.29,-1.36,;-4.06,-2.69,;-4.06,-.02,;-5.6,-.02,;-6.37,1.31,;-7.91,1.31,;-8.68,-.03,;-7.91,-1.36,;-8.68,-2.69,;-6.37,-1.36,;-5.6,-2.69,)|
Cc1nc(N2CC[C@]3(Cc4ccccc4[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:15.17,wD:7.7,(-4.01,2.64,;-3.23,1.31,;-1.69,1.31,;-.92,-.02,;.62,-.02,;1.39,1.31,;2.93,1.31,;3.7,-.02,;4.6,-1.26,;6.07,-.79,;7.4,-1.56,;8.73,-.79,;8.73,.75,;7.4,1.52,;6.07,.75,;4.6,1.23,;4.13,2.69,;2.93,-1.35,;1.39,-1.35,;-1.69,-1.36,;-.92,-2.69,;-3.23,-1.36,;-4,-2.69,;-4,-.02,;-5.65,-.03,;-6.42,-1.36,;-7.96,-1.36,;-8.73,-.03,;-7.96,1.31,;-8.73,2.64,;-6.42,1.31,;-5.65,2.64,)|
Cc1nc(N2CC[C@]3(Cc4ccccc4[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:7.7,15.17,(-4.01,2.64,;-3.24,1.31,;-1.7,1.31,;-.92,-.02,;.62,-.02,;1.39,-1.35,;2.93,-1.35,;3.7,-.02,;4.6,-1.26,;6.07,-.79,;7.4,-1.56,;8.73,-.79,;8.73,.75,;7.4,1.52,;6.07,.75,;4.6,1.23,;4.12,2.69,;2.92,1.32,;1.38,1.31,;-1.69,-1.35,;-.92,-2.69,;-3.23,-1.36,;-4,-2.69,;-4,-.02,;-5.65,-.02,;-6.42,1.31,;-7.96,1.31,;-8.73,-.03,;-7.96,-1.36,;-8.73,-2.69,;-6.42,-1.36,;-5.65,-2.69,)|
Cc1nc(N2CCC3(CC2)[C@H](N)Cc2cccnc32)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:10.11,(-3.3,3.14,;-2.53,1.81,;-.99,1.81,;-.22,.48,;1.32,.48,;2.09,-.86,;3.63,-.85,;4.4,.48,;3.63,1.81,;2.09,1.81,;5.1,1.64,;4.45,3.03,;6.62,1.35,;6.77,-.07,;8.03,-.95,;7.9,-2.49,;6.5,-3.14,;5.24,-2.26,;5.37,-.73,;-.99,-.86,;-.22,-2.19,;-2.53,-.86,;-3.3,-2.19,;-3.3,.47,;-4.95,.47,;-5.72,-.86,;-7.26,-.86,;-8.03,.47,;-7.26,1.81,;-8.03,3.14,;-5.72,1.81,;-4.95,3.14,)|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(C)n(-c2cccc(Cl)c2Cl)c(=O)c1C |r,wD:3.3,1.0,(8.02,-1.69,;6.78,-.79,;6.78,.75,;5.31,1.23,;4.84,2.69,;4.41,-.02,;5.31,-1.26,;3.64,-1.35,;2.1,-1.35,;1.33,-.02,;2.1,1.31,;3.64,1.31,;-.21,-.02,;-.98,1.31,;-2.52,1.31,;-3.3,2.64,;-3.29,-.02,;-4.94,-.03,;-5.71,-1.36,;-7.25,-1.36,;-8.02,-.03,;-7.25,1.31,;-8.02,2.64,;-5.71,1.31,;-4.94,2.64,;-2.52,-1.36,;-3.29,-2.69,;-.98,-1.36,;-.21,-2.69,)|
Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CC[C@]2(CCC[C@@H]2N)CC1 |r,wU:20.22,24.27,(.28,-2.77,;-.39,-1.39,;.48,-.11,;-.2,1.27,;-1.73,1.39,;-2.4,2.77,;-2.6,.11,;-4.24,.23,;-4.91,1.61,;-6.45,1.72,;-7.31,.45,;-6.64,-.94,;-7.5,-2.21,;-5.1,-1.05,;-4.43,-2.43,;-1.92,-1.27,;-2.79,-2.55,;2.01,-.22,;2.68,-1.61,;4.22,-1.72,;5.08,-.44,;5.9,-1.75,;7.39,-1.38,;7.5,.15,;6.08,.74,;5.71,2.23,;4.41,.94,;2.88,1.05,)|
Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CC[C@]2(CCC[C@H]2N)CC1 |r,wD:20.22,24.27,(.28,-2.77,;-.39,-1.39,;.48,-.11,;-.2,1.27,;-1.73,1.39,;-2.4,2.77,;-2.6,.11,;-4.24,.23,;-4.91,1.61,;-6.45,1.72,;-7.31,.45,;-6.64,-.94,;-7.5,-2.21,;-5.1,-1.05,;-4.43,-2.43,;-1.92,-1.27,;-2.79,-2.55,;2.01,-.22,;2.88,1.05,;4.41,.94,;5.08,-.44,;5.9,-1.75,;7.39,-1.38,;7.5,.15,;6.08,.74,;5.71,2.23,;4.22,-1.72,;2.68,-1.61,)|
Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CC[C@]2(CCC[C@@H]2N)CC1 |r,wU:24.27,wD:20.22,(.19,-2.94,;-.48,-1.56,;.38,-.28,;-.29,1.11,;-1.83,1.22,;-2.5,2.6,;-2.69,-.06,;-4.34,.06,;-5.2,-1.22,;-6.74,-1.11,;-7.41,.28,;-6.54,1.56,;-7.22,2.94,;-5.01,1.44,;-4.14,2.72,;-2.02,-1.44,;-2.88,-2.72,;1.92,-.39,;2.78,.88,;4.32,.77,;4.99,-.61,;5.8,-1.92,;7.3,-1.55,;7.41,-.02,;5.98,.57,;5.61,2.06,;4.12,-1.89,;2.59,-1.78,)|
Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CC[C@]2(CCC[C@H]2N)CC1 |r,wU:20.22,wD:24.27,(.42,-2.69,;-.35,-1.36,;.41,-.03,;-.36,1.3,;-1.9,1.3,;-2.68,2.63,;-2.67,-.04,;-4.31,-.04,;-5.08,-1.38,;-6.62,-1.39,;-7.39,-.06,;-6.63,1.28,;-7.41,2.61,;-5.09,1.29,;-4.33,2.62,;-1.89,-1.37,;-2.66,-2.71,;1.95,-.02,;2.73,-1.35,;4.27,-1.34,;5.03,-.01,;5.94,-1.25,;7.41,-.77,;7.4,.77,;5.93,1.24,;5.45,2.71,;4.26,1.32,;2.72,1.32,)|
Cc1nc(N2CC[C@@]3(CC2)Oc2cnccc2[C@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:7.10,wD:17.20,(-3.73,2.77,;-3.06,1.39,;-1.53,1.27,;-.85,-.11,;.68,-.22,;1.35,-1.61,;2.89,-1.72,;3.75,-.44,;3.08,.94,;1.55,1.05,;4.57,-1.75,;6.06,-1.38,;7.34,-2.25,;8.72,-1.57,;8.83,-.04,;7.56,.83,;6.17,.15,;4.75,.74,;4.38,2.23,;-1.72,-1.39,;-1.05,-2.77,;-3.25,-1.27,;-4.12,-2.55,;-3.93,.11,;-5.57,.23,;-6.24,1.61,;-7.78,1.72,;-8.64,.45,;-7.97,-.94,;-8.83,-2.21,;-6.43,-1.05,;-5.76,-2.43,)|
Cc1nc(N2CC[C@@]3(CC2)Oc2cnccc2[C@@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:7.10,17.20,(-4.01,2.64,;-3.24,1.31,;-1.7,1.31,;-.92,-.02,;.62,-.02,;1.39,-1.35,;2.93,-1.35,;3.7,-.01,;2.92,1.32,;1.38,1.32,;4.6,-1.26,;6.07,-.78,;7.4,-1.55,;8.73,-.78,;8.73,.76,;7.4,1.53,;6.06,.76,;4.6,1.23,;4.12,2.7,;-1.69,-1.35,;-.92,-2.69,;-3.23,-1.36,;-4,-2.69,;-4,-.02,;-5.65,-.03,;-6.42,1.31,;-7.96,1.3,;-8.73,-.03,;-7.96,-1.36,;-8.73,-2.7,;-6.42,-1.36,;-5.65,-2.69,)|
Cc1nc(N2CC[C@@]3(CC2)Oc2cnccc2[C@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:7.10,17.20,(-4.01,2.64,;-3.23,1.31,;-1.69,1.31,;-.92,-.02,;.62,-.02,;1.39,1.31,;2.93,1.32,;3.7,-.02,;2.93,-1.35,;1.39,-1.35,;4.6,-1.26,;6.07,-.78,;7.4,-1.55,;8.73,-.78,;8.73,.76,;7.4,1.53,;6.07,.76,;4.6,1.23,;4.12,2.69,;-1.69,-1.36,;-.92,-2.69,;-3.23,-1.36,;-4,-2.69,;-4,-.03,;-5.65,-.03,;-6.42,-1.36,;-7.96,-1.37,;-8.73,-.03,;-7.96,1.3,;-8.73,2.63,;-6.42,1.3,;-5.65,2.64,)|
Cc1nc(N2CC[C@@]3(CC2)Oc2cnccc2[C@@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:17.20,wD:7.10,(-4.01,2.64,;-3.23,1.31,;-1.69,1.31,;-.92,-.02,;.62,-.02,;1.39,1.31,;2.93,1.32,;3.7,-.02,;2.93,-1.35,;1.39,-1.35,;4.6,-1.26,;6.07,-.78,;7.4,-1.55,;8.73,-.78,;8.73,.76,;7.4,1.53,;6.07,.76,;4.6,1.23,;4.12,2.69,;-1.69,-1.36,;-.92,-2.69,;-3.23,-1.36,;-4,-2.69,;-4,-.03,;-5.65,-.03,;-6.42,-1.36,;-7.96,-1.37,;-8.73,-.03,;-7.96,1.3,;-8.73,2.63,;-6.42,1.3,;-5.65,2.64,)|
Cc1c(N[C@@H]2CC[C@H](N)CC2)ncn(-c2cccc(Cl)c2Cl)c1=O |r,wD:4.3,7.7,(1.53,-.82,;.66,.45,;1.32,1.84,;2.85,1.96,;3.73,.7,;5.26,.82,;6.14,-.45,;5.48,-1.84,;6.36,-3.1,;3.95,-1.96,;3.07,-.7,;.44,3.1,;-1.09,2.98,;-1.75,1.59,;-3.29,1.46,;-4.16,2.73,;-5.7,2.6,;-6.36,1.21,;-5.48,-.05,;-6.14,-1.45,;-3.95,.07,;-3.07,-1.2,;-.88,.32,;-1.53,-1.07,)|
Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CC(CN)C(C)(C)C1 |(.57,-2.67,;-.2,-1.33,;.57,,;-.2,1.33,;-1.74,1.33,;-2.51,2.67,;-2.51,,;-4.05,,;-4.82,1.33,;-6.36,1.33,;-7.13,,;-6.36,-1.33,;-7.13,-2.67,;-4.82,-1.33,;-4.05,-2.67,;-1.74,-1.33,;-2.51,-2.67,;2.11,,;3.01,-1.25,;4.48,-.77,;5.72,-1.68,;7.13,-1.05,;4.48,.77,;6.02,.84,;5.25,2.1,;3.01,1.25,)|
Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(C#N)c1Cl |r,wU:15.17,(3.53,-2.02,;2.76,-.69,;1.22,-.69,;.45,.65,;-1.09,.65,;-1.86,1.98,;-3.4,1.98,;-4.17,.65,;-5.08,-.6,;-6.54,-.12,;-7.87,-.89,;-9.21,-.12,;-9.21,1.42,;-7.87,2.19,;-6.54,1.42,;-5.08,1.89,;-4.6,3.36,;-3.4,-.69,;-1.86,-.69,;1.22,1.98,;.45,3.31,;2.76,1.98,;3.53,3.31,;3.53,.65,;5.36,.65,;6.13,1.98,;7.67,1.98,;8.44,.65,;7.67,-.69,;8.44,-2.02,;9.21,-3.36,;6.13,-.69,;5.36,-2.02,)|
N[C@@H]1CCCC11CCN(CC1)c1ncc(nc1CO)-c1ccnc(Cl)c1Cl |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(nc1CO)-c1cccc(Cl)c1Cl |r|
CC1(N)CCN(CC1)c1ncc(nc1CO)-c1cccc(Cl)c1Cl
CC1(N)CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)nc1CO
C[C@@H]1OCC2(CCN(CC2)c2ccc(Sc3ccnc(N)c3Cl)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2c3OCOc3cc(Cl)c2Cl)[C@@H]1N |r|
COc1ccc(Cl)c(Cl)c1-c1cnc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c(CO)n1 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2c(O)ccc(Cl)c2Cl)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2ccc3nccnc3c2Cl)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2ccc3CCOc3c2Cl)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2cccc3cc[nH]c23)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2ccc3nccnc3c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2cc(Cl)c3cn[nH]c3c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2cc3[nH]ncc3cc2Cl)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2cc3ccccc3n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2ccc3CCCOc3c2Cl)[C@@H]1N |r|
COc1ccc(F)c(c1Cl)-c1cnc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c(CO)n1 |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2c(Cl)ccc(Cl)c2Cl)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2ccc3cn[nH]c3c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2ccc3[nH]ncc3c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(C#N)c3Cl)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(C#N)c3Cl)nc2CO)[C@@H]1N |r|
COc1nccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c(CO)n2)c1Cl |r|
COc1cccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c(CO)n2)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N4CC(C4)S(C)(=O)=O)c3Cl)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(NC4CCOCC4)c3Cl)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(C(=O)N(C)C)c3Cl)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N4CC(O)C4)c3Cl)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)nc2CO)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)ncc3Cl)nc2CO)[C@@H]1N |r|
N[C@@H]1CCCC11CCN(CC1)c1ncc(nc1C(F)F)-c1cccc(Cl)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(nc2C(F)F)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c2cncn2c1-c1cccc(Cl)c1Cl |r,wD:11.12,(9.5,-35.4,;9.5,-36.94,;10.84,-37.71,;10.84,-39.26,;12.18,-40.03,;12.17,-41.57,;13.5,-42.34,;14.84,-41.58,;15.24,-43.06,;16.78,-43.14,;17.33,-41.71,;16.13,-40.74,;16.22,-39.2,;14.84,-40.03,;13.51,-39.25,;9.51,-40.03,;9.19,-41.55,;7.65,-41.71,;7.02,-40.3,;8.16,-39.26,;8.17,-37.71,;6.84,-36.94,;5.51,-37.71,;4.18,-36.95,;4.17,-35.4,;5.51,-34.63,;5.51,-33.09,;6.84,-35.4,;8.18,-34.63,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(Sc3ccnc(N)c3Cl)n3nccc23)[C@@H]1N
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(Sc3ccnc(N)c3Cl)n3ccnc23)[C@@H]1N
CC1(N)CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nsnc12
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)c3ncncc23)[C@@H]1N
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccnc(N)c1
COc1ccc(NCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)cc1OC
COc1cccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCNc1ccc(cc1)C(N)=O
COc1cc(N)cc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)c1
COc1cc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)ccn1
CC(=O)c1ccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)cc1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc(C(N)=O)c(F)c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1cccc(Cl)c1F
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc2C(=O)NCc2c1
COc1cccc(SCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc2C(=O)NCCc2c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCNC(=O)c1ccccc1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1cccc(c1)C#N
CC(=O)Nc1ccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)cc1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc(C(N)=O)c(Cl)c1
COc1ccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)cc1
CN(CC#Cc1cnc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(CO)n1)c1ccc(cc1)C(N)=O
COc1ccccc1OCC#Cc1cnc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(CO)n1
CP(C)(=O)c1ccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)cc1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc2cn[nH]c2c1
COc1ccc2CC3(CCN(CC3)c3ncc(nc3CO)C#CCOc3ccc(cc3)C(N)=O)[C@H](N)c2c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc(cc1)C#N
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1cccc(CC(N)=O)c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1cccc(c1)C(F)(F)F
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCNc1ncco1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1cccc(OC(F)(F)F)c1
Cn1nccc1NCC#Cc1cnc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(CO)n1
CC(=O)c1cccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc(cc1)C(N)=O
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc(nc1)C(F)(F)F
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCNc1ccccc1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCNc1ccc2CCC(=O)Nc2c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc(cc1)N1CCOCC1
N[C@@H]1c2ccccc2OC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc(cc1)C(N)=O
CC(=O)N1CCN(CC1)c1ccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)cc1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc2CNC(=O)c2c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc2CCC(=O)Nc2c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc2[nH]ncc2c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc2ccc(=O)[nH]c2c1
NNc1ncc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)cn1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc2CC(=O)Nc2c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc2oc(N)nc2c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1cccc(c1)C(N)=O
CC(O)c1ccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)cc1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc2OCOc2c1
CNC(=O)c1ccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)cc1
CN(CC#Cc1cnc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(CO)n1)c1ccc(cc1)S(N)(=O)=O
Cc1nc2cc(OCC#Cc3cnc(N4CCC5(Cc6ccccc6[C@H]5N)CC4)c(CO)n3)ccc2[nH]1
CC(=O)Nc1cccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)n(C)c2=O)c1
Cc1cc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)ccc1C(N)=O
CNC(=O)c1cccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc(O)cn1
CN(C)C(=O)c1cccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc(cc1)C(=O)NC1CC1
CS(=O)(=O)c1cccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)c1
Cn1nccc1Nc1ccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)cc1
CC(=O)Nc1cccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(n2)C(N)=O)c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1C(N)=O)C#CCOc1ccc(cc1)C(O)C(F)(F)F
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1C(N)=O)C#CCOc1ccc2CNC(=O)c2c1
CC1(N)CCN(CC1)c1nc(C(N)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(C(N)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
NC(=O)c1nc(nc2[nH]nc(-c3cccc(Cl)c3Cl)c12)N1CCC(N)(CC1)c1ccccc1
N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc(C(N)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r,THB:9:8:2.1.7:5.4|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(C(O)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
NC1(CCN(CC1)c1nc(C(O)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)c1ccccc1
NC(=O)c1nc(nc2[nH]nc(-c3cccc(Cl)c3Cl)c12)N1CCC(N)(CC1)c1c(F)cccc1F
CC1(N)CCN(CC1)c1nc(C(N)=O)c2c(n[nH]c2n1)-c1cccc(Br)c1Cl
NC(=O)c1nc(nc2[nH]nc(-c3cccc(Cl)c3Cl)c12)N1CCC(N)(CO)CC1
NC1CCN(CC1)c1nc(C(N)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
NC1CC2CCC(C1)N2c1nc(C(N)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
NC1(CCN(CC1)c1nc(C(O)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)c1ccccc1Cl
NC1(CCN(CC1)c1nc(C(O)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)c1ccc(Cl)cc1
NC1(CCN(CC1)c1nc(C(O)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)c1cccc(Cl)c1
NC(=O)c1nc(nc2[nH]nc(-c3ccnc(Cl)c3Cl)c12)N1CCC(N)(CC1)c1ccccc1
Cc1nccc(-c2n[nH]c3nc(nc(C(N)=O)c23)N2CCC(N)(CC2)c2ccccc2)c1Cl
NC1(CCN(CC1)c1nc(-c2nnn[nH]2)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)c1ccccc1
COc1nccc(-c2n[nH]c3nc(nc(C(N)=O)c23)N2CCC(N)(CC2)c2ccccc2F)c1Cl
NC(=O)c1nc(nc2[nH]nc(-c3cccc(Cl)c3Cl)c12)N1CCC(N)(CC1)c1ccccn1
COc1ccc(cc1)C1(N)CCN(CC1)c1nc(C(N)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
NC(=O)c1nc(nc2[nH]nc(-c3cccc(Cl)c3Cl)c12)N1CCC(N)(CC1)c1cccc(O)c1
NC(=O)c1nc(nc2[nH]cc(-c3cccc(Cl)c3Cl)c12)N1CCC(N)(CC1)c1ccccc1
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(N4CCCC4=O)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(Nc4cnccn4)c3Cl)cn2)[C@@H]1N |r,$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4ncco4)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(N4CCCC4)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4ccn(C)n4)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(c3Cl)-c3cnccn3)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(c3Cl)-c3cnccn3)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(c3Cl)-c3cnccn3)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(c3Cl)-c3ncccn3)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)c4cccc(F)c4Cl)c3Cl)cn2)[C@@H]1N |r,$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)c4c(O)nc5CCCCn5c4=O)c3Cl)cn2)[C@@H]1N |r,$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)c4ccn(C)n4)c3Cl)cn2)[C@@H]1N |r,$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;$|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)c4cc(F)c(F)cc4Cl)c3Cl)cn2)[C@@H]1N |r,$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;$|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4nc5ccccc5o4)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4nc(co4)C#N)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4scnc4C)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4nc(cs4)C#N)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4nc(C)cs4)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4nc(co4)C(N)=O)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4nc(co4)C(O)=O)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4ccc(o4)C#N)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)c4ccccc4C(O)=O)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4cnn5cccnc45)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4nc(C)co4)c3Cl)cn2)[C@@H]1N |r|
CCn1ccc(n1)-c1cccc(Sc2cnc(cn2)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(c3Cl)-c3cn4ccnc4cn3)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4cccs4)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(c3Cl)-c3cnc4ccnn4c3)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)c4cc5CCCCn5n4)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(N4C(=O)C5CC5C4=O)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(c3Cl)-c3ccn4nccc4n3)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4cscn4)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4nccs4)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)c4ncccn4)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)c4c(O)nc5ccccn5c4=O)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)c4ccccc4O)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)c4cc(Cl)ccc4O)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)c4cc5CCCn5n4)c3Cl)cn2)[C@@H]1N |r|
CCn1cc(cn1)-c1cccc(Sc2cnc(cn2)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(c3Cl)-c3cnc4[nH]ccc4n3)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4cnn(CCO)c4)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(Nc4ncccn4)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(Nc4cnn(C)c4)c3Cl)cn2)[C@@H]1N |r|
N[C@@H]1CCCC11CCN(CC1)c1cc(O)c(nc1CO)-c1cccc(Cl)c1Cl |r|
N[C@@H]1CCCC11CCN(CC1)c1cc(O)c(Sc2cccc(Cl)c2Cl)nc1CO |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc(c(O)c1)-c1cccc(Cl)c1Cl |r|
Cc1cc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1-c1cccc(Cl)c1Cl |r|
Cc1cc(cnc1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@H]2N)CC1 |r|
Cc1nc(N2CCC3C(C2)C3(CN)c2ccsc2)c(CO)nc1-c1cccc(Cl)c1Cl
NCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)c1cccnc1
Cc1ccccc1C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
Cc1ccccc1C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc2C=CCc12 |c:35|
Cc1ccccc1C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc2ncccc12
Cc1cc(on1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
NCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)c1cccc(F)c1
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc2ncccc12
NCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)c1ccc(F)cc1
NCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc2nccnc2c1)c1ccc(F)cc1
NCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc2cccnc12)c1ccc(F)cc1
Cn1cc(nn1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
Cc1conc1C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
Cc1conc1C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl
CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3C(C2)C3(CN)c2ccccc2F)c1Cl
CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3C(C2)C3(CN)c2cc(C)on2)c1Cl
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccnc2ccsc12
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc2C(=O)NCc12
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc2scnc2c1
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc(C)c2ncccc12
COc1ccc(-c2n[nH]c3nc(cnc23)N2CCC3C(C2)C3(CN)c2cc(C)on2)c2cccnc12
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc2cnccc12
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc2nc(C)ccc12
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc2nn(C)cc12
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccnc2ccccc12
COc1ncccc1-c1n[nH]c2nc(cnc12)N1CCC2C(C1)C2(CN)c1cc(C)on1
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccnc2N3CCC[C@H]3COc12 |r|
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc(F)c2ncccc12
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccnc(Cl)c1Cl
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc(C#N)c2ncccc12
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc(Cl)c2ncccc12
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc(Cl)c2cnccc12
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccnc2cccnc12
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2OC(F)(F)Oc2c1 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc2ncccc12 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc2ccc(F)cc12 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc2OCCOc12 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc2cccc(F)c12 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc2ccc(Cl)cc12 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(c2ncccc12)C(F)(F)F |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)c(Cl)c2c1Cl |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc2cc(F)ccc12 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
COCc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CCC2C(C1)C2(CN)c1cc(on1)C1CC1
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CCC2C(C1)C2(CN)c1ncccc1F
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CCC2C(C1)C2(CN)c1ccc(F)cn1
CN1C(=O)C(F)(F)c2c1cccc2-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1cc(C)on1 |r|
Cc1conc1C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc2onc(C)c2c1
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(Sc3ccnc(N)c3Cl)n[nH]c2n1
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(Sc3ccnc4ccsc34)n[nH]c2n1
NCC1(C2CCN(CC12)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1CO)c1cccc(F)c1
NCC1(C2CCN(CC12)c1nc2n(nc(-c3ccccc3)c2nc1CO)C1CCCCO1)c1cccc(F)c1
Cc1cc(no1)C1(CN)C2CCN(CC12)c1nc2[nH]nc(Sc3ccnc(N)c3Cl)c2nc1CO
Cc1cc(no1)C1(CN)C2CCN(CC12)c1nc2[nH]nc(-c3ccnc(N)c3Cl)c2nc1CO
NCC1(C2CCN(CC12)c1cc2nc(Sc3ccnc(N)c3Cl)cnc2[nH]1)c1ccccc1F
Cc1cc(no1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CCC2C(C1)C2(CN)c1cc(CO)on1
Cc1cc(no1)C1(CN)C2CCN(CC12)c1nc2[nH]nc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C
NCC1(C2CCN(CC12)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1)c1ccccc1
NCC1(C2CCN(CC12)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1)c1ccsc1
NCC1(C2CCN(CC12)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1)c1ccccn1
NCC1(C2CCN(CC12)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1)c1ncccn1
Cc1csc(n1)C1(CN)C2CCN(CC12)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1
NCC1C2CCN(CC12)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1
NCC1(C2CCN(CC12)c1nc2nc(Sc3ccnc(N)c3Cl)cnc2[nH]1)c1ccccc1
Cc1csc(n1)C1(CN)C2CCN(CC12)c1nc2nc(Sc3ccnc(N)c3Cl)cnc2[nH]1
NCC1(C2CCN(CC12)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1)c1ccccc1
NCC1(C2CCN(CC12)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1)c1ccccn1
Cc1coc(n1)C1(CN)C2CCN(CC12)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Cc1csc(n1)C1(CN)C2CCN(CC12)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
NCC1C2CCN(CC12)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
Cc1csc(n1)C1(CN)C2CCN(CC12)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12
Cc1csc(n1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
NCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)c1ccccc1
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CCC2C(C1)C2(CN)c1ccccc1
NCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)c1ccccn1
NCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)c1ncccn1
Cc1coc(n1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl
Cc1coc(n1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1
Cc1coc(n1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(F)c1F
COc1cccc(-c2n[nH]c3nc(cnc23)N2CCC3C(C2)C3(CN)c2nc(C)co2)c1Cl
Cc1coc(n1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc2ncccc12
Cc1csc(n1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc2ccccc12
Cc1csc(n1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccnc1C(F)(F)F
Cc1coc(n1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc2OCOc12
Cc1coc(n1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc(F)c2ncccc12
Cc1coc(n1)C1(CN)C2CCN(CC12)c1cnc2c(Oc3ccnc(N)c3Cl)n[nH]c2n1
NCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)c1ccsc1
NCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccnc(c1)C(F)(F)F)c1ccsc1
NCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccnc1C(F)(F)F)c1ccsc1
Cn1nccc1C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
Cn1ccc(n1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
NCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)c1ccon1
NCC1C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
Cc1csc(n1)C1(CN)C2CCN(CC12)c1nc2[nH]nc(-c3cccc4ncccc34)c2nc1CO
Cc1csc(n1)C1(CN)C2CCN(CC12)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1CO
Cc1csc(n1)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc(OS(F)(=O)=O)c2ccccc12
NC[C@]1([C@H]2CN(C[C@@H]12)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1)c1ccccc1 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl)c1ccccc1F |r|
Cc1c(ccc2nn(C)cc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1c(F)cccc1F |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)oc2c1Cl |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)c(C)c2c1Cl |r|
COc1n(C)nc2ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3cc(C)on3)c(Cl)c12 |r|
Cc1cc(no1)C1(CN)C2CCN(CC12)c1nc2[nH]nc(-c3ccc4nc(C)oc4c3Cl)c2nc1C
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc(-c2ncco2)c1Cl |r|
COc1cnc2ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3cc(C)on3)c(Cl)c2n1 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1coc2ncccc12 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc2c(F)cccc12 |r|
COc1ccc2ncccc2c1-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1cc(C)on1 |r,wU:24.27,25.29,27.33,(1.66,3.97,;2.75,2.88,;4.23,3.28,;4.63,4.77,;6.12,5.16,;7.21,4.08,;8.7,4.47,;9.79,3.39,;9.39,1.9,;7.9,1.5,;6.81,2.59,;5.32,2.19,;4.92,.7,;5.83,-.54,;4.92,-1.79,;3.46,-1.31,;2.13,-2.08,;.79,-1.31,;.79,.23,;2.13,1,;3.46,.23,;-.54,-2.08,;-.54,-3.62,;-1.87,-4.39,;-3.21,-3.62,;-3.21,-2.08,;-1.87,-1.31,;-4.54,-2.85,;-5.88,-3.62,;-5.88,-5.16,;-5.88,-2.08,;-7.34,-2.56,;-8.25,-1.31,;-9.79,-1.31,;-7.34,-.07,;-5.88,-.54,)|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccn2nccc12)c1c(F)cccc1F |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1c(F)cccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2ncoc2c1)c1ccccc1F |r|
COc1cnc2ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3ccccc3F)c(Cl)c2n1 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccc(F)cn1 |r|
Cc1nc2ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3ccc(F)cn3)c(Cl)c2o1 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc2NC(=O)Cc12)c1ccccc1F |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccon1 |r|
Cc1nc2ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3ccon3)c(Cl)c2o1 |r|
COc1cccc2c(ccnc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1cc(C)on1 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(OC(F)(F)F)c2ncccc12 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1C |r|
COCc1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2cc(C)on2)c2cccnc12 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccn2nccc12 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc(F)cc2ncccc12 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccn2nccc12)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc2c(F)cccc12)c1ccccc1F |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(C(F)F)c2ncccc12 |r|
CC(O)c1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2cc(C)on2)c2cccnc12 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1ncc(Oc2ccnc(N)c2Cl)n2cncc12)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1)c1ccccc1F |r|
CC(C)(O)c1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2cccnc12 |r|
CC(C)Oc1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2cccnc12 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(C2CC2)c2ncccc12)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccn2nccc12)c1ncccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2ncccc2c1)c1ccccc1F |r|
CC(O)c1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2cccnc12 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc2nccn12)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(OC(F)(F)F)c2ncccc12)c1ncccc1F |r|
Cc1c(ccc2nn(C)cc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
COc1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2cccnc12 |r|
COc1cc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2ccnn2c1 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cncc2ncccc12 |r|
COc1ccc2cc(ccc2n1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1cc(C)on1 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nc(ccc2c1)C(F)(F)F |r|
COc1ccc2cc(cnc2c1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1cc(C)on1 |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cnc2cc(ccc2c1)C(F)(F)F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1nccc2ncccc12)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc2OCCc12)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc2cnccc12)c1ccccc1F |r|
Cc1cc(no1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(c[nH]c2n1)-c1ccc(F)c2ncccc12 |r|
Cc1c(ccc2nn(C)cc12)-c1c[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc(-c2cnccn2)c1Cl)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(CO)c2ncccc12)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(OC(F)F)c2ncccc12)c1ccccc1F |r|
Cc1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2ccnn12 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc(Br)c1Cl)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(N)n1)c1ccccc1F |r|
CCOc1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2cccnc12 |r|
COC(C)c1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2cccnc12 |r|
COc1cccc2c(ccnc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nccnc2c1Cl)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc(-c2ncco2)c1Cl)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(-c2ncco2)c1Cl)c1ccccc1F |r|
Cc1cc2ncccc2cc1-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cc1c(ccc2ncccc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cc1cc(cc2cccnc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc(F)c2ncccc2c1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc2cccnc2cc1F)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccncc1Cl)c1ccccc1F |r|
Cc1c(ccc2nn(C)cc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1cccc(F)c1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl)c1cccc(F)c1F |r|
Cc1c(ccc2nn(C)cc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1Cl |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl)c1ccccc1Cl |r|
Cc1c(ccc2nn(C)cc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1C(F)(F)F |r|
COc1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2cccc(F)c2F)c2cccnc12 |r|
Cc1cccc(c1F)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1C |r|
Cc1c(ccc2nn(C)cc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ncc(cc1F)C1CC1 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc2occc12)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2NC(=O)Cc2c1)c1ccccc1F |r|
COc1cnc2ccc(cc2n1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cc1nccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c1Cl |r|
CN(C)c1nccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c1Cl |r|
COc1ccc2c(ccnc2c1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
CN(C)Cc1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2cccnc12 |r|
Cc1c(ccc2nonc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cn1cc2c(C3CC3)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cc1nccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2)c1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc(N)ncc1Cl)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(NC2CC2)c1Cl)c1ccccc1F |r|
Cn1c(cccc1=O)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cc1c(ccc2nn(C)cc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccc(F)cc1F |r|
COc1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccc(F)cc2F)c2cccnc12 |r|
COc1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2ccc(C)nc12 |r|
Cn1cc2c(C(F)F)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cc1c(ccc2n(C)nnc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cc1c(ccc2nn(C)nc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
CC1(C)C(=O)Nc2ccc(cc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2OCC(=O)Nc2c1Cl)c1ccccc1F |r|
CCn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc2c1cc[nH]c2=O)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc2[nH]c(=O)ccc12)c1ccccc1F |r|
Cc1c(ccn2cnnc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
CN(C)C(=O)c1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2cccnc12 |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(F)c2ncccc12 |r|
COc1ccc(nc1N)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cn1ccc(Oc2ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3ccccc3F)c(Cl)c2Cl)n1 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2NC(=O)Cc2c1Cl)c1ccccc1F |r|
CN1C(=O)Cc2cc(ccc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2C(=O)NCc2c1)c1ccccc1F |r|
COc1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2ccncc12 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(C(N)=O)c2ncccc12)c1ccccc1F |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1C[C@H]2[C@@H](C1)[C@]2(CN)c1c(F)cccc1F |r|
Cc1c(ccc2nccnc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
COC(=O)c1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c(Cl)c1 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cnc2ccccn12)c1ccccc1F |r|
COc1c(F)cc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2cccnc12 |r|
Cc1ccc2c(ccc(F)c2n1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(C(O)=O)c(Cl)c1Cl)c1ccccc1F |r|
CN1C(=O)COc2ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3ccccc3F)c(Cl)c12 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(cc2c1Cl)C1COC1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2CCC(=O)Nc2c1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2ccc(=O)[nH]c2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2n(C)c(=O)n(C)c2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2CC(=O)Nc2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2[nH]c(=O)ccc2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc2ccccc2c(=O)[nH]1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(F)c2[nH]c(=O)ccc12)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2ccc(=O)[nH]c2c1Cl)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2NC(=O)CCc2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2c(cc[nH]c2=O)c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(C(N)=O)c(Cl)c1Cl)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc2ncccc12)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2n[nH]cc2c1Cl)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2C(=O)N(C)Cc2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)C#N)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(C(N)=O)c(C)c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2cnccc2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2ccncc2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2C(=O)NS(=O)(=O)c2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1C)C(N)=O)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2CCNC(=O)c2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2cccnc2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc(Cl)c(cc1F)C(N)=O)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2cn[nH]c(=O)c2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2cc(Cl)cnc2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)-c1cn[nH]c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(C(O)=O)c2ccccc12)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nccc(N)c2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2[nH]c(=O)[nH]c2c1C)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nccc(=O)n2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2n(C)c(=O)n(C)c2c1C)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2cc(OC)nnc2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(-c2cnco2)c1Cl)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)-c1ncco1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(-c2ccn(C)n2)c1Cl)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(C(O)=O)c2ncccc12)c1cccc(F)c1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(C(=O)NC)c2ncccc12)c1cccc(F)c1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc[nH]c(=O)c1C)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccn(C)c(=O)c1C)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)N1CC2(CCC2)c2ncccc12)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)C(O)=O)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc2n(C)c(=O)ccc12)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)C(=O)NC)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc2c1ccn(C)c2=O)c1ccccc1F |r|
CC[C@]1([C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl)c1cc(C)on1 |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)C(C)=O)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc(ccc1Cl)C(O)=O)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(Cl)c(=O)n1C)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(C(=O)NC2CC2)c2ncccc12)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(cc2c1Cl)C(C)C)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc(ccc1Cl)C(N)=O)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(C(=O)NS(C)(=O)=O)c2ncccc12)c1ccccc1F |r|
CC[C@]1([C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)-n1cccn1)c1nc(C)cs1 |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(-c2cncnc2)c1Cl)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)-c1nn[nH]n1)c1ccccc1F |r|
CN(C)C(=O)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl
CNC(=O)C1(CN)C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cnc2C(=O)NCc2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2n(C)c(=O)[nH]c2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2ncncc2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl)c1cc(F)cc(F)c1 |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc(OC)c2[nH]c(=O)[nH]c2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc2NC(=O)CCc12)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2cc[nH]c(=O)c2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)-c1noc(C)n1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)-c1ccn[nH]1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)-c1cnn(C)c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc2C(=O)NCCc12)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2c(cc[nH]c2=O)c1C)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2c(ccn(C)c2=O)c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2c(c1)nc[nH]c2=O)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2[nH]c(=O)[nH]c2c1Cl)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cnc2NC(=O)Cc2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2N(CCc2c1)C(C)=O)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2ncn(C)c2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2c(cc[nH]c2=O)c1F)c1cc(F)cc(F)c1 |r|
Cc1cc(ncc1-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F)C(N)=O |r|
Cc1c(ccc2nn(C)cc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1cc(F)cc(F)c1 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nc(ncc2c1)C(F)(F)F)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)C(=O)NC#N)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2OCCNc2c1Cl)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2NCCc2c1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)-c1cc(F)c(O)c(F)c1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(F)c2c1cc[nH]c2=O)c1ccccc1F |r|
Cn1ccc2c(ccc(F)c2c1=O)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cn1ccc2c(F)c(ccc2c1=O)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cn1c2ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3ccccc3F)c(Cl)c2n(C)c1=O |r|
Cc1c(ccc2n(C)cnc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2c(N)nccc2c1)c1ccccc1F |r|
Cn1c2cc(ccc2[nH]c1=O)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
CN1CCOc2ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3ccccc3F)c(Cl)c12 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc(F)c(O)c(F)c1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)-c1cc(F)cc(F)c1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(CC(N)=O)cc2c1Cl)c1ccccc1F |r|
CC(C)n1ncc2c(Cl)c(ccc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)N1CCCC1=O)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2ncnn2c1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(CC(N)=O)cc1Cl)c1ccccc1F |r|
Cn1cnc2c(Cl)c(ccc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc(F)cc(F)c1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(O)c(F)c1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(O)cc1F)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccn2ncnc2c1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)C#Cc1ccccc1F)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(cc2c1Cl)C(F)F)c1ccccc1F |r|
Cn1ccc2c(Cl)c(ccc2c1=O)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cc1nc2cc(ccc2[nH]1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cn1cnc2ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3ccccc3F)c(Cl)c12 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2c(cn[nH]c2=O)c1Cl)c1ccccc1F |r|
Cn1c2cc(ccc2oc1=O)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1nc2nc(Sc3ccnc(c3Cl)-n3cccn3)cnc2[nH]1)c1ccccc1F |r|
Cn1c(nc2[nH]nc(-c3ccc(C(N)=O)c4ncccc34)c2c1=O)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3cc(F)cc(F)c3)n(C)c(=O)c12 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(O)nc1C(F)(F)F)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)S(N)(=O)=O)c1ccccc1F |r|
Cn1cc(cn1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cc1c(cnn1C)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cc1nc2c(Cl)c(ccc2n1C)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
CN1Cc2c(ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3ccccc3F)c2Cl)C1=O |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2c(ccn(CCO)c2=O)c1F)c1ccccc1F |r|
COc1nccc2cc(ccc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cn1c2ccc(cc2oc1=O)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc(F)c(O)cc1F)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(F)c(O)c1F)c1ccccc1F |r|
CN(C#N)C(=O)c1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c(Cl)c1 |r|
COCCn1ccc2c(F)c(ccc2c1=O)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cc1nc2ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3ccccc3F)c(Cl)c2n1C |r|
CC(=O)Oc1c(F)cc(cc1F)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(O)c(c1)C(F)(F)F)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(CC(F)(F)F)cc2c1Cl)c1ccccc1F |r|
CN1C(=O)C(F)(F)c2c1ccc(-c1n[nH]c3nc(cnc13)N1CC[C@@H]3[C@H](C1)[C@@]3(CN)c1ccccc1F)c2Cl |r|
Cn1cc2ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3ccccc3F)c(Cl)c2n1 |r|
Cn1ncc2ccc(-c3n[nH]c4nc(cnc34)N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3ccccc3F)c(Cl)c12 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(CCO)cc2c1Cl)c1ccccc1F |r|
CC(C)(C)C#Cc1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1F)C(N)=O)c1ccccc1F |r|
Cc1nc(N)ccc1-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1cc(F)ccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1F |r|
Cc1nn(C)c(C)c1-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r,wU:21.24,20.22,wD:23.30,(8.33,1.39,;7,2.16,;7,3.7,;5.53,4.18,;5.14,5.67,;4.63,2.93,;3.09,2.93,;5.53,1.69,;5.14,.2,;6.04,-1.05,;5.14,-2.29,;3.67,-1.82,;2.34,-2.59,;1,-1.82,;1,-.28,;2.34,.49,;3.67,-.28,;-.33,-2.59,;-.33,-4.13,;-1.66,-4.9,;-3,-4.13,;-3,-2.59,;-1.66,-1.82,;-4.33,-3.36,;-5.66,-4.13,;-5.66,-5.67,;-5.66,-2.59,;-7,-3.36,;-8.33,-2.59,;-8.33,-1.05,;-7,-.28,;-5.66,-1.05,;-4.33,-.28,)|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2CNC(=O)Nc2c1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2NC(=O)C(F)(F)c2c1Cl)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(O)c(F)c1F)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc2C(=O)C(=O)Nc2cc1Cl)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(F)c2ncccc12)c1ccccc1F |r|
Cc1nc(no1)-c1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c(Cl)c1 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC[C@@H]4[C@H](C3)[C@@]4(CN)c3ccccc3F)n(C)c(=O)c12 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)-c1nsc(O)n1)c1ccccc1F |r|
Cn1c(nc2[nH]cc(-c3ccc4c(cc[nH]c4=O)c3F)c2c1=O)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc(F)c(CO)c(F)c1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2C(N=Cc2n1)c1ccnc2ccccc12)c1ccccc1F |r,c:16|
CC(=O)NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1)c1ccccc1F |r|
Cc1nc(cnc1Cc1ccnc(N)c1Cl)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1ccc2nc(Sc3ccnc(C)c3C)cnc2n1)c1ccccc1F |r|
CC[C@H]1CCN(C1)c1nccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CC)c2ccccc2F)c1Cl |r|
CC[C@@]1(C2CCN(CC12)c1ccc2nc(Sc3ccnc(C)c3C)ccc2n1)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc(Cc2ccnc(c2C)-n2cccn2)cn1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2cn(cc2c1C)C(C)C)c1ccccc1F |r|
NC[C@@]1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cnn(c1)-c1ccccc1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2=NCN=c2c1Cl)c1ccccc1F |r,c:28,t:25|
COCCn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cn1cc2cc(ccc2n1)-c1ccc2nc(cnc2n1)N1CCC2C(C1)[C@@]2(CN)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc2nc(Sc3ccnc(C)c3C)ccc2n1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2ncn(C)c2c1C)c1cc(F)ccc1F |r|
NC[C@@]1(C2CCN(CC12)c1cnc2c(Cc3ccnc(N)c3Cl)n[nH]c2n1)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc2nc(Cc3ccnc(c3C)-n3cccn3)ccc2n1)c1ccccc1F |r|
CCc1ccc(cc1C)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CC)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc2nc(Cc3ccc4nn(C)cc4c3C)ccc2n1)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc(Cc2ccnc(C)c2C)cn1)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc(Cc2ccnc(c2C)-n2cccn2)cn1)c1cc(F)ccc1F |r|
Cc1c(Cc2cnc(cn2)N2CC[C@H]3[C@@H](CC2)C3C(N)c2ccccc2F)ccnc1-n1cccn1 |r|
CCC1([C@H]2CCN(CC[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2[nH]ccc2c1Cl)c1ccccc1F |r|
NC[C@@]1(C2CCN(CC12)c1cnc2nc(ccc2n1)C1CCCc2ncccc12)c1ccccc1F |r|
NC[C@@]1(C2CCN(CC12)c1cnc2nc(Cc3ccncc3)ccc2n1)c1ccccc1F |r|
Cc1cccc(c1C)-c1ccc2nc(cc(=O)n2c1)N1CCC2C(C1)[C@@]2(CN)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc2nc(Cc3ccc(C)cc3)ccc2n1)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cc(=O)n2cc(Cc3ccnc(C)c3C)ccc2n1)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cc(=O)n(c(C)n1)-c1cccc(Cl)c1Cl)c1cc(F)ccc1F |r,wD:2.28,(-4.67,-5,;-4.67,-3.47,;-3.33,-2.69,;-2,-3.47,;-.67,-4.23,;.67,-3.47,;.67,-1.93,;-.67,-1.15,;-2,-1.93,;2,-1.15,;2,.38,;3.33,1.15,;3.33,2.69,;4.67,.38,;4.67,-1.15,;6,-1.93,;3.33,-1.93,;6,1.15,;7.34,.39,;8.67,1.15,;8.67,2.69,;7.34,3.47,;7.34,5,;6,2.69,;4.67,3.47,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-8.67,-2.69,;-7.34,-.38,;-6,.38,;-4.67,-.38,;-3.33,.38,)|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2n(ncc2c1Cl)C1CC1)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc(Cc2ccnc(N)c2C)c(N)n1)c1cc(F)ccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc2nc(ccc2n1)-c1ccc2nn(C)cc2c1)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1nccn2c(ncc12)-c1cccc(C)c1C)c1ccccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2ncn(C(C)=C)c2c1)c1ccccc1F |r|
CC(C)n1cnc2cc(ccc12)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
Cc1nccc(Cc2ccc3nc(cnc3n2)N2CCC3C(C2)[C@@]3(CN)c2ccccc2F)c1C |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(cc2c1Cl)C1CC1)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc(Cc2ccc(cc2C)C(N)=O)cn1)c1ccccc1F |r|
NC[C@@]1(C2CCN(CC12)c1cnc(Cc2cccc3ncccc23)cn1)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc(Cc2ccnc(C)c2C)cn1)c1cc(F)ccc1F |r|
Cc1c(ccc2nn(C)cc12)-c1ccc2nc(cnc2c1)N1CCC2C(C1)[C@@]2(CN)c1ccccc1F |r|
Cc1nccc(Cc2ccc3nc(cnc3n2)N2CCC3C(C2)[C@@]3(CN)c2cc(F)ccc2F)c1C |r|
Cc1c(Cc2cnc(cn2)N2CCC3C(C2)[C@@]3(CN)c2ccccc2F)ccc2nn(C)cc12 |r|
CC(C)C(=O)Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc(Cc2ccnc(N)c2C)c(N)n1)c1cccc(F)c1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc(Cc2ccnc(C3CC3)c2C)c(N)n1)c1cc(F)ccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc(Cc2ccnc(C)c2C)c(N)n1)c1cc(F)ccc1F |r|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2n(CC(=O)N(C)C)ncc2c1Cl)c1ccccc1F |r|
CC1=CCC(=N1)C1(C)C2CN(CC12)c1cc(=O)n(c(C)n1)-c1cccc(Cl)c1Cl |c:4,t:1,(-8.31,-4.26,;-6.98,-3.49,;-6.82,-1.96,;-5.31,-1.64,;-4.54,-2.97,;-5.57,-4.11,;-3.06,-3.37,;-4.14,-4.46,;-2.15,-2.12,;-1.01,-1.09,;.31,-1.86,;.01,-3.37,;-1.52,-3.53,;1.65,-1.09,;1.65,.45,;2.98,1.22,;2.98,2.76,;4.31,.45,;4.31,-1.09,;5.65,-1.86,;2.98,-1.86,;5.65,1.22,;6.98,.45,;8.31,1.22,;8.31,2.76,;6.98,3.53,;6.98,5.07,;5.65,2.76,;4.31,3.53,)|
CCC1(C2CN(CC12)c1cnc(Cc2ccnc(C)c2Cl)c(C)n1)C1=NC(C)=CC1 |c:31,t:28|
COc1cc(cc2cccnc12)-c1ccc2nc(cnc2c1)N1CCC2C(C1)[C@@]2(CN)c1ccccc1F |r|
Cn1cnc2ccc(cc12)-c1ccc2nc(cnc2c1)N1CCC2C(C1)[C@@]2(CN)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl)C1=NC(C)=CC1 |r,c:34,t:31|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl)c1ccccc1F |r|
CC[C@@]1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl)C1=NC(C)=CC1 |r,c:37,t:34|
CC[C@@]1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccn2nc(C)cc2c1Cl)C1=NC(C)=CC1 |r,c:38,t:35|
CC[C@]1([C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2C(=O)CC=Cc2c1C)C1=NC(C)=CC1 |r,c:28,38,t:35|
CCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc(Cl)c2ncccc12)C1=NC(C)=CC1 |c:38,t:35|
CCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc(c2ccccc12)S(F)(=O)=O)C1=NC(C)=CC1 |c:41,t:38|
CC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2N=C(C)Cc2c1Cl)C1=NC(C)=CC1 |r,c:38,t:26,35|
CC[C@]7(C1=NC(C)=CC1)[C@@H]6CCN(c5cnc4c(c3ccc2nn(C)c(C)c2c3Cl)n[nH]c4n5)C[C@@H]67
CCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc(C)c2ccccc12)C1=NC(C)=CC1 |c:38,t:35|
CCC1(C2CN(CC12)c1cnc(Cc2ccn3cc(nc3c2C)C(=O)C(C)C)cn1)C1=NC(C)=CC1 |c:38,t:35|
CC[C@@]1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc(OS(F)(=O)=O)c2ccccc12)C1=NC(C)=CC1 |r,c:42,t:39|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(CS(F)(=O)=O)c2ncccc12)c1ccccc1F |r|
CCC1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccc(OS(F)(=O)=O)c(C)c1C)C1=NC(C)=CC1 |c:39,t:36|
CC[C@@]1(C2CCN(CC12)c1cnc2c(n[nH]c2n1)-c1ccnc(c1Cl)-n1cccn1)c1ccccc1C |r|
CC[C@]1([C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1cccc(C)c1C)c1ccccc1 |r|
CC[C@]1([C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1C)c1ccccc1 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)-n1cccc1)c1ccccc1F |r|
CC[C@]1([C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1cc(C)c2ncccc2c1)c1ccccc1 |r|
CC[C@]1([C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nccnc2c1C)c1ccccc1 |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc2c(F)cccc12 |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nccnc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)sc2c1Cl |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2c(cc[nH]c2=O)c1 |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nscc2c1Cl |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2cn(nc2c1Cl)C(F)F |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(cc2c1Cl)C(F)F |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nsnc2c1Cl |r|
NC[C@]1([C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(cc2c1Cl)C(F)F)c1ccsn1 |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1nc2[nH]nc(-c3ccc4nc(C)sc4c3Cl)c2c(=O)n1C |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3C[C@H]4[C@@H](C3)[C@]4(CN)c3nc(Cl)cs3)n(C)c(=O)c12 |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1nc2[nH]nc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C |r|
Cc1csc(n1)[C@H](N)[C@H]1[C@H]2CN(C[C@@H]12)c1nc2[nH]cc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccn(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
Cc1nc2ccc(-c3n[nH]c4nc(cnc34)N3C[C@H]4[C@@H](C3)[C@]4(CN)c3ccn(C)n3)c(Cl)c2s1 |r|
COc6nccc(c4n[nH]c5nc(N1C[C@@H]2[C@H](C1)[C@@]2(CN)c3nc(C)cs3)cnc45)c6Cl
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(C)c1F |r|
CCn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1C[C@H]2[C@@H](C1)[C@]2(CN)c1nc(C)cs1 |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nnsc2c1Cl |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2n(C)ncc2c1Cl |r|
Cc1csc(n1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cc2cncn2cc1Cl |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1cccn2nccc12 |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2ncn(C)c2c1Cl |r|
CNC[C@]1([C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl)c1nc(C)cs1 |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1csc(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nccs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(Cl)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1C[C@H]2[C@@H](C1)[C@]2(CN)c1ncc(F)s1 |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1cnsn1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
Cc7nc6ccc(c4n[nH]c5nc(N1C[C@@H]2[C@H](C1)[C@@]2(CN)c3ccccn3)cnc45)c(Cl)c6s7
Cc1ccc(nc1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1C[C@H]2[C@@H](C1)[C@]2(CN)c1cccc(Cl)n1 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1C[C@H]2[C@@H](C1)[C@]2(CN)c1ccc(F)cn1 |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1cccc(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1 |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc(Sc2ccnc(N)c2Cl)nc1 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(cnc12)N1C[C@H]2[C@@H](C1)[C@]2(CN)c1ccccc1F |r|
CSc1nccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nnc(C)s1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
Cc1csc(n1)[C@@]1(CN)[C@@H]2CCN(C[C@H]12)c1cnc2c(c[nH]c2n1)-c1ccc(F)c2ncccc12 |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2n(S)c(=O)n(C)c2c1 |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(C(N)=O)c2ncccc12 |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2n[nH]cc2c1Cl |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2n(ncc2c1Cl)C(F)F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(c[nH]c2n1)-c1ccc(F)c2ncccc12)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(c2ncccc12)S(F)(=O)=O)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(F)c1Cl)c1ccccc1F |r|
NC[C@]1([C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(F)c2ncccc12)c1ccccc1 |r|
Cn1ccc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nccnc2c1Cl |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc(cc1Cl)C(N)=O |r|
CN1C(=O)Cc2cc(ccc12)-c1n[nH]c2nc(cnc12)N1C[C@H]2[C@@H](C1)[C@]2(CN)c1nc(C)cs1 |r|
Cc1nc(co1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2nc(SC3=CC=NC(C3=O)n3cccn3)ccc2n1 |r,c:26,t:24|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(c1Cl)-n1cccn1 |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(CC(F)F)cc2c1Cl |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccncc1Cl |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc(Sc2ccnc(c2Cl)-n2cccn2)cn1 |r|
CS(=O)(=O)c1ccc(-c2n[nH]c3nc(cnc23)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c2cccnc12 |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1ccnc(c1Cl)-n1cccc1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc(Sc2ccc3nccnc3c2Cl)c(N)n1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc(Sc2ccnc3ccccc23)c(N)n1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc(Sc2ccc(C(N)=O)c3ncccc23)c(N)n1)c1ccccc1F |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1nc(C)n(-c2cccc(Cl)c2Cl)c(=O)c1Cl |r,wU:9.10,13.13,6.7,(-7.87,-5.58,;-6.41,-5.1,;-5.16,-6,;-3.92,-5.1,;-4.39,-3.63,;-5.93,-3.63,;-3.62,-2.3,;-5.16,-2.3,;-5.93,-.97,;-2.85,-.97,;-1.81,.17,;-.42,-.47,;-.58,-2,;-2.08,-2.31,;.92,.3,;2.17,-.59,;3.57,.08,;4.85,-.79,;3.7,1.62,;5.09,2.28,;6.36,1.4,;7.75,2.06,;7.87,3.59,;6.61,4.47,;6.74,6,;5.22,3.81,;3.95,4.69,;2.42,2.51,;2.54,4.04,;1.04,1.83,;-.23,2.7,)|
Cn1cnc2ccc(cc12)-c1ccc2nc(cnc2n1)N1CC[C@@H]2[C@H](C1)[C@@]2(CN)c1cc(F)ccc1F |r|
Cc1csc(n1)[C@]1(CN)[C@H]2CN(C[C@@H]12)c1cnc2c(n[nH]c2n1)-c1ccc2nn(cc2c1Cl)C1CC1 |r|
Cc1nccc(-c2ccc3nc(cnc3n2)N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)c1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2nc(ccc2n1)-c1ccnc(c1)-n1cccn1)c1ccccc1F |r|
NC[C@@]1([C@@H]2CCN(C[C@H]12)c1cnc2c(n[nH]c2n1)-c1cccc2NC(=O)CCc12)c1cc(F)ccc1F |r|
N[C@@H]1c2ccc(cc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12)C#C |r|
Cc1nc(cc(=O)n1-c1ccccc1)N1CCC2(Cc3cc(ccc3[C@H]2N)C#C)CC1 |r|
Cc1nc(cc(=O)n1-c1ccc(F)c(Cl)c1)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
CNCC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(Cl)c3Cl)[C@H](N)c2c1 |r,wD:32.35,(11.17,-3.16,;9.63,-3.16,;8.86,-4.49,;7.32,-4.49,;5.78,-4.49,;4.24,-4.49,;3.47,-5.83,;1.93,-5.83,;1.16,-4.49,;-.34,-4.17,;-.5,-2.64,;-1.84,-3.41,;-3.17,-2.64,;-3.17,-1.1,;-1.84,-.33,;-.5,-1.1,;-4.51,-.33,;-5.84,-1.1,;-7.17,-.33,;-8.51,-1.1,;-7.17,1.21,;-5.84,1.98,;-5.84,3.52,;-4.51,1.21,;-8.51,1.98,;-9.84,1.21,;-11.17,1.98,;-11.17,3.52,;-9.84,4.29,;-9.84,5.83,;-8.51,3.52,;-7.17,4.29,;.9,-2.02,;1.3,-.53,;1.93,-3.16,;3.47,-3.16,)|
N[C@@H]1c2ccc(cc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1)C#C |r|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3cc(ccc3[C@H]2N)C#C)CC1 |r,wD:27.31,(-2.09,5.62,;-2.09,4.08,;-.76,3.31,;-.76,1.77,;-2.09,1,;-3.43,1.77,;-4.76,1,;-3.43,3.31,;-4.76,4.08,;-4.76,5.62,;-6.09,6.39,;-7.43,5.62,;-7.43,4.08,;-8.76,3.31,;-6.09,3.31,;-6.09,1.77,;.58,1,;.58,-.54,;1.91,-1.31,;3.24,-.54,;3.4,-2.07,;4.91,-2.39,;5.68,-3.72,;7.22,-3.72,;7.99,-2.39,;7.22,-1.06,;5.68,-1.06,;4.65,.09,;4.97,1.59,;7.99,-5.06,;8.76,-6.39,;3.24,1,;1.91,1.77,)|
CCOc1ccc(cc1Cl)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
Cc1nc(cc(=O)n1-c1c(F)cccc1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:27.31,(-3.91,4.29,;-3.91,2.75,;-2.58,1.98,;-2.58,.44,;-3.91,-.33,;-5.25,.44,;-6.58,-.33,;-5.25,1.98,;-6.58,2.75,;-7.91,1.98,;-7.91,.44,;-9.25,2.75,;-9.25,4.29,;-7.91,5.06,;-6.58,4.29,;-5.25,5.06,;-1.25,-.33,;-1.25,-1.87,;.09,-2.64,;1.42,-1.87,;1.58,-3.4,;3.09,-3.72,;3.86,-5.06,;5.4,-5.06,;6.17,-3.72,;5.4,-2.39,;3.86,-2.39,;2.83,-1.25,;3.23,.24,;7.71,-3.72,;9.25,-3.72,;1.42,-.33,;.09,.44,)|
COCCNc1nccc(Sc2cnc(N3CCC4(Cc5cc(ccc5[C@H]4N)C#C)CC3)n3ccnc23)c1Cl |r|
Cn1cc(-c2c(N)nc(N3CCC4(Cc5cc(ccc5[C@H]4N)C#C)CC3)n3ccnc23)c2cccnc12 |r,wD:20.22,(-6.84,6.87,;-6.22,5.46,;-4.71,5.14,;-4.55,3.61,;-3.22,2.84,;-1.88,3.61,;-1.88,5.15,;-.55,2.84,;-.55,1.3,;.78,.53,;.78,-1.01,;2.12,-1.78,;3.45,-1.01,;3.61,-2.54,;5.12,-2.86,;5.89,-4.2,;7.43,-4.2,;8.2,-2.86,;7.43,-1.53,;5.89,-1.53,;4.86,-.39,;5.18,1.12,;8.2,-5.53,;8.97,-6.87,;3.45,.53,;2.12,1.3,;-1.88,.53,;-2.2,-.98,;-3.73,-1.14,;-4.36,.27,;-3.22,1.3,;-5.96,2.98,;-6.43,1.52,;-7.94,1.2,;-8.97,2.34,;-8.49,3.81,;-6.99,4.13,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CC1)Oc1ccc(cc1[C@H]2N)C#C |r,wD:29.34,(-3.91,3.52,;-3.91,1.98,;-2.58,1.21,;-2.58,-.33,;-3.91,-1.1,;-5.25,-.33,;-6.58,-1.1,;-5.25,1.21,;-6.58,1.98,;-7.91,1.21,;-9.25,1.98,;-9.25,3.52,;-7.91,4.29,;-7.91,5.83,;-6.58,3.52,;-5.25,4.29,;-1.25,-1.1,;.09,-.33,;1.42,-1.1,;1.42,-2.64,;.09,-3.41,;-1.25,-2.64,;1.58,-4.17,;3.09,-4.49,;3.86,-5.83,;5.4,-5.83,;6.17,-4.49,;5.4,-3.16,;3.86,-3.16,;2.83,-2.02,;3.15,-.51,;7.71,-4.49,;9.25,-4.49,)|
Cc1nc(cc(=O)n1-c1ccc(F)c(Cl)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:28.32,(-3.25,3.52,;-3.25,1.98,;-1.91,1.21,;-1.91,-.33,;-3.25,-1.1,;-4.58,-.33,;-5.91,-1.1,;-4.58,1.21,;-5.91,1.98,;-7.25,1.21,;-8.58,1.98,;-8.58,3.52,;-9.92,4.29,;-7.25,4.29,;-7.25,5.83,;-5.91,3.52,;-4.58,4.29,;-.58,-1.1,;-.58,-2.64,;.75,-3.41,;2.09,-2.64,;2.25,-4.17,;3.76,-4.49,;4.53,-5.83,;6.07,-5.83,;6.84,-4.49,;6.07,-3.16,;4.53,-3.16,;3.49,-2.02,;3.89,-.53,;8.38,-4.49,;9.92,-4.49,;2.09,-1.1,;.75,-.33,)|
Cn1cc(-c2c(N)nc(N3CCC4(Cc5cc(ccc5[C@H]4N)C#C)CC3)n(C)c2=O)c2cccnc12 |r,wD:20.22,(-19.35,-8.94,;-18.73,-10.35,;-17.22,-10.67,;-17.06,-12.2,;-15.73,-12.97,;-14.39,-12.2,;-14.39,-10.66,;-13.06,-12.97,;-13.06,-14.51,;-11.73,-15.28,;-10.39,-14.51,;-9.06,-15.28,;-9.06,-16.82,;-8.9,-18.35,;-7.39,-18.67,;-6.62,-20.01,;-5.08,-20.01,;-4.31,-18.67,;-5.08,-17.34,;-6.62,-17.34,;-7.65,-16.19,;-7.33,-14.69,;-4.31,-21.34,;-3.54,-22.67,;-10.39,-17.59,;-11.73,-16.82,;-14.39,-15.28,;-14.39,-16.82,;-15.73,-14.51,;-17.06,-15.28,;-18.47,-12.83,;-18.94,-14.29,;-20.45,-14.61,;-21.48,-13.47,;-21,-12,;-19.5,-11.68,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1)N1CCC2(Cc3cc(ccc3[C@H]2N)C#C)CC1 |r|
Cc1nc(N2CCC3(Cc4ccc(cc4[C@H]3N)C#C)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:15.17,(-3.25,4.29,;-3.25,2.75,;-1.91,1.98,;-1.91,.44,;-.58,-.33,;-.58,-1.87,;.75,-2.64,;2.09,-1.87,;2.25,-3.4,;3.76,-3.72,;4.53,-5.06,;6.07,-5.06,;6.84,-3.72,;6.07,-2.39,;4.53,-2.39,;3.49,-1.25,;3.89,.24,;8.38,-3.72,;9.92,-3.72,;2.09,-.33,;.75,.44,;-3.25,-.33,;-3.25,-1.87,;-4.58,.44,;-5.91,-.33,;-4.58,1.98,;-5.91,2.75,;-5.91,4.29,;-7.25,5.06,;-8.58,4.29,;-8.58,2.75,;-9.92,1.98,;-7.25,1.98,;-7.25,.44,)|
CN(C)CC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(Cl)c3Cl)[C@H](N)c2c1 |r,wD:34.37,(11.84,-3.16,;10.3,-3.16,;9.53,-1.83,;9.53,-4.49,;7.99,-4.49,;6.45,-4.49,;4.91,-4.49,;4.14,-5.83,;2.6,-5.83,;1.83,-4.49,;.32,-4.17,;.16,-2.64,;-1.17,-3.41,;-2.5,-2.64,;-2.5,-1.1,;-1.17,-.33,;.16,-1.1,;-3.84,-.33,;-5.17,-1.1,;-6.51,-.33,;-7.84,-1.1,;-6.51,1.21,;-5.17,1.98,;-5.17,3.52,;-3.84,1.21,;-7.84,1.98,;-9.17,1.21,;-10.51,1.98,;-10.51,3.52,;-11.84,4.29,;-9.17,4.29,;-9.17,5.83,;-7.84,3.52,;-6.51,4.29,;1.57,-2.02,;1.97,-.53,;2.6,-3.16,;4.14,-3.16,)|
Cn1c(nc(N)c(Sc2ccnc(N)c2Cl)c1=O)N1CCC2(Cc3cc(ccc3[C@H]2N)C#C)CC1 |r|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)n2)c2nccn12)C#C |r|
Cc1nc(N2CCC3(Cc4ccc(cc4[C@H]3N)C#C)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:15.17,(-3.91,3.52,;-3.91,1.98,;-2.58,1.21,;-2.58,-.33,;-1.25,-1.1,;-1.25,-2.64,;.09,-3.41,;1.42,-2.64,;1.58,-4.17,;3.09,-4.49,;3.86,-5.83,;5.4,-5.83,;6.17,-4.49,;5.4,-3.16,;3.86,-3.16,;2.83,-2.02,;3.23,-.53,;7.71,-4.49,;9.25,-4.49,;1.42,-1.1,;.09,-.33,;-3.91,-1.1,;-3.91,-2.64,;-5.25,-.33,;-6.58,-1.1,;-5.25,1.21,;-6.58,1.98,;-7.91,1.21,;-9.25,1.98,;-9.25,3.52,;-7.91,4.29,;-7.91,5.83,;-6.58,3.52,;-5.25,4.29,)|
CN(C)CC#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)[C@H](N)c2c1 |r|
Cn1cc(-c2cnc(N3CCC4(Cc5cc(ccc5[C@H]4N)C#C)CC3)n3ccnc23)c2cccnc12 |r|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CC1)Oc1cc(ccc1[C@H]2N)C#C |r,wD:29.34,(-2.09,5.62,;-2.09,4.08,;-.76,3.31,;-.76,1.77,;-2.09,1,;-3.43,1.77,;-4.76,1,;-3.43,3.31,;-4.76,4.08,;-4.76,5.62,;-6.09,6.39,;-7.43,5.62,;-7.43,4.08,;-8.76,3.31,;-6.09,3.31,;-6.09,1.77,;.58,1,;.58,-.54,;1.91,-1.31,;3.24,-.54,;3.24,1,;1.91,1.77,;3.4,-2.07,;4.91,-2.39,;5.68,-3.72,;7.22,-3.72,;7.99,-2.39,;7.22,-1.06,;5.68,-1.06,;4.65,.09,;4.97,1.59,;7.99,-5.06,;8.76,-6.39,)|
CN(C)CC#Cc1ccc2CC3(CCN(CC3)c3nc(C)n(-c4cccc(Cl)c4Cl)c(=O)c3C)[C@H](N)c2c1 |r,wD:34.37,(11.84,-2.39,;10.3,-2.39,;9.53,-1.06,;9.53,-3.72,;7.99,-3.72,;6.45,-3.72,;4.91,-3.72,;4.14,-5.06,;2.6,-5.06,;1.83,-3.72,;.32,-3.4,;.16,-1.87,;-1.17,-2.64,;-2.5,-1.87,;-2.5,-.33,;-1.17,.44,;.16,-.33,;-3.84,.44,;-3.84,1.98,;-5.17,2.75,;-5.17,4.29,;-6.51,1.98,;-7.84,2.75,;-7.84,4.29,;-9.17,5.06,;-10.51,4.29,;-10.51,2.75,;-11.84,1.98,;-9.17,1.98,;-9.17,.44,;-6.51,.44,;-7.84,-.33,;-5.17,-.33,;-5.17,-1.87,;1.57,-1.25,;1.97,.24,;2.6,-2.39,;4.14,-2.39,)|
CN(C)CC#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)C(=O)c2c1
N[C@@H]1c2ccc(cc2CC11CCN(CC1)c1ncc(Sc2ccnc(NCCO)c2Cl)c2nccn12)C#C |r|
COc1cc(ccc1F)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
CN(C)CC#Cc1ccc2CC3(CCN(CC3)c3nc(C)n(-c4cccc(Cl)c4Cl)c(=O)c3C)[C@H](N)c2c1 |r,wD:34.37,(11.17,-3.16,;9.63,-3.16,;8.86,-1.83,;8.86,-4.49,;7.32,-4.49,;5.78,-4.49,;4.24,-4.49,;3.47,-5.83,;1.93,-5.83,;1.16,-4.49,;-.34,-4.17,;-.5,-2.64,;-1.84,-3.41,;-3.17,-2.64,;-3.17,-1.1,;-1.84,-.33,;-.5,-1.1,;-4.51,-.33,;-4.51,1.21,;-5.84,1.98,;-5.84,3.52,;-7.17,1.21,;-8.51,1.98,;-9.84,1.21,;-11.17,1.98,;-11.17,3.52,;-9.84,4.29,;-9.84,5.83,;-8.51,3.52,;-7.17,4.29,;-7.17,-.33,;-8.51,-1.1,;-5.84,-1.1,;-5.84,-2.64,;.9,-2.02,;1.3,-.53,;1.93,-3.16,;3.47,-3.16,)|
Cc1nc(cc(=O)n1-c1cc(Cl)ccc1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:27.31,(-3.25,4.29,;-3.25,2.75,;-1.91,1.98,;-1.91,.44,;-3.25,-.33,;-4.58,.44,;-5.91,-.33,;-4.58,1.98,;-5.91,2.75,;-7.25,1.98,;-8.58,2.75,;-9.92,1.98,;-8.58,4.29,;-7.25,5.06,;-5.91,4.29,;-4.58,5.06,;-.58,-.33,;-.58,-1.87,;.75,-2.64,;2.09,-1.87,;2.25,-3.4,;3.76,-3.72,;4.53,-5.06,;6.07,-5.06,;6.84,-3.72,;6.07,-2.39,;4.53,-2.39,;3.49,-1.25,;3.89,.24,;8.38,-3.72,;9.92,-3.72,;2.09,-.33,;.75,.44,)|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12)C#C |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(Cl)c3Cl)[C@H](N)c2c1 |r,wD:32.35,(11.17,-3.16,;9.63,-3.16,;8.86,-4.49,;7.32,-4.49,;5.78,-4.49,;4.24,-4.49,;3.47,-5.83,;1.93,-5.83,;1.16,-4.49,;-.34,-4.17,;-.5,-2.64,;-1.84,-3.41,;-3.17,-2.64,;-3.17,-1.1,;-1.84,-.33,;-.5,-1.1,;-4.51,-.33,;-5.84,-1.1,;-7.17,-.33,;-8.51,-1.1,;-7.17,1.21,;-5.84,1.98,;-5.84,3.52,;-4.51,1.21,;-8.51,1.98,;-9.84,1.21,;-11.17,1.98,;-11.17,3.52,;-9.84,4.29,;-9.84,5.83,;-8.51,3.52,;-7.17,4.29,;.9,-2.02,;1.22,-.51,;1.93,-3.16,;3.47,-3.16,)|
CN(C)CC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(Cl)c3Cl)[C@H](N)c2c1 |r,wD:33.36,(11.17,-3.16,;9.63,-3.16,;8.86,-1.83,;8.86,-4.49,;7.32,-4.49,;5.78,-4.49,;4.24,-4.49,;3.47,-5.83,;1.93,-5.83,;1.16,-4.49,;-.34,-4.17,;-.5,-2.64,;-1.84,-3.41,;-3.17,-2.64,;-3.17,-1.1,;-1.84,-.33,;-.5,-1.1,;-4.51,-.33,;-5.84,-1.1,;-7.17,-.33,;-8.51,-1.1,;-7.17,1.21,;-5.84,1.98,;-5.84,3.52,;-4.51,1.21,;-8.51,1.98,;-9.84,1.21,;-11.17,1.98,;-11.17,3.52,;-9.84,4.29,;-9.84,5.83,;-8.51,3.52,;-7.17,4.29,;.9,-2.02,;1.3,-.53,;1.93,-3.16,;3.47,-3.16,)|
CN(C)CC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(F)c3Cl)[C@H](N)c2c1 |r,wD:33.36,(11.17,-3.16,;9.63,-3.16,;8.86,-1.83,;8.86,-4.49,;7.32,-4.49,;5.78,-4.49,;4.24,-4.49,;3.47,-5.83,;1.93,-5.83,;1.16,-4.49,;-.34,-4.17,;-.5,-2.64,;-1.84,-3.41,;-3.17,-2.64,;-3.17,-1.1,;-1.84,-.33,;-.5,-1.1,;-4.51,-.33,;-5.84,-1.1,;-7.17,-.33,;-8.51,-1.1,;-7.17,1.21,;-5.84,1.98,;-5.84,3.52,;-4.51,1.21,;-8.51,1.98,;-9.84,1.21,;-11.17,1.98,;-11.17,3.52,;-9.84,4.29,;-9.84,5.83,;-8.51,3.52,;-7.17,4.29,;.9,-2.02,;1.3,-.53,;1.93,-3.16,;3.47,-3.16,)|
N[C@@H]1c2ccc(cc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)n2)c2nccn12)C#C |r|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#CCOC(C)(C)C)CC1 |r,wD:27.31,(-6.61,3.52,;-6.61,1.98,;-5.28,1.21,;-5.28,-.33,;-6.61,-1.1,;-7.94,-.33,;-9.28,-1.1,;-7.94,1.21,;-9.28,1.98,;-10.61,1.21,;-11.94,1.98,;-11.94,3.52,;-10.61,4.29,;-10.61,5.83,;-9.28,3.52,;-7.94,4.29,;-3.94,-1.1,;-3.94,-2.64,;-2.61,-3.41,;-1.27,-2.64,;-1.11,-4.17,;.39,-4.49,;1.16,-5.83,;2.7,-5.83,;3.47,-4.49,;2.7,-3.16,;1.16,-3.16,;.13,-2.02,;.45,-.51,;5.01,-4.49,;6.55,-4.49,;8.09,-4.49,;8.86,-3.16,;10.4,-3.16,;11.17,-1.83,;11.17,-4.49,;11.94,-3.16,;-1.27,-1.1,;-2.61,-.33,)|
CSc1cccc(c1)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
CN(C)CC#Cc1ccc2CC3(CCN(CC3)c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)[C@H](N)c2c1 |r|
N[C@@H]1c2ccc(cc2CC11CCN(CC1)c1ncc(Sc2ccnc(NC3CCC3)c2Cl)c2nccn12)C#C |r|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#CCO)CC1 |r,wD:27.31,(-5.07,3.52,;-5.07,1.98,;-3.74,1.21,;-3.74,-.33,;-5.07,-1.1,;-6.4,-.33,;-7.74,-1.1,;-6.4,1.21,;-7.74,1.98,;-9.07,1.21,;-10.4,1.98,;-10.4,3.52,;-9.07,4.29,;-9.07,5.83,;-7.74,3.52,;-6.4,4.29,;-2.4,-1.1,;-2.4,-2.64,;-1.07,-3.41,;.27,-2.64,;.43,-4.17,;1.93,-4.49,;2.7,-5.83,;4.24,-5.83,;5.01,-4.49,;4.24,-3.16,;2.7,-3.16,;1.67,-2.02,;1.99,-.51,;6.55,-4.49,;8.09,-4.49,;9.63,-4.49,;10.4,-3.16,;.27,-1.1,;-1.07,-.33,)|
Cc1nc(N2CCC3(Cc4ccc(cc4[C@H]3N)C#C)CC2)c(C)c(=O)n1-c1ccc(F)cc1Cl |r,wD:15.17,(-3.25,4.29,;-3.25,2.75,;-1.91,1.98,;-1.91,.44,;-.58,-.33,;-.58,-1.87,;.75,-2.64,;2.09,-1.87,;2.25,-3.4,;3.76,-3.72,;4.53,-5.06,;6.07,-5.06,;6.84,-3.72,;6.07,-2.39,;4.53,-2.39,;3.49,-1.25,;3.89,.24,;8.38,-3.72,;9.92,-3.72,;2.09,-.33,;.75,.44,;-3.25,-.33,;-3.25,-1.87,;-4.58,.44,;-5.91,-.33,;-4.58,1.98,;-5.91,2.75,;-7.25,1.98,;-8.58,2.75,;-8.58,4.29,;-9.92,5.06,;-7.25,5.06,;-5.91,4.29,;-4.58,5.06,)|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12)C#CCO |r|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CC1)Oc1cc(ccc1[C@H]2N)C#C |r,wD:29.34,(-2.76,4.85,;-2.76,3.31,;-1.43,2.54,;-1.43,1,;-2.76,.23,;-4.09,1,;-5.43,.23,;-4.09,2.54,;-5.43,3.31,;-6.76,2.54,;-8.09,3.31,;-8.09,4.85,;-6.76,5.62,;-6.76,7.16,;-5.43,4.85,;-4.09,5.62,;-.09,.23,;-.09,-1.31,;1.24,-2.08,;2.58,-1.31,;2.58,.23,;1.24,1,;2.74,-2.84,;4.24,-3.16,;5.01,-4.49,;6.55,-4.49,;7.32,-3.16,;6.55,-1.83,;5.01,-1.83,;3.98,-.68,;4.3,.82,;7.32,-5.83,;8.09,-7.16,)|
Cc1nc(cc(=O)n1-c1c(Cl)cccc1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:27.31,(-3.91,4.29,;-3.91,2.75,;-2.58,1.98,;-2.58,.44,;-3.91,-.33,;-5.25,.44,;-6.58,-.33,;-5.25,1.98,;-6.58,2.75,;-6.58,4.29,;-5.25,5.06,;-7.91,5.06,;-9.25,4.29,;-9.25,2.75,;-7.91,1.98,;-7.91,.44,;-1.25,-.33,;-1.25,-1.87,;.09,-2.64,;1.42,-1.87,;1.58,-3.4,;3.09,-3.72,;3.86,-5.06,;5.4,-5.06,;6.17,-3.72,;5.4,-2.39,;3.86,-2.39,;2.83,-1.25,;3.15,.26,;7.71,-3.72,;9.25,-3.72,;1.42,-.33,;.09,.44,)|
Cc1nc(cc(=O)n1-c1cc(F)cc(F)c1)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
Cc1nc(cc(=O)n1-c1ccc(F)c(F)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:28.32,(-3.25,3.52,;-3.25,1.98,;-1.91,1.21,;-1.91,-.33,;-3.25,-1.1,;-4.58,-.33,;-5.91,-1.1,;-4.58,1.21,;-5.91,1.98,;-7.25,1.21,;-8.58,1.98,;-8.58,3.52,;-9.92,4.29,;-7.25,4.29,;-7.25,5.83,;-5.91,3.52,;-4.58,4.29,;-.58,-1.1,;-.58,-2.64,;.75,-3.41,;2.09,-2.64,;2.25,-4.17,;3.76,-4.49,;4.53,-5.83,;6.07,-5.83,;6.84,-4.49,;6.07,-3.16,;4.53,-3.16,;3.49,-2.02,;3.89,-.53,;8.38,-4.49,;9.92,-4.49,;2.09,-1.1,;.75,-.33,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N[S@](=O)C(C)(C)C)C#C[Si](C)(C)C)CC1 |r,wU:29.32,wD:27.31,(-7.64,6.01,;-7.64,4.47,;-6.31,3.7,;-6.31,2.16,;-7.64,1.39,;-8.98,2.16,;-10.31,1.39,;-8.98,3.7,;-10.31,4.47,;-11.65,3.7,;-12.98,4.47,;-12.98,6.01,;-11.65,6.78,;-11.65,8.32,;-10.31,6.01,;-8.98,6.78,;-4.98,1.39,;-3.64,2.16,;-2.31,1.39,;-2.31,-.15,;-2.15,-1.68,;-.64,-2,;.13,-3.33,;1.67,-3.33,;2.44,-2,;1.67,-.66,;.13,-.66,;-.9,.48,;-.58,1.99,;.88,2.46,;2.03,1.43,;1.2,3.97,;.06,5,;2.67,4.45,;1.52,5.48,;3.98,-2,;5.94,-2,;7.91,-2,;9.88,-2,;7.91,-3.96,;7.91,-.03,;-3.64,-.92,;-4.98,-.15,)|
Cc1nc(cc(=O)n1-c1cccc(C#N)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:28.32,(-3.91,2.75,;-3.91,1.21,;-2.58,.44,;-2.58,-1.1,;-3.91,-1.87,;-5.25,-1.1,;-6.58,-1.87,;-5.25,.44,;-6.58,1.21,;-7.91,.44,;-9.25,1.21,;-9.25,2.75,;-7.91,3.52,;-7.91,5.06,;-7.91,6.6,;-6.58,2.75,;-5.25,3.52,;-1.25,-1.87,;-1.25,-3.41,;.09,-4.18,;1.42,-3.41,;1.58,-4.94,;3.09,-5.26,;3.86,-6.6,;5.4,-6.6,;6.17,-5.26,;5.4,-3.93,;3.86,-3.93,;2.83,-2.79,;3.15,-1.28,;7.71,-5.26,;9.25,-5.26,;1.42,-1.87,;.09,-1.1,)|
Cc1nc(cc(=O)n1-c1ccccc1Cl)N1CC[C@]2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wU:18.20,wD:26.30,(-3.91,2.75,;-3.91,1.21,;-2.58,.44,;-2.58,-1.1,;-3.91,-1.87,;-5.25,-1.1,;-6.58,-1.87,;-5.25,.44,;-6.58,1.21,;-7.91,.44,;-9.25,1.21,;-9.25,2.75,;-7.91,3.52,;-6.58,2.75,;-5.25,3.52,;-1.25,-1.87,;-1.25,-3.41,;.09,-4.18,;1.42,-3.41,;1.58,-4.94,;3.09,-5.26,;3.86,-6.6,;5.4,-6.6,;6.17,-5.26,;5.4,-3.93,;3.86,-3.93,;2.83,-2.79,;3.15,-1.28,;7.71,-5.26,;9.25,-5.26,;1.42,-1.87,;.09,-1.1,)|
COc1c(F)ccc(c1F)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:29.33,(-8.58,6.21,;-7.25,5.44,;-7.25,3.9,;-8.58,3.13,;-9.92,3.9,;-8.58,1.59,;-7.25,.82,;-5.91,1.59,;-5.91,3.13,;-4.58,3.9,;-4.58,.82,;-3.25,1.59,;-3.25,3.13,;-1.91,.82,;-1.91,-.72,;-3.25,-1.49,;-4.58,-.72,;-5.91,-1.49,;-.58,-1.49,;-.58,-3.03,;.75,-3.8,;2.09,-3.03,;2.25,-4.56,;3.76,-4.88,;4.53,-6.21,;6.07,-6.21,;6.84,-4.88,;6.07,-3.55,;4.53,-3.55,;3.49,-2.4,;3.89,-.91,;8.38,-4.88,;9.92,-4.88,;2.09,-1.49,;.75,-.72,)|
Cc1nc(cc(=O)n1-c1ccc(F)c(F)c1)N1CCC2(CC1)Oc1cc(ccc1[C@H]2N)C#C |r|
Cc1nc(cc(=O)n1-c1c(F)cccc1F)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:27.31,(-3.91,4.29,;-3.91,2.75,;-2.58,1.98,;-2.58,.44,;-3.91,-.33,;-5.25,.44,;-6.58,-.33,;-5.25,1.98,;-6.58,2.75,;-6.58,4.29,;-5.25,5.06,;-7.91,5.06,;-9.25,4.29,;-9.25,2.75,;-7.91,1.98,;-7.91,.44,;-1.25,-.33,;-1.25,-1.87,;.09,-2.64,;1.42,-1.87,;1.58,-3.4,;3.09,-3.72,;3.86,-5.06,;5.4,-5.06,;6.17,-3.72,;5.4,-2.39,;3.86,-2.39,;2.83,-1.25,;3.15,.26,;7.71,-3.72,;9.25,-3.72,;1.42,-.33,;.09,.44,)|
Cc1nc(cc(=O)n1-c1ccccc1Cl)N1CC[C@]2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:18.20,26.30,(-3.91,2.75,;-3.91,1.21,;-2.58,.44,;-2.58,-1.1,;-3.91,-1.87,;-5.25,-1.1,;-6.58,-1.87,;-5.25,.44,;-6.58,1.21,;-7.91,.44,;-9.25,1.21,;-9.25,2.75,;-7.91,3.52,;-6.58,2.75,;-5.25,3.52,;-1.25,-1.87,;.09,-1.1,;1.42,-1.87,;1.42,-3.41,;1.58,-4.94,;3.09,-5.26,;3.86,-6.6,;5.4,-6.6,;6.17,-5.26,;5.4,-3.93,;3.86,-3.93,;2.83,-2.79,;3.15,-1.28,;7.71,-5.26,;9.25,-5.26,;.09,-4.18,;-1.25,-3.41,)|
CC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(Cl)c3Cl)[C@H](N)c2c1 |r,wD:30.33,(10.02,-4.49,;8.48,-4.49,;6.94,-4.49,;5.4,-4.49,;4.63,-5.83,;3.09,-5.83,;2.32,-4.49,;.81,-4.17,;.65,-2.64,;-.68,-3.41,;-2.02,-2.64,;-2.02,-1.1,;-.68,-.33,;.65,-1.1,;-3.35,-.33,;-4.68,-1.1,;-6.02,-.33,;-7.35,-1.1,;-6.02,1.21,;-4.68,1.98,;-4.68,3.52,;-3.35,1.21,;-7.35,1.98,;-8.68,1.21,;-10.02,1.98,;-10.02,3.52,;-8.68,4.29,;-8.68,5.83,;-7.35,3.52,;-6.02,4.29,;2.06,-2.02,;2.46,-.53,;3.09,-3.16,;4.63,-3.16,)|
Cc1nc(N2CCC3(CC2)Oc2cc(ccc2[C@H]3N)C#C)c(C)c(=O)n1-c1ccc(F)c(F)c1 |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3nc(C)n(-c4cccc(Cl)c4Cl)c(=O)c3C)[C@H](N)c2c1 |r,wD:33.36,(11.17,-3.16,;9.63,-3.16,;8.86,-4.49,;7.32,-4.49,;5.78,-4.49,;4.24,-4.49,;3.47,-5.83,;1.93,-5.83,;1.16,-4.49,;-.34,-4.17,;-.5,-2.64,;-1.84,-3.41,;-3.17,-2.64,;-3.17,-1.1,;-1.84,-.33,;-.5,-1.1,;-4.51,-.33,;-4.51,1.21,;-5.84,1.98,;-5.84,3.52,;-7.17,1.21,;-8.51,1.98,;-9.84,1.21,;-11.17,1.98,;-11.17,3.52,;-9.84,4.29,;-9.84,5.83,;-8.51,3.52,;-7.17,4.29,;-7.17,-.33,;-8.51,-1.1,;-5.84,-1.1,;-5.84,-2.64,;.9,-2.02,;1.3,-.53,;1.93,-3.16,;3.47,-3.16,)|
COc1ccc(Cl)c(c1)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:28.32,(-10.58,2.75,;-9.25,1.98,;-7.91,2.75,;-7.91,4.29,;-6.58,5.06,;-5.25,4.29,;-3.91,5.06,;-5.25,2.75,;-6.58,1.98,;-3.91,1.98,;-2.58,2.75,;-2.58,4.29,;-1.25,1.98,;-1.25,.44,;-2.58,-.33,;-3.91,.44,;-5.25,-.33,;.09,-.33,;.09,-1.87,;1.42,-2.64,;2.75,-1.87,;2.92,-3.4,;4.42,-3.72,;5.19,-5.06,;6.73,-5.06,;7.5,-3.72,;6.73,-2.39,;5.19,-2.39,;4.16,-1.25,;4.56,.24,;9.04,-3.72,;10.58,-3.72,;2.75,-.33,;1.42,.44,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3c(cccc3C#C)[C@H]2N)CC1 |r,wD:29.33,(-2.37,4.85,;-2.37,3.31,;-1.04,2.54,;-1.04,1,;-2.37,.23,;-3.71,1,;-5.04,.23,;-3.71,2.54,;-5.04,3.31,;-6.37,2.54,;-7.71,3.31,;-7.71,4.85,;-6.37,5.62,;-6.37,7.16,;-5.04,4.85,;-3.71,5.62,;.29,.23,;.29,-1.31,;1.63,-2.08,;2.96,-1.31,;3.12,-2.84,;4.63,-3.16,;5.4,-1.83,;6.94,-1.83,;7.71,-3.16,;6.94,-4.49,;5.4,-4.49,;4.63,-5.83,;3.86,-7.16,;4.37,-.68,;4.77,.81,;2.96,.23,;1.63,1,)|
Cc1nc(cc(=O)n1-c1ccc(F)c(F)c1)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
C[C@@H](O)C#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(Cl)c3Cl)[C@H](N)c2c1 |r,wD:1.1,32.35,(10.4,-5.83,;9.63,-4.49,;10.4,-3.16,;8.09,-4.49,;6.55,-4.49,;5.01,-4.49,;4.24,-5.83,;2.7,-5.83,;1.93,-4.49,;.43,-4.17,;.27,-2.64,;.27,-1.1,;-1.07,-.33,;-2.4,-1.1,;-2.4,-2.64,;-1.07,-3.41,;-3.74,-.33,;-5.07,-1.1,;-6.4,-.33,;-7.74,-1.1,;-6.4,1.21,;-5.07,1.98,;-5.07,3.52,;-3.74,1.21,;-7.74,1.98,;-9.07,1.21,;-10.4,1.98,;-10.4,3.52,;-9.07,4.29,;-9.07,5.83,;-7.74,3.52,;-6.4,4.29,;1.67,-2.02,;1.99,-.51,;2.7,-3.16,;4.24,-3.16,)|
COc1ccc(Cl)c(c1)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:28.32,(-9.25,6.21,;-7.91,5.44,;-7.91,3.9,;-9.25,3.13,;-9.25,1.59,;-7.91,.82,;-7.91,-.72,;-6.58,1.59,;-6.58,3.13,;-5.25,.82,;-3.91,1.59,;-3.91,3.13,;-2.58,.82,;-2.58,-.72,;-3.91,-1.49,;-5.25,-.72,;-6.58,-1.49,;-1.25,-1.49,;-1.25,-3.03,;.09,-3.8,;1.42,-3.03,;1.58,-4.56,;3.09,-4.88,;3.86,-6.21,;5.4,-6.21,;6.17,-4.88,;5.4,-3.55,;3.86,-3.55,;2.83,-2.4,;3.23,-.91,;7.71,-4.88,;9.25,-4.88,;1.42,-1.49,;.09,-.72,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccc(SC4COC4)cc3[C@H]2N)CC1 |wU:32.37,(12.74,-1.9,;11.97,-.56,;10.43,-.56,;9.66,.77,;10.43,2.1,;11.97,2.1,;12.74,3.44,;12.74,.77,;14.28,.77,;15.05,2.1,;16.59,2.1,;17.36,.77,;16.59,-.56,;17.36,-1.9,;15.05,-.56,;14.28,-1.9,;8.12,.77,;7.35,-.56,;5.81,-.56,;5.04,.77,;4.13,-.48,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-1.33,3.85,;-2.42,4.94,;-1.33,6.03,;-.24,4.94,;1.33,2.31,;2.67,1.54,;4.13,2.02,;4.61,3.48,;5.81,2.1,;7.35,2.1,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1F)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:27.31,(-3.91,3.52,;-3.91,1.98,;-2.58,1.21,;-2.58,-.33,;-3.91,-1.1,;-5.25,-.33,;-6.58,-1.1,;-5.25,1.21,;-6.58,1.98,;-7.91,1.21,;-9.25,1.98,;-9.25,3.52,;-7.91,4.29,;-7.91,5.83,;-6.58,3.52,;-5.25,4.29,;-1.25,-1.1,;-1.25,-2.64,;.09,-3.41,;1.42,-2.64,;1.58,-4.17,;3.09,-4.49,;3.86,-5.83,;5.4,-5.83,;6.17,-4.49,;5.4,-3.16,;3.86,-3.16,;2.83,-2.02,;3.15,-.51,;7.71,-4.49,;9.25,-4.49,;1.42,-1.1,;.09,-.33,)|
C[C@H](O)C#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(Cl)c3Cl)[C@H](N)c2c1 |r,wU:1.1,wD:32.35,(10.4,-5.83,;9.63,-4.49,;10.4,-3.16,;8.09,-4.49,;6.55,-4.49,;5.01,-4.49,;4.24,-5.83,;2.7,-5.83,;1.93,-4.49,;.43,-4.17,;.27,-2.64,;.27,-1.1,;-1.07,-.33,;-2.4,-1.1,;-2.4,-2.64,;-1.07,-3.41,;-3.74,-.33,;-5.07,-1.1,;-6.4,-.33,;-7.74,-1.1,;-6.4,1.21,;-5.07,1.98,;-5.07,3.52,;-3.74,1.21,;-7.74,1.98,;-9.07,1.21,;-10.4,1.98,;-10.4,3.52,;-9.07,4.29,;-9.07,5.83,;-7.74,3.52,;-6.4,4.29,;1.67,-2.02,;1.99,-.51,;2.7,-3.16,;4.24,-3.16,)|
Cc1nc(cc(=O)n1-c1ccnc(Cl)c1)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(OC)c3F)[C@H](N)c2c1 |r,wD:34.37,(11.84,-3.55,;10.3,-3.55,;9.53,-4.88,;7.99,-4.88,;6.45,-4.88,;4.91,-4.88,;4.14,-6.21,;2.6,-6.21,;1.83,-4.88,;.32,-4.56,;.16,-3.03,;-1.17,-3.8,;-2.5,-3.03,;-2.5,-1.49,;-1.17,-.72,;.16,-1.49,;-3.84,-.72,;-5.17,-1.49,;-6.51,-.72,;-7.84,-1.49,;-6.51,.82,;-5.17,1.59,;-5.17,3.13,;-3.84,.82,;-7.84,1.59,;-9.17,.82,;-10.51,1.59,;-10.51,3.13,;-11.84,3.9,;-9.17,3.9,;-9.17,5.44,;-10.51,6.21,;-7.84,3.13,;-6.51,3.9,;1.57,-2.4,;1.97,-.91,;2.6,-3.55,;4.14,-3.55,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
Cc1nc(cc(=O)n1-c1cccc2[nH]ncc12)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:28.33,(-3.34,4.29,;-3.34,2.75,;-2.01,1.98,;-2.01,.44,;-3.34,-.33,;-4.68,.44,;-6.01,-.33,;-4.68,1.98,;-6.01,2.75,;-6.01,4.29,;-7.34,5.06,;-8.68,4.29,;-8.68,2.75,;-9.82,1.72,;-9.19,.31,;-7.66,.47,;-7.34,1.98,;-.67,-.33,;-.67,-1.87,;.66,-2.64,;1.99,-1.87,;2.15,-3.4,;3.66,-3.72,;4.43,-5.06,;5.97,-5.06,;6.74,-3.72,;5.97,-2.39,;4.43,-2.39,;3.4,-1.25,;3.8,.24,;8.28,-3.72,;9.82,-3.72,;1.99,-.33,;.66,.44,)|
Cc1nc(cc(=O)n1-c1cccc(F)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:27.31,(-3.91,3.52,;-3.91,1.98,;-2.58,1.21,;-2.58,-.33,;-3.91,-1.1,;-5.25,-.33,;-6.58,-1.1,;-5.25,1.21,;-6.58,1.98,;-7.91,1.21,;-9.25,1.98,;-9.25,3.52,;-7.91,4.29,;-7.91,5.83,;-6.58,3.52,;-5.25,4.29,;-1.25,-1.1,;-1.25,-2.64,;.09,-3.41,;1.42,-2.64,;1.58,-4.17,;3.09,-4.49,;3.86,-5.83,;5.4,-5.83,;6.17,-4.49,;5.4,-3.16,;3.86,-3.16,;2.83,-2.02,;3.23,-.53,;7.71,-4.49,;9.25,-4.49,;1.42,-1.1,;.09,-.33,)|
COc1c(F)ccc(c1F)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#CCN(C)C)CC1 |r,wD:29.33,(-10.51,6.21,;-9.17,5.44,;-9.17,3.9,;-10.51,3.13,;-11.84,3.9,;-10.51,1.59,;-9.17,.82,;-7.84,1.59,;-7.84,3.13,;-6.51,3.9,;-6.51,.82,;-5.17,1.59,;-5.17,3.13,;-3.84,.82,;-3.84,-.72,;-5.17,-1.49,;-6.51,-.72,;-7.84,-1.49,;-2.5,-1.49,;-2.5,-3.03,;-1.17,-3.8,;.16,-3.03,;.32,-4.56,;1.83,-4.88,;2.6,-6.21,;4.14,-6.21,;4.91,-4.88,;4.14,-3.55,;2.6,-3.55,;1.57,-2.4,;1.97,-.91,;6.45,-4.88,;7.99,-4.88,;9.53,-4.88,;10.3,-3.55,;11.84,-3.55,;9.53,-2.21,;.16,-1.49,;-1.17,-.72,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1)N1CCC2(CC1)Oc1cc(ccc1[C@H]2N)C#C |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)[C@H](N)c2c1 |r|
CCOc1cccc(c1Cl)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:29.33,(-9.92,5.44,;-8.58,6.21,;-7.25,5.44,;-7.25,3.9,;-8.58,3.13,;-8.58,1.59,;-7.25,.82,;-5.91,1.59,;-5.91,3.13,;-4.58,3.9,;-4.58,.82,;-3.25,1.59,;-3.25,3.13,;-1.91,.82,;-1.91,-.72,;-3.25,-1.49,;-4.58,-.72,;-5.91,-1.49,;-.58,-1.49,;-.58,-3.03,;.75,-3.8,;2.09,-3.03,;2.25,-4.56,;3.76,-4.88,;4.53,-6.21,;6.07,-6.21,;6.84,-4.88,;6.07,-3.55,;4.53,-3.55,;3.49,-2.4,;3.89,-.91,;8.38,-4.88,;9.92,-4.88,;2.09,-1.49,;.75,-.72,)|
CN(C)CC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cc(Cl)ccc3Cl)[C@H](N)c2c1 |r,wD:33.36,(11.84,-2.39,;10.3,-2.39,;9.53,-1.06,;9.53,-3.72,;7.99,-3.72,;6.45,-3.72,;4.91,-3.72,;4.14,-5.06,;2.6,-5.06,;1.83,-3.72,;.32,-3.4,;.16,-1.87,;-1.17,-2.64,;-2.5,-1.87,;-2.5,-.33,;-1.17,.44,;.16,-.33,;-3.84,.44,;-5.17,-.33,;-6.51,.44,;-7.84,-.33,;-6.51,1.98,;-5.17,2.75,;-5.17,4.29,;-3.84,1.98,;-7.84,2.75,;-9.17,1.98,;-10.51,2.75,;-11.84,1.98,;-10.51,4.29,;-9.17,5.06,;-7.84,4.29,;-6.51,5.06,;1.57,-1.25,;1.97,.24,;2.6,-2.39,;4.14,-2.39,)|
Cc1nc(cc(=O)n1-c1ccccc1)N1CCC2(CC1)Oc1cc(ccc1[C@H]2N)C#C |r|
Cc1nc(cc(=O)n1-c1ccc(F)cc1F)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:27.31,(-3.25,4.29,;-3.25,2.75,;-1.91,1.98,;-1.91,.44,;-3.25,-.33,;-4.58,.44,;-5.91,-.33,;-4.58,1.98,;-5.91,2.75,;-7.25,1.98,;-8.58,2.75,;-8.58,4.29,;-9.92,5.06,;-7.25,5.06,;-5.91,4.29,;-4.58,5.06,;-.58,-.33,;-.58,-1.87,;.75,-2.64,;2.09,-1.87,;2.25,-3.4,;3.76,-3.72,;4.53,-5.06,;6.07,-5.06,;6.84,-3.72,;6.07,-2.39,;4.53,-2.39,;3.49,-1.25,;3.89,.24,;8.38,-3.72,;9.92,-3.72,;2.09,-.33,;.75,.44,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccc(Nc4cnn(C)c4)cc3[C@H]2N)CC1 |r,wD:34.39,(-4.45,3.52,;-4.45,1.98,;-3.12,1.21,;-3.12,-.33,;-4.45,-1.1,;-5.79,-.33,;-7.12,-1.1,;-5.79,1.21,;-7.12,1.98,;-8.46,1.21,;-9.79,1.98,;-9.79,3.52,;-8.46,4.29,;-8.46,5.83,;-7.12,3.52,;-5.79,4.29,;-1.79,-1.1,;-1.79,-2.64,;-.45,-3.41,;.88,-2.64,;1.04,-4.17,;2.55,-4.49,;3.32,-5.83,;4.86,-5.83,;5.63,-4.49,;7.17,-4.49,;7.94,-3.16,;9.47,-3,;9.79,-1.49,;8.46,-.72,;8.06,.76,;7.31,-1.75,;4.86,-3.16,;3.32,-3.16,;2.29,-2.02,;2.69,-.53,;.88,-1.1,;-.45,-.33,)|
Cc1nc(cc(=O)n1-c1cc(Cl)ccc1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#CCO)CC1 |r,wD:27.31,(-4.4,4.29,;-4.4,2.75,;-3.07,1.98,;-3.07,.44,;-4.4,-.33,;-5.74,.44,;-7.07,-.33,;-5.74,1.98,;-7.07,2.75,;-8.4,1.98,;-9.74,2.75,;-11.07,1.98,;-9.74,4.29,;-8.4,5.06,;-7.07,4.29,;-5.74,5.06,;-1.73,-.33,;-1.73,-1.87,;-.4,-2.64,;.93,-1.87,;1.09,-3.4,;2.6,-3.72,;3.37,-5.06,;4.91,-5.06,;5.68,-3.72,;4.91,-2.39,;3.37,-2.39,;2.34,-1.25,;2.74,.24,;7.22,-3.72,;8.76,-3.72,;10.3,-3.72,;11.07,-2.39,;.93,-.33,;-.4,.44,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3cc(ccc3[C@H]2N)C#C)CC1 |r,wD:27.31,(-2.76,4.85,;-2.76,3.31,;-1.43,2.54,;-1.43,1,;-2.76,.23,;-4.09,1,;-5.43,.23,;-4.09,2.54,;-5.43,3.31,;-6.76,2.54,;-8.09,3.31,;-8.09,4.85,;-6.76,5.62,;-6.76,7.16,;-5.43,4.85,;-4.09,5.62,;-.09,.23,;-.09,-1.31,;1.24,-2.08,;2.58,-1.31,;2.74,-2.84,;4.24,-3.16,;5.01,-4.49,;6.55,-4.49,;7.32,-3.16,;6.55,-1.83,;5.01,-1.83,;3.98,-.68,;4.3,.82,;7.32,-5.83,;8.09,-7.16,;2.58,.23,;1.24,1,)|
Cc1nc(cc(=O)n1-c1ccccc1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:26.30,(-3.91,4.29,;-3.91,2.75,;-2.58,1.98,;-2.58,.44,;-3.91,-.33,;-5.25,.44,;-6.58,-.33,;-5.25,1.98,;-6.58,2.75,;-7.91,1.98,;-9.25,2.75,;-9.25,4.29,;-7.91,5.06,;-6.58,4.29,;-5.25,5.06,;-1.25,-.33,;-1.25,-1.87,;.09,-2.64,;1.42,-1.87,;1.58,-3.4,;3.09,-3.72,;3.86,-5.06,;5.4,-5.06,;6.17,-3.72,;5.4,-2.39,;3.86,-2.39,;2.83,-1.25,;3.23,.24,;7.71,-3.72,;9.25,-3.72,;1.42,-.33,;.09,.44,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:27.31,(-3.91,3.52,;-3.91,1.98,;-2.58,1.21,;-2.58,-.33,;-3.91,-1.1,;-5.25,-.33,;-6.58,-1.1,;-5.25,1.21,;-6.58,1.98,;-7.91,1.21,;-9.25,1.98,;-9.25,3.52,;-7.91,4.29,;-7.91,5.83,;-6.58,3.52,;-5.25,4.29,;-1.25,-1.1,;-1.25,-2.64,;.09,-3.41,;1.42,-2.64,;1.58,-4.17,;3.09,-4.49,;3.86,-5.83,;5.4,-5.83,;6.17,-4.49,;5.4,-3.16,;3.86,-3.16,;2.83,-2.02,;3.23,-.53,;7.71,-4.49,;9.25,-4.49,;1.42,-1.1,;.09,-.33,)|
COCC#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)[C@H](N)c2c1 |r|
Cc1nc(cc(=O)n1-c1ccc(F)c(F)c1)N1CCC2(Cc3cc(ccc3[C@H]2N)C#C)CC1 |r|
COc1cccc(c1)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1F)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:27.31,(-3.91,3.52,;-3.91,1.98,;-2.58,1.21,;-2.58,-.33,;-3.91,-1.1,;-5.25,-.33,;-6.58,-1.1,;-5.25,1.21,;-6.58,1.98,;-7.91,1.21,;-9.25,1.98,;-9.25,3.52,;-7.91,4.29,;-7.91,5.83,;-6.58,3.52,;-5.25,4.29,;-1.25,-1.1,;-1.25,-2.64,;.09,-3.41,;1.42,-2.64,;1.58,-4.17,;3.09,-4.49,;3.86,-5.83,;5.4,-5.83,;6.17,-4.49,;5.4,-3.16,;3.86,-3.16,;2.83,-2.02,;3.23,-.53,;7.71,-4.49,;9.25,-4.49,;1.42,-1.1,;.09,-.33,)|
COCC#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)n4)nc3CO)[C@H](N)c2c1 |r|
Cc1nc(cc(=O)n1-c1ccc(Cl)cc1)N1CCC2(Cc3cc(ccc3[C@H]2N)C#C)CC1 |r|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1F)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:27.31,(-3.25,4.29,;-3.25,2.75,;-1.91,1.98,;-1.91,.44,;-3.25,-.33,;-4.58,.44,;-5.91,-.33,;-4.58,1.98,;-5.91,2.75,;-5.91,4.29,;-7.25,5.06,;-8.58,4.29,;-8.58,2.75,;-9.92,1.98,;-7.25,1.98,;-7.25,.44,;-.58,-.33,;-.58,-1.87,;.75,-2.64,;2.09,-1.87,;2.25,-3.4,;3.76,-3.72,;4.53,-5.06,;6.07,-5.06,;6.84,-3.72,;6.07,-2.39,;4.53,-2.39,;3.49,-1.25,;3.89,.24,;8.38,-3.72,;9.92,-3.72,;2.09,-.33,;.75,.44,)|
COc1c(F)ccc(c1F)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:29.33,(-10.58,2.75,;-9.25,1.98,;-7.91,2.75,;-7.91,4.29,;-9.25,5.06,;-6.58,5.06,;-5.25,4.29,;-5.25,2.75,;-6.58,1.98,;-6.58,.44,;-3.91,1.98,;-2.58,2.75,;-2.58,4.29,;-1.25,1.98,;-1.25,.44,;-2.58,-.33,;-3.91,.44,;-5.25,-.33,;.09,-.33,;.09,-1.87,;1.42,-2.64,;2.75,-1.87,;2.92,-3.4,;4.42,-3.72,;5.19,-5.06,;6.73,-5.06,;7.5,-3.72,;6.73,-2.39,;5.19,-2.39,;4.16,-1.25,;4.56,.24,;9.04,-3.72,;10.58,-3.72,;2.75,-.33,;1.42,.44,)|
COCCSc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(OC)c3F)[C@H](N)c2c1 |r,wD:34.37,(11.46,-2.21,;9.92,-2.21,;9.15,-3.55,;7.61,-3.55,;6.84,-4.88,;5.3,-4.88,;4.53,-6.21,;2.99,-6.21,;2.22,-4.88,;.71,-4.56,;.55,-3.03,;-.79,-3.8,;-2.12,-3.03,;-2.12,-1.49,;-.79,-.72,;.55,-1.49,;-3.45,-.72,;-4.79,-1.49,;-6.12,-.72,;-7.45,-1.49,;-6.12,.82,;-4.79,1.59,;-4.79,3.13,;-3.45,.82,;-7.45,1.59,;-8.79,.82,;-10.12,1.59,;-10.12,3.13,;-11.46,3.9,;-8.79,3.9,;-8.79,5.44,;-10.12,6.21,;-7.45,3.13,;-6.12,3.9,;1.95,-2.4,;2.35,-.91,;2.99,-3.55,;4.53,-3.55,)|
Cc1nc(cc(=O)n1-c1ccc(F)c(F)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:28.32,(-3.25,4.29,;-3.25,2.75,;-1.91,1.98,;-1.91,.44,;-3.25,-.33,;-4.58,.44,;-5.91,-.33,;-4.58,1.98,;-5.91,2.75,;-5.91,4.29,;-7.25,5.06,;-8.58,4.29,;-9.92,5.06,;-8.58,2.75,;-9.92,1.98,;-7.25,1.98,;-7.25,.44,;-.58,-.33,;-.58,-1.87,;.75,-2.64,;2.09,-1.87,;2.25,-3.4,;3.76,-3.72,;4.53,-5.06,;6.07,-5.06,;6.84,-3.72,;6.07,-2.39,;4.53,-2.39,;3.49,-1.25,;3.89,.24,;8.38,-3.72,;9.92,-3.72,;2.09,-.33,;.75,.44,)|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)n2)c(N)n1)C#C |r|
COc1cccc(c1Cl)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:28.32,(-9.25,6.21,;-7.91,5.44,;-7.91,3.9,;-9.25,3.13,;-9.25,1.59,;-7.91,.82,;-6.58,1.59,;-6.58,3.13,;-5.25,3.9,;-5.25,.82,;-3.91,1.59,;-3.91,3.13,;-2.58,.82,;-2.58,-.72,;-3.91,-1.49,;-5.25,-.72,;-6.58,-1.49,;-1.25,-1.49,;-1.25,-3.03,;.09,-3.8,;1.42,-3.03,;1.58,-4.56,;3.09,-4.88,;3.86,-6.21,;5.4,-6.21,;6.17,-4.88,;5.4,-3.55,;3.86,-3.55,;2.83,-2.4,;3.23,-.91,;7.71,-4.88,;9.25,-4.88,;1.42,-1.49,;.09,-.72,)|
CCOCC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(Cl)c3Cl)[C@H](N)c2c1 |r,wD:33.36,(11.56,-4.49,;10.79,-3.16,;9.25,-3.16,;8.48,-4.49,;6.94,-4.49,;5.4,-4.49,;3.86,-4.49,;3.09,-5.83,;1.55,-5.83,;.78,-4.49,;-.73,-4.17,;-.89,-2.64,;-2.22,-3.41,;-3.56,-2.64,;-3.56,-1.1,;-2.22,-.33,;-.89,-1.1,;-4.89,-.33,;-6.22,-1.1,;-7.56,-.33,;-8.89,-1.1,;-7.56,1.21,;-6.22,1.98,;-6.22,3.52,;-4.89,1.21,;-8.89,1.98,;-10.22,1.21,;-11.56,1.98,;-11.56,3.52,;-10.22,4.29,;-10.22,5.83,;-8.89,3.52,;-7.56,4.29,;.52,-2.02,;.92,-.53,;1.55,-3.16,;3.09,-3.16,)|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#CC(N)=O)CC1 |r,wD:27.31,(-5.07,3.52,;-5.07,1.98,;-3.74,1.21,;-3.74,-.33,;-5.07,-1.1,;-6.4,-.33,;-7.74,-1.1,;-6.4,1.21,;-7.74,1.98,;-9.07,1.21,;-10.4,1.98,;-10.4,3.52,;-9.07,4.29,;-9.07,5.83,;-7.74,3.52,;-6.4,4.29,;-2.4,-1.1,;-2.4,-2.64,;-1.07,-3.41,;.27,-2.64,;.43,-4.17,;1.93,-4.49,;2.7,-5.83,;4.24,-5.83,;5.01,-4.49,;4.24,-3.16,;2.7,-3.16,;1.67,-2.02,;2.07,-.53,;6.55,-4.49,;8.09,-4.49,;9.63,-4.49,;10.4,-5.83,;10.4,-3.16,;.27,-1.1,;-1.07,-.33,)|
CNCC#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)[C@H](N)c2c1 |r|
Cc1nc(N2CCC3(Cc4ccc(cc4[C@H]3N)C#C)CC2)c(C)c(=O)n1-c1ccc(F)cc1Cl |r,wD:15.17,(-3.25,4.29,;-3.25,2.75,;-1.91,1.98,;-1.91,.44,;-.58,-.33,;-.58,-1.87,;.75,-2.64,;2.09,-1.87,;2.25,-3.4,;3.76,-3.72,;4.53,-5.06,;6.07,-5.06,;6.84,-3.72,;6.07,-2.39,;4.53,-2.39,;3.49,-1.25,;3.89,.24,;8.38,-3.72,;9.92,-3.72,;2.09,-.33,;.75,.44,;-3.25,-.33,;-3.25,-1.87,;-4.58,.44,;-5.91,-.33,;-4.58,1.98,;-5.91,2.75,;-5.91,4.29,;-7.25,5.06,;-8.58,4.29,;-9.92,5.06,;-8.58,2.75,;-7.25,1.98,;-7.25,.44,)|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)n2)nc1CO)C#C |r|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12)C#CC(N)=O |r|
CCOc1ccc(c(Cl)c1)-n1c(C)nc(N2CCC3(Cc4ccc(cc4[C@H]3N)C#C)CC2)c(C)c1=O |r,wD:26.29,(-11.25,5.06,;-9.92,4.29,;-8.58,5.06,;-7.25,4.29,;-7.25,2.75,;-5.91,1.98,;-4.58,2.75,;-4.58,4.29,;-3.25,5.06,;-5.91,5.06,;-3.25,1.98,;-1.91,2.75,;-1.91,4.29,;-.58,1.98,;-.58,.44,;.75,-.33,;.75,-1.87,;2.09,-2.64,;3.42,-1.87,;3.58,-3.4,;5.09,-3.72,;5.86,-5.06,;7.4,-5.06,;8.17,-3.72,;7.4,-2.39,;5.86,-2.39,;4.83,-1.25,;5.23,.24,;9.71,-3.72,;11.25,-3.72,;3.42,-.33,;2.09,.44,;-1.91,-.33,;-1.91,-1.87,;-3.25,.44,;-4.58,-.33,)|
COCC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(OC)c3Cl)[C@H](N)c2c1 |r,wD:33.36,(11.17,-3.55,;9.63,-3.55,;8.86,-4.88,;7.32,-4.88,;5.78,-4.88,;4.24,-4.88,;3.47,-6.21,;1.93,-6.21,;1.16,-4.88,;-.34,-4.56,;-.5,-3.03,;-1.84,-3.8,;-3.17,-3.03,;-3.17,-1.49,;-1.84,-.72,;-.5,-1.49,;-4.51,-.72,;-5.84,-1.49,;-7.17,-.72,;-8.51,-1.49,;-7.17,.82,;-5.84,1.59,;-5.84,3.13,;-4.51,.82,;-8.51,1.59,;-9.84,.82,;-11.17,1.59,;-11.17,3.13,;-9.84,3.9,;-9.84,5.44,;-11.17,6.21,;-8.51,3.13,;-7.17,3.9,;.9,-2.4,;1.3,-.91,;1.93,-3.55,;3.47,-3.55,)|
COCC#Cc1ccc2CC3(CCN(CC3)c3nc(C)c(Sc4ccnc(N)n4)c4nccn34)[C@H](N)c2c1 |r|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1)C#CC(N)=O |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(cc3Cl)C#N)[C@H](N)c2c1 |r,wD:33.36,(12.51,-2.78,;10.97,-2.78,;10.2,-4.11,;8.66,-4.11,;7.12,-4.11,;5.58,-4.11,;4.81,-5.44,;3.27,-5.44,;2.5,-4.11,;.99,-3.79,;.83,-2.26,;-.5,-3.03,;-1.84,-2.26,;-1.84,-.72,;-.5,.05,;.83,-.72,;-3.17,.05,;-4.51,-.72,;-5.84,.05,;-7.17,-.72,;-5.84,1.59,;-4.51,2.36,;-4.51,3.9,;-3.17,1.59,;-7.17,2.36,;-8.51,1.59,;-9.84,2.36,;-9.84,3.9,;-8.51,4.67,;-7.17,3.9,;-5.84,4.67,;-11.17,4.67,;-12.51,5.44,;2.24,-1.63,;2.64,-.14,;3.27,-2.78,;4.81,-2.78,)|
Cc1nc(cc(=O)n1-c1cccc(c1Cl)C(F)(F)F)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:30.34,(-3.81,2.75,;-3.81,1.21,;-2.48,.44,;-2.48,-1.1,;-3.81,-1.87,;-5.14,-1.1,;-6.48,-1.87,;-5.14,.44,;-6.48,1.21,;-7.81,.44,;-9.15,1.21,;-9.15,2.75,;-7.85,3.62,;-6.48,2.75,;-5.14,3.52,;-7.87,5.16,;-7.89,6.7,;-6.33,5.18,;-9.41,5.14,;-1.14,-1.87,;-1.14,-3.41,;.19,-4.18,;1.52,-3.41,;1.69,-4.94,;3.19,-5.26,;3.96,-6.6,;5.5,-6.6,;6.27,-5.26,;5.5,-3.93,;3.96,-3.93,;2.93,-2.79,;3.33,-1.3,;7.81,-5.26,;9.35,-5.26,;1.52,-1.87,;.19,-1.1,)|
COCC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(-c4cccc(Cl)c4Cl)c(n3)C(F)(F)F)[C@H](N)c2c1 |r,wD:35.38,(11.17,-3.16,;9.63,-3.16,;8.86,-4.49,;7.32,-4.49,;5.78,-4.49,;4.24,-4.49,;3.47,-5.83,;1.93,-5.83,;1.16,-4.49,;-.34,-4.17,;-.5,-2.64,;-1.84,-3.41,;-3.17,-2.64,;-3.17,-1.1,;-1.84,-.33,;-.5,-1.1,;-4.51,-.33,;-5.84,-1.1,;-7.17,-.33,;-8.51,-1.1,;-7.17,1.21,;-8.51,1.98,;-9.84,1.21,;-11.17,1.98,;-11.17,3.52,;-9.84,4.29,;-9.84,5.83,;-8.51,3.52,;-7.17,4.29,;-5.8,2.08,;-4.51,1.21,;-5.78,3.62,;-5.76,5.16,;-7.32,3.64,;-4.24,3.6,;.9,-2.02,;1.3,-.53,;1.93,-3.16,;3.47,-3.16,)|
Cc1nc(cc(=O)n1-c1ccc(cc1Cl)C#N)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:28.32,(-2.58,3.9,;-2.58,2.36,;-1.25,1.59,;-1.25,.05,;-2.58,-.72,;-3.91,.05,;-5.25,-.72,;-3.91,1.59,;-5.25,2.36,;-6.58,1.59,;-7.91,2.36,;-7.91,3.9,;-6.58,4.67,;-5.25,3.9,;-3.91,4.67,;-9.25,4.67,;-10.58,5.44,;.09,-.72,;.09,-2.26,;1.42,-3.03,;2.75,-2.26,;2.92,-3.79,;4.42,-4.11,;5.19,-5.44,;6.73,-5.44,;7.5,-4.11,;6.73,-2.78,;5.19,-2.78,;4.16,-1.63,;4.56,-.14,;9.04,-4.11,;10.58,-4.11,;2.75,-.72,;1.42,.05,)|
Cc1nc(cc(=O)n1-c1ccccc1C(F)(F)F)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:29.33,(-3.91,3.58,;-3.91,2.04,;-2.58,1.27,;-2.58,-.27,;-3.91,-1.04,;-5.25,-.27,;-6.58,-1.04,;-5.25,1.27,;-6.58,2.04,;-7.91,1.27,;-9.25,2.04,;-9.25,3.58,;-7.91,4.35,;-6.47,3.61,;-5.13,4.36,;-3.78,5.11,;-4.37,3.02,;-5.88,5.7,;-1.25,-1.04,;-1.25,-2.58,;.09,-3.35,;1.42,-2.58,;1.58,-4.11,;3.09,-4.43,;3.86,-5.76,;5.4,-5.76,;6.17,-4.43,;5.4,-3.09,;3.86,-3.09,;2.83,-1.95,;3.23,-.46,;7.71,-4.43,;9.25,-4.43,;1.42,-1.04,;.09,-.27,)|
Cc1nc(cc(=O)n1-c1cccc(c1Cl)C(F)(F)F)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:30.34,(-2.58,4.29,;-2.58,2.75,;-1.25,1.98,;-1.25,.44,;-2.58,-.33,;-3.91,.44,;-5.25,-.33,;-3.91,1.98,;-5.25,2.75,;-5.25,4.29,;-6.58,5.06,;-7.91,4.29,;-7.96,2.72,;-6.58,1.98,;-6.58,.44,;-9.3,1.95,;-10.63,1.18,;-10.07,3.28,;-8.53,.62,;.09,-.33,;.09,-1.87,;1.42,-2.64,;2.75,-1.87,;2.92,-3.4,;4.42,-3.72,;5.19,-5.06,;6.73,-5.06,;7.5,-3.72,;6.73,-2.39,;5.19,-2.39,;4.16,-1.25,;4.56,.24,;9.04,-3.72,;10.58,-3.72,;2.75,-.33,;1.42,.44,)|
CC#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)[C@H](N)c2c1 |r|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1)C#C |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3ncc(-c4cn(C)c5ncccc45)c4nccn34)[C@H](N)c2c1 |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(C)n4)c4nccn34)[C@H](N)c2c1 |r|
COCC#Cc1cccc2[C@@H](N)C3(Cc12)CCN(CC3)c1cc(=O)n(c(C)n1)-c1cccc(Cl)c1Cl |r,wD:10.10,(3.09,-9.16,;3.86,-7.83,;3.09,-6.49,;3.86,-5.16,;4.63,-3.83,;5.4,-2.49,;6.94,-2.49,;7.71,-1.16,;6.94,.17,;5.4,.17,;4.37,1.32,;4.77,2.81,;2.96,.69,;3.12,-.84,;4.63,-1.16,;1.63,-.08,;.29,.69,;.29,2.23,;1.63,3,;2.96,2.23,;-1.04,3,;-2.37,2.23,;-3.71,3,;-5.04,2.23,;-3.71,4.54,;-2.37,5.31,;-2.37,6.85,;-1.04,4.54,;-5.04,5.31,;-6.37,4.54,;-7.71,5.31,;-7.71,6.85,;-6.37,7.62,;-6.37,9.16,;-5.04,6.85,;-3.71,7.62,)|
Cc1nc(cc(=O)n1-c1ccc(F)c(Cl)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:28.32,(-3.25,4.29,;-3.25,2.75,;-1.91,1.98,;-1.91,.44,;-3.25,-.33,;-4.58,.44,;-5.91,-.33,;-4.58,1.98,;-5.91,2.75,;-5.91,4.29,;-7.25,5.06,;-8.58,4.29,;-9.92,5.06,;-8.58,2.75,;-9.92,1.98,;-7.25,1.98,;-7.25,.44,;-.58,-.33,;-.58,-1.87,;.75,-2.64,;2.09,-1.87,;2.25,-3.4,;3.76,-3.72,;4.53,-5.06,;6.07,-5.06,;6.84,-3.72,;6.07,-2.39,;4.53,-2.39,;3.49,-1.25,;3.89,.24,;8.38,-3.72,;9.92,-3.72,;2.09,-.33,;.75,.44,)|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1cc(=O)n(-c2cccc(Cl)c2Cl)c(n1)C(F)(F)F)C#C |r,wD:1.0,(3.23,-.53,;2.83,-2.02,;3.86,-3.16,;5.4,-3.16,;6.17,-4.49,;5.4,-5.83,;3.86,-5.83,;3.09,-4.49,;1.58,-4.17,;1.42,-2.64,;.09,-3.41,;-1.25,-2.64,;-1.25,-1.1,;.09,-.33,;1.42,-1.1,;-2.58,-.33,;-3.91,-1.1,;-5.25,-.33,;-6.58,-1.1,;-5.25,1.21,;-6.58,1.98,;-7.91,1.21,;-9.25,1.98,;-9.25,3.52,;-7.91,4.29,;-7.91,5.83,;-6.58,3.52,;-5.25,4.29,;-3.88,2.08,;-2.58,1.21,;-3.86,3.62,;-3.84,5.16,;-5.4,3.64,;-2.32,3.6,;7.71,-4.49,;9.25,-4.49,)|
CSc1ccccc1-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:27.31,(-5.25,5.83,;-5.25,4.29,;-6.58,3.52,;-7.91,4.29,;-9.25,3.52,;-9.25,1.98,;-7.91,1.21,;-6.58,1.98,;-5.25,1.21,;-3.91,1.98,;-3.91,3.52,;-2.58,1.21,;-2.58,-.33,;-3.91,-1.1,;-5.25,-.33,;-6.58,-1.1,;-1.25,-1.1,;-1.25,-2.64,;.09,-3.41,;1.42,-2.64,;1.58,-4.17,;3.09,-4.49,;3.86,-5.83,;5.4,-5.83,;6.17,-4.49,;5.4,-3.16,;3.86,-3.16,;2.83,-2.02,;3.23,-.53,;7.71,-4.49,;9.25,-4.49,;1.42,-1.1,;.09,-.33,)|
COCC#Cc1cccc2[C@@H](N)C3(Cc12)CCN(CC3)c1ncc(Sc2ccnc(N)c2Cl)c2nccn12 |r|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)n2)nc1CO)C#CC(N)=O |r|
CC#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)n4)c(N)n3)[C@H](N)c2c1 |r|
COCCSc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)n4)c4nccn34)[C@H](N)c2c1 |r|
COc1cccc(c1Cl)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:28.32,(-10.58,2.75,;-9.25,1.98,;-7.91,2.75,;-7.91,4.29,;-6.58,5.06,;-5.25,4.29,;-5.25,2.75,;-6.58,1.98,;-6.58,.44,;-3.91,1.98,;-2.58,2.75,;-2.58,4.29,;-1.25,1.98,;-1.25,.44,;-2.58,-.33,;-3.91,.44,;-5.25,-.33,;.09,-.33,;.09,-1.87,;1.42,-2.64,;2.75,-1.87,;2.92,-3.4,;4.42,-3.72,;5.19,-5.06,;6.73,-5.06,;7.5,-3.72,;6.73,-2.39,;5.19,-2.39,;4.16,-1.25,;4.56,.24,;9.04,-3.72,;10.58,-3.72,;2.75,-.33,;1.42,.44,)|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)nc1CO)C#CC(N)=O |r|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3c(cc(cc3F)C#C)[C@H]2N)CC1 |r,wD:30.34,(-3.91,4.18,;-3.91,2.64,;-2.58,1.87,;-2.58,.33,;-3.91,-.44,;-5.25,.33,;-6.58,-.44,;-5.25,1.87,;-6.58,2.64,;-7.91,1.87,;-9.25,2.64,;-9.25,4.18,;-7.91,4.95,;-7.91,6.49,;-6.58,4.18,;-5.25,4.95,;-1.25,-.44,;-1.25,-1.98,;.09,-2.75,;1.42,-1.98,;1.58,-3.51,;3.09,-3.83,;3.86,-2.49,;5.4,-2.49,;6.17,-3.83,;5.4,-5.16,;3.86,-5.16,;3.09,-6.49,;7.71,-3.83,;9.25,-3.83,;2.83,-1.35,;3.23,.14,;1.42,-.44,;.09,.33,)|
COCCSc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(Cl)c3Cl)[C@H](N)c2c1 |r,wD:32.35,(10.79,-1.83,;9.25,-1.83,;8.48,-3.16,;6.94,-3.16,;6.17,-4.49,;4.63,-4.49,;3.86,-5.83,;2.32,-5.83,;1.55,-4.49,;.04,-4.17,;-.12,-2.64,;-1.45,-3.41,;-2.79,-2.64,;-2.79,-1.1,;-1.45,-.33,;-.12,-1.1,;-4.12,-.33,;-5.45,-1.1,;-6.79,-.33,;-8.12,-1.1,;-6.79,1.21,;-5.45,1.98,;-5.45,3.52,;-4.12,1.21,;-8.12,1.98,;-9.45,1.21,;-10.79,1.98,;-10.79,3.52,;-9.45,4.29,;-9.45,5.83,;-8.12,3.52,;-6.79,4.29,;1.29,-2.02,;1.69,-.53,;2.32,-3.16,;3.86,-3.16,)|
COCC#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)n4)c(N)n3)[C@H](N)c2c1 |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(Cl)c3Cl)[C@H](N)c2c1 |r,wD:33.36,(11.84,-3.16,;10.3,-3.16,;9.53,-4.49,;7.99,-4.49,;6.45,-4.49,;4.91,-4.49,;4.14,-5.83,;2.6,-5.83,;1.83,-4.49,;.32,-4.17,;.16,-2.64,;-1.17,-3.41,;-2.5,-2.64,;-2.5,-1.1,;-1.17,-.33,;.16,-1.1,;-3.84,-.33,;-5.17,-1.1,;-6.51,-.33,;-7.84,-1.1,;-6.51,1.21,;-5.17,1.98,;-5.17,3.52,;-3.84,1.21,;-7.84,1.98,;-9.17,1.21,;-10.51,1.98,;-10.51,3.52,;-11.84,4.29,;-9.17,4.29,;-9.17,5.83,;-7.84,3.52,;-6.51,4.29,;1.57,-2.02,;1.97,-.53,;2.6,-3.16,;4.14,-3.16,)|
COCC#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)[C@H](N)c2c1 |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)n4)c4nccn34)[C@H](N)c2c1 |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(Cl)c3Cl)[C@H](N)c2c1 |r,wD:33.36,(11.84,-2.39,;10.3,-2.39,;9.53,-3.72,;7.99,-3.72,;6.45,-3.72,;4.91,-3.72,;4.14,-5.06,;2.6,-5.06,;1.83,-3.72,;.32,-3.4,;.16,-1.87,;-1.17,-2.64,;-2.5,-1.87,;-2.5,-.33,;-1.17,.44,;.16,-.33,;-3.84,.44,;-5.17,-.33,;-6.51,.44,;-7.84,-.33,;-6.51,1.98,;-5.17,2.75,;-5.17,4.29,;-3.84,1.98,;-7.84,2.75,;-7.84,4.29,;-9.17,5.06,;-10.51,4.29,;-11.84,5.06,;-10.51,2.75,;-11.84,1.98,;-9.17,1.98,;-9.17,.44,;1.57,-1.25,;1.97,.24,;2.6,-2.39,;4.14,-2.39,)|
COCC#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)c4ncnn34)[C@H](N)c2c1 |r|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)cn3)[C@H](N)c2c1 |r|
Cc1nc(cc(=O)n1-c1ccc(C#N)c(Cl)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:29.33,(-2.58,3.9,;-2.58,2.36,;-1.25,1.59,;-1.25,.05,;-2.58,-.72,;-3.91,.05,;-5.25,-.72,;-3.91,1.59,;-5.25,2.36,;-5.25,3.9,;-6.58,4.67,;-7.91,3.9,;-9.25,4.67,;-10.58,5.44,;-7.91,2.36,;-9.25,1.59,;-6.58,1.59,;-6.58,.05,;.09,-.72,;.09,-2.26,;1.42,-3.03,;2.75,-2.26,;2.92,-3.79,;4.42,-4.11,;5.19,-5.44,;6.73,-5.44,;7.5,-4.11,;6.73,-2.78,;5.19,-2.78,;4.16,-1.63,;4.56,-.14,;9.04,-4.11,;10.58,-4.11,;2.75,-.72,;1.42,.05,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4cccnc4Cl)cn3)[C@H](N)c2c1 |r|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4c(F)cnc(N)c4Cl)cn3)[C@H](N)c2c1 |r|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)n2nccc12)C#C |r|
CN(C)C(=O)C#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(Cl)c3Cl)[C@H](N)c2c1 |r,wD:34.37,(8.86,-6.49,;9.63,-5.16,;11.17,-5.16,;8.86,-3.83,;9.63,-2.49,;7.32,-3.83,;5.78,-3.83,;4.24,-3.83,;3.47,-5.16,;1.93,-5.16,;1.16,-3.83,;-.34,-3.51,;-.5,-1.98,;-1.84,-2.75,;-3.17,-1.98,;-3.17,-.44,;-1.84,.33,;-.5,-.44,;-4.51,.33,;-5.84,-.44,;-7.17,.33,;-8.51,-.44,;-7.17,1.87,;-5.84,2.64,;-5.84,4.18,;-4.51,1.87,;-8.51,2.64,;-9.84,1.87,;-11.17,2.64,;-11.17,4.18,;-9.84,4.95,;-9.84,6.49,;-8.51,4.18,;-7.17,4.95,;.9,-1.35,;1.3,.14,;1.93,-2.49,;3.47,-2.49,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)nc3C)[C@H](N)c2c1 |r|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)cn1)C#CC(N)=O |r|
COc1c(F)ccc(c1Cl)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:29.33,(-8.58,6.21,;-7.25,5.44,;-7.25,3.9,;-8.58,3.13,;-9.92,3.9,;-8.58,1.59,;-7.25,.82,;-5.91,1.59,;-5.91,3.13,;-4.58,3.9,;-4.58,.82,;-3.25,1.59,;-3.25,3.13,;-1.91,.82,;-1.91,-.72,;-3.25,-1.49,;-4.58,-.72,;-5.91,-1.49,;-.58,-1.49,;-.58,-3.03,;.75,-3.8,;2.09,-3.03,;2.25,-4.56,;3.76,-4.88,;4.53,-6.21,;6.07,-6.21,;6.84,-4.88,;6.07,-3.55,;4.53,-3.55,;3.49,-2.4,;3.89,-.91,;8.38,-4.88,;9.92,-4.88,;2.09,-1.49,;.75,-.72,)|
CN(C)C(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(C)n(-c4cccc(Cl)c4Cl)c(=O)c3C)[C@H](N)c2c1 |r,wD:35.38,(8.86,-6.49,;9.63,-5.16,;11.17,-5.16,;8.86,-3.83,;9.63,-2.49,;7.32,-3.83,;5.78,-3.83,;4.24,-3.83,;3.47,-5.16,;1.93,-5.16,;1.16,-3.83,;-.34,-3.51,;-.5,-1.98,;-1.84,-2.75,;-3.17,-1.98,;-3.17,-.44,;-1.84,.33,;-.5,-.44,;-4.51,.33,;-4.51,1.87,;-5.84,2.64,;-5.84,4.18,;-7.17,1.87,;-8.51,2.64,;-9.84,1.87,;-11.17,2.64,;-11.17,4.18,;-9.84,4.95,;-9.84,6.49,;-8.51,4.18,;-7.17,4.95,;-7.17,.33,;-8.51,-.44,;-5.84,-.44,;-5.84,-1.98,;.9,-1.35,;1.3,.14,;1.93,-2.49,;3.47,-2.49,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)n4)nc3C)[C@H](N)c2c1 |r|
Cc1nc(Sc2ccnc(N)c2Cl)cnc1N1CCC2(Cc3ccc(cc3[C@H]2N)C#CC(N)=O)CC1 |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(OC)c3Cl)[C@H](N)c2c1 |r,wD:34.37,(11.84,-3.55,;10.3,-3.55,;9.53,-4.88,;7.99,-4.88,;6.45,-4.88,;4.91,-4.88,;4.14,-6.21,;2.6,-6.21,;1.83,-4.88,;.32,-4.56,;.16,-3.03,;-1.17,-3.8,;-2.5,-3.03,;-2.5,-1.49,;-1.17,-.72,;.16,-1.49,;-3.84,-.72,;-5.17,-1.49,;-6.51,-.72,;-7.84,-1.49,;-6.51,.82,;-5.17,1.59,;-5.17,3.13,;-3.84,.82,;-7.84,1.59,;-9.17,.82,;-10.51,1.59,;-10.51,3.13,;-11.84,3.9,;-9.17,3.9,;-9.17,5.44,;-10.51,6.21,;-7.84,3.13,;-6.51,3.9,;1.57,-2.4,;1.97,-.91,;2.6,-3.55,;4.14,-3.55,)|
CN(C)C(=O)C#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)n4nccc34)[C@H](N)c2c1 |r|
CC#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)nn3)[C@H](N)c2c1 |r|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)c(n3)C#N)[C@H](N)c2c1 |r|
COc1ccc(CN(CC#Cc2ccc3CC4(CCN(CC4)c4cnc(Sc5ccnc(N)c5Cl)c(N)n4)[C@H](N[S@](=O)C(C)(C)C)c3c2)C#N)cc1 |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(C#N)c(OC)c3F)[C@H](N)c2c1 |r,wD:35.38,(12.51,-3.55,;10.97,-3.55,;10.2,-4.88,;8.66,-4.88,;7.12,-4.88,;5.58,-4.88,;4.81,-6.21,;3.27,-6.21,;2.5,-4.88,;.99,-4.56,;.83,-3.03,;-.5,-3.8,;-1.84,-3.03,;-1.84,-1.49,;-.5,-.72,;.83,-1.49,;-3.17,-.72,;-4.51,-1.49,;-5.84,-.72,;-7.17,-1.49,;-5.84,.82,;-4.51,1.59,;-4.51,3.13,;-3.17,.82,;-7.17,1.59,;-8.51,.82,;-9.84,1.59,;-9.84,3.13,;-11.17,3.9,;-12.51,4.67,;-8.51,3.9,;-8.51,5.44,;-9.84,6.21,;-7.17,3.13,;-5.84,3.9,;2.24,-2.4,;2.64,-.91,;3.27,-3.55,;4.81,-3.55,)|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)[C@H](N)c2c1 |r|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4cc(F)nc(N)c4Cl)cn3)[C@H](N)c2c1 |r|
COCC#Cc1cc2[C@@H](N)C3(Cc2c(F)c1)CCN(CC3)c1nc(C)n(-c2cccc(Cl)c2Cl)c(=O)c1C |r,wD:8.8,(11.17,-2.49,;9.63,-2.49,;8.86,-3.83,;7.32,-3.83,;5.78,-3.83,;4.24,-3.83,;3.47,-2.49,;1.93,-2.49,;.9,-1.35,;1.3,.14,;-.5,-1.98,;-.34,-3.51,;1.16,-3.83,;1.93,-5.16,;1.16,-6.49,;3.47,-5.16,;-1.84,-2.75,;-3.17,-1.98,;-3.17,-.44,;-1.84,.33,;-.5,-.44,;-4.51,.33,;-4.51,1.87,;-5.84,2.64,;-5.84,4.18,;-7.17,1.87,;-8.51,2.64,;-9.84,1.87,;-11.17,2.64,;-11.17,4.18,;-9.84,4.95,;-9.84,6.49,;-8.51,4.18,;-7.17,4.95,;-7.17,.33,;-8.51,-.44,;-5.84,-.44,;-5.84,-1.98,)|
Cc1nc(cc(=O)n1-c1ccc(C#N)c(F)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:29.33,(-2.58,3.52,;-2.58,1.98,;-1.25,1.21,;-1.25,-.33,;-2.58,-1.1,;-3.91,-.33,;-5.25,-1.1,;-3.91,1.21,;-5.25,1.98,;-6.58,1.21,;-7.91,1.98,;-7.91,3.52,;-9.25,4.29,;-10.58,5.06,;-6.58,4.29,;-6.58,5.83,;-5.25,3.52,;-3.91,4.29,;.09,-1.1,;.09,-2.64,;1.42,-3.41,;2.75,-2.64,;2.92,-4.17,;4.42,-4.49,;5.19,-5.83,;6.73,-5.83,;7.5,-4.49,;6.73,-3.16,;5.19,-3.16,;4.16,-2.02,;4.56,-.53,;9.04,-4.49,;10.58,-4.49,;2.75,-1.1,;1.42,-.33,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)[C@H](N)c2c1 |r|
Cc1nc(Sc2ccnc(N)c2F)c(N)nc1N1CCC2(Cc3ccc(cc3[C@H]2N)C#CC(N)=O)CC1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(C)c(Sc4ccnc(N)c4Cl)nc3CO)[C@H](N)c2c1 |r|
CCCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(N)c(Sc4ccnc(N)c4Cl)nc3C)[C@H](N)c2c1 |r|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2F)c(N)n1)C#CC(N)=O |r|
COc1c(F)ccc(c1Cl)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:29.33,(-10.58,2.75,;-9.25,1.98,;-7.91,2.75,;-7.91,4.29,;-9.25,5.06,;-6.58,5.06,;-5.25,4.29,;-5.25,2.75,;-6.58,1.98,;-6.58,.44,;-3.91,1.98,;-2.58,2.75,;-2.58,4.29,;-1.25,1.98,;-1.25,.44,;-2.58,-.33,;-3.91,.44,;-5.25,-.33,;.09,-.33,;.09,-1.87,;1.42,-2.64,;2.75,-1.87,;2.92,-3.4,;4.42,-3.72,;5.19,-5.06,;6.73,-5.06,;7.5,-3.72,;6.73,-2.39,;5.19,-2.39,;4.16,-1.25,;4.56,.24,;9.04,-3.72,;10.58,-3.72,;2.75,-.33,;1.42,.44,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(OC)c3Cl)[C@H](N)c2c1 |r,wD:35.38,(11.84,-6.21,;10.3,-6.21,;9.53,-4.88,;10.3,-3.55,;7.99,-4.88,;6.45,-4.88,;4.91,-4.88,;4.14,-6.21,;2.6,-6.21,;1.83,-4.88,;.32,-4.56,;.16,-3.03,;-1.17,-3.8,;-2.5,-3.03,;-2.5,-1.49,;-1.17,-.72,;.16,-1.49,;-3.84,-.72,;-5.17,-1.49,;-6.51,-.72,;-7.84,-1.49,;-6.51,.82,;-5.17,1.59,;-5.17,3.13,;-3.84,.82,;-7.84,1.59,;-9.17,.82,;-10.51,1.59,;-10.51,3.13,;-11.84,3.9,;-9.17,3.9,;-9.17,5.44,;-10.51,6.21,;-7.84,3.13,;-6.51,3.9,;1.57,-2.4,;1.97,-.91,;2.6,-3.55,;4.14,-3.55,)|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4cccnc4Cl)c(N)n3)[C@H](N)c2c1 |r|
Cc1nc(Sc2ccnc(N)c2Cl)c(N)nc1N1CCC2(Cc3ccc(cc3[C@H]2N)C#CC(N)=O)CC1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(OC)c3Cl)[C@H](N)c2c1 |r,wD:35.38,(12.51,-5.06,;10.97,-5.06,;10.2,-3.72,;10.97,-2.39,;8.66,-3.72,;7.12,-3.72,;5.58,-3.72,;4.81,-5.06,;3.27,-5.06,;2.5,-3.72,;.99,-3.4,;.83,-1.87,;-.5,-2.64,;-1.84,-1.87,;-1.84,-.33,;-.5,.44,;.83,-.33,;-3.17,.44,;-4.5,-.33,;-5.84,.44,;-7.17,-.33,;-5.84,1.98,;-4.5,2.75,;-4.5,4.29,;-3.17,1.98,;-7.17,2.75,;-7.17,4.29,;-8.51,5.06,;-9.84,4.29,;-11.17,5.06,;-9.84,2.75,;-11.17,1.98,;-12.51,2.75,;-8.51,1.98,;-8.51,.44,;2.24,-1.25,;2.64,.24,;3.27,-2.39,;4.81,-2.39,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(N)c(Sc4ccnc(N)c4Cl)nc3F)[C@H](N)c2c1 |r|
Cc1nc(cnc1Sc1ccnc(N)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#CC(N)=O)CC1 |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(OC)c3Cl)[C@H](N)c2c1 |r,wD:34.37,(12.51,-2.39,;10.97,-2.39,;10.2,-3.72,;8.66,-3.72,;7.12,-3.72,;5.58,-3.72,;4.81,-5.06,;3.27,-5.06,;2.5,-3.72,;.99,-3.4,;.83,-1.87,;-.5,-2.64,;-1.84,-1.87,;-1.84,-.33,;-.5,.44,;.83,-.33,;-3.17,.44,;-4.5,-.33,;-5.84,.44,;-7.17,-.33,;-5.84,1.98,;-4.5,2.75,;-4.5,4.29,;-3.17,1.98,;-7.17,2.75,;-7.17,4.29,;-8.51,5.06,;-9.84,4.29,;-11.17,5.06,;-9.84,2.75,;-11.17,1.98,;-12.51,2.75,;-8.51,1.98,;-8.51,.44,;2.24,-1.25,;2.63,.24,;3.27,-2.39,;4.81,-2.39,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(F)c3Cl)[C@H](N)c2c1 |r,wD:34.37,(11.84,-5.83,;10.3,-5.83,;9.53,-4.49,;10.3,-3.16,;7.99,-4.49,;6.45,-4.49,;4.91,-4.49,;4.14,-5.83,;2.6,-5.83,;1.83,-4.49,;.32,-4.17,;.16,-2.64,;-1.17,-3.41,;-2.5,-2.64,;-2.5,-1.1,;-1.17,-.33,;.16,-1.1,;-3.84,-.33,;-5.17,-1.1,;-6.51,-.33,;-7.84,-1.1,;-6.51,1.21,;-5.17,1.98,;-5.17,3.52,;-3.84,1.21,;-7.84,1.98,;-9.17,1.21,;-10.51,1.98,;-10.51,3.52,;-11.84,4.29,;-9.17,4.29,;-9.17,5.83,;-7.84,3.52,;-6.51,4.29,;1.57,-2.02,;1.97,-.53,;2.6,-3.16,;4.14,-3.16,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(N)c(Sc4ccnc(N)c4Cl)nc3Br)[C@H](N)c2c1 |r|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)nc3C#N)[C@H](N)c2c1 |r|
Cc1nc(N2CCC3(Cc4ccc(cc4[C@H]3N)C#C)CC2)c(F)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:15.17,(-3.91,3.52,;-3.91,1.98,;-2.58,1.21,;-2.58,-.33,;-1.25,-1.1,;-1.25,-2.64,;.09,-3.41,;1.42,-2.64,;1.58,-4.17,;3.09,-4.49,;3.86,-5.83,;5.4,-5.83,;6.17,-4.49,;5.4,-3.16,;3.86,-3.16,;2.83,-2.02,;3.23,-.53,;7.71,-4.49,;9.25,-4.49,;1.42,-1.1,;.09,-.33,;-3.91,-1.1,;-3.91,-2.64,;-5.25,-.33,;-6.58,-1.1,;-5.25,1.21,;-6.58,1.98,;-7.91,1.21,;-9.25,1.98,;-9.25,3.52,;-7.91,4.29,;-7.91,5.83,;-6.58,3.52,;-5.25,4.29,)|
CN(C)C(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(N)c(Sc4ccnc(N)c4Cl)nc3C)[C@H](N)c2c1 |r|
Cc1nc(Sc2ccnc(N)c2Cl)c(N)nc1N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)cn1)C#CC(O)=O |r|
COCC#Cc1cc2[C@@H](N)C3(Cc2c(F)c1)CCN(CC3)c1cc(=O)n(c(C)n1)-c1cccc(Cl)c1Cl |r,wD:8.8,(11.17,-2.49,;9.63,-2.49,;8.86,-3.83,;7.32,-3.83,;5.78,-3.83,;4.24,-3.83,;3.47,-2.49,;1.93,-2.49,;.9,-1.35,;1.3,.14,;-.5,-1.98,;-.34,-3.51,;1.16,-3.83,;1.93,-5.16,;1.16,-6.49,;3.47,-5.16,;-1.84,-2.75,;-3.17,-1.98,;-3.17,-.44,;-1.84,.33,;-.5,-.44,;-4.51,.33,;-5.84,-.44,;-7.17,.33,;-8.51,-.44,;-7.17,1.87,;-5.84,2.64,;-5.84,4.18,;-4.51,1.87,;-8.51,2.64,;-9.84,1.87,;-11.17,2.64,;-11.17,4.18,;-9.84,4.95,;-9.84,6.49,;-8.51,4.18,;-7.17,4.95,)|
COc1nccc(Sc2nc(C)c(nc2N)N2CCC3(Cc4ccc(cc4[C@H]3N)C#CC(=O)N(C)C)CC2)c1Cl |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4cccnc4C(F)(F)F)cn3)[C@H](N)c2c1 |r|
Cc1nc(cnc1Sc1cc(N)nc(Cl)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#CC(N)=O)CC1 |r|
Cc1nc(N2CCC3(Cc4c(cc(cc4F)C#C)[C@H]3N)CC2)c(F)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:18.20,(-3.91,4.18,;-3.91,2.64,;-2.58,1.87,;-2.58,.33,;-1.25,-.44,;-1.25,-1.98,;.09,-2.75,;1.42,-1.98,;1.58,-3.51,;3.09,-3.83,;3.86,-2.49,;5.4,-2.49,;6.17,-3.83,;5.4,-5.16,;3.86,-5.16,;3.09,-6.49,;7.71,-3.83,;9.25,-3.83,;2.83,-1.35,;3.23,.14,;1.42,-.44,;.09,.33,;-3.91,-.44,;-3.91,-1.98,;-5.25,.33,;-6.58,-.44,;-5.25,1.87,;-6.58,2.64,;-7.91,1.87,;-9.25,2.64,;-9.25,4.18,;-7.91,4.95,;-7.91,6.49,;-6.58,4.18,;-5.25,4.95,)|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)c(N)n1)C#C |r|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(cn3)N3CCCc4ncccc34)[C@H](N)c2c1 |r|
Cc1nc(cnc1Sc1ccnc(N)n1)N1CCC2(Cc3ccc(cc3[C@H]2N)C#CC(N)=O)CC1 |r|
Cc1nc(N2CCC3(Cc4c(cc(cc4F)C#C)[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:18.20,(-3.91,4.18,;-3.91,2.64,;-2.58,1.87,;-2.58,.33,;-1.25,-.44,;-1.25,-1.98,;.09,-2.75,;1.42,-1.98,;1.58,-3.51,;3.09,-3.83,;3.86,-2.49,;5.4,-2.49,;6.17,-3.83,;5.4,-5.16,;3.86,-5.16,;3.09,-6.49,;7.71,-3.83,;9.25,-3.83,;2.83,-1.35,;3.23,.14,;1.42,-.44,;.09,.33,;-3.91,-.44,;-3.91,-1.98,;-5.25,.33,;-6.58,-.44,;-5.25,1.87,;-6.58,2.64,;-7.91,1.87,;-9.25,2.64,;-9.25,4.18,;-7.91,4.95,;-7.91,6.49,;-6.58,4.18,;-5.25,4.95,)|
COc1cccc(c1Cl)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#CC)CC1 |r,wD:28.32,(-10.02,6.21,;-8.68,5.44,;-8.68,3.9,;-10.02,3.13,;-10.02,1.59,;-8.68,.82,;-7.35,1.59,;-7.35,3.13,;-6.02,3.9,;-6.02,.82,;-4.68,1.59,;-4.68,3.13,;-3.35,.82,;-3.35,-.72,;-4.68,-1.49,;-6.02,-.72,;-7.35,-1.49,;-2.02,-1.49,;-2.02,-3.03,;-.68,-3.8,;.65,-3.03,;.81,-4.56,;2.32,-4.88,;3.09,-6.21,;4.63,-6.21,;5.4,-4.88,;4.63,-3.55,;3.09,-3.55,;2.06,-2.4,;2.46,-.91,;6.94,-4.88,;8.48,-4.88,;10.02,-4.88,;.65,-1.49,;-.68,-.72,)|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(nn3)N3CCCc4ncccc34)[C@H](N)c2c1 |r|
Cn1c(nc(N)c(Sc2ccnc(N)c2Cl)c1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3nc(C)n(-c4cccc(Cl)c4Cl)c(=O)c3F)[C@H](N)c2c1 |r,wD:33.36,(11.17,-3.16,;9.63,-3.16,;8.86,-4.49,;7.32,-4.49,;5.78,-4.49,;4.24,-4.49,;3.47,-5.83,;1.93,-5.83,;1.16,-4.49,;-.34,-4.17,;-.5,-2.64,;-1.84,-3.41,;-3.17,-2.64,;-3.17,-1.1,;-1.84,-.33,;-.5,-1.1,;-4.51,-.33,;-4.51,1.21,;-5.84,1.98,;-5.84,3.52,;-7.17,1.21,;-8.51,1.98,;-9.84,1.21,;-11.17,1.98,;-11.17,3.52,;-9.84,4.29,;-9.84,5.83,;-8.51,3.52,;-7.17,4.29,;-7.17,-.33,;-8.51,-1.1,;-5.84,-1.1,;-5.84,-2.64,;.9,-2.02,;1.3,-.53,;1.93,-3.16,;3.47,-3.16,)|
COc1c(F)ccc(c1Cl)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#CC)CC1 |r,wD:29.33,(-9.35,6.21,;-8.02,5.44,;-8.02,3.9,;-9.35,3.13,;-10.69,3.9,;-9.35,1.59,;-8.02,.82,;-6.68,1.59,;-6.68,3.13,;-5.35,3.9,;-5.35,.82,;-4.02,1.59,;-4.02,3.13,;-2.68,.82,;-2.68,-.72,;-4.02,-1.49,;-5.35,-.72,;-6.68,-1.49,;-1.35,-1.49,;-1.35,-3.03,;-.02,-3.8,;1.32,-3.03,;1.48,-4.56,;2.99,-4.88,;3.76,-6.21,;5.3,-6.21,;6.07,-4.88,;5.3,-3.55,;3.76,-3.55,;2.72,-2.4,;3.12,-.91,;7.61,-4.88,;9.15,-4.88,;10.69,-4.88,;1.32,-1.49,;-.02,-.72,)|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1cc(=O)n(c(N)n1)-c1cccc(Cl)c1Cl)C#C |r,wD:1.0,(3.23,-.53,;2.83,-2.02,;3.86,-3.16,;5.4,-3.16,;6.17,-4.49,;5.4,-5.83,;3.86,-5.83,;3.09,-4.49,;1.58,-4.17,;1.42,-2.64,;.09,-3.41,;-1.25,-2.64,;-1.25,-1.1,;.09,-.33,;1.42,-1.1,;-2.58,-.33,;-3.91,-1.1,;-5.25,-.33,;-6.58,-1.1,;-5.25,1.21,;-3.91,1.98,;-3.91,3.52,;-2.58,1.21,;-6.58,1.98,;-7.91,1.21,;-9.25,1.98,;-9.25,3.52,;-7.91,4.29,;-7.91,5.83,;-6.58,3.52,;-5.25,4.29,;7.71,-4.49,;9.25,-4.49,)|
Cc1nc(Sc2ccnc(N)c2Cl)c(N)nc1N1CCC2(Cc3ccc(cc3[C@H]2N)C#CC(O)=O)CC1 |r|
CC#Cc1ccc2CC3(CCN(CC3)c3nc(C)n(-c4cccc(Cl)c4Cl)c(=O)c3F)[C@H](N)c2c1 |r,wD:31.34,(10.02,-4.49,;8.48,-4.49,;6.94,-4.49,;5.4,-4.49,;4.63,-5.83,;3.09,-5.83,;2.32,-4.49,;.81,-4.17,;.65,-2.64,;-.68,-3.41,;-2.02,-2.64,;-2.02,-1.1,;-.68,-.33,;.65,-1.1,;-3.35,-.33,;-3.35,1.21,;-4.68,1.98,;-4.68,3.52,;-6.02,1.21,;-7.35,1.98,;-8.68,1.21,;-10.02,1.98,;-10.02,3.52,;-8.68,4.29,;-8.68,5.83,;-7.35,3.52,;-6.02,4.29,;-6.02,-.33,;-7.35,-1.1,;-4.68,-1.1,;-4.68,-2.64,;2.06,-2.02,;2.46,-.53,;3.09,-3.16,;4.63,-3.16,)|
COc1c(F)ccc(c1Cl)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#CC)CC1 |r,wD:29.33,(-11.35,2.75,;-10.02,1.98,;-8.68,2.75,;-8.68,4.29,;-10.02,5.06,;-7.35,5.06,;-6.02,4.29,;-6.02,2.75,;-7.35,1.98,;-7.35,.44,;-4.68,1.98,;-3.35,2.75,;-3.35,4.29,;-2.02,1.98,;-2.02,.44,;-3.35,-.33,;-4.68,.44,;-6.02,-.33,;-.68,-.33,;-.68,-1.87,;.65,-2.64,;1.98,-1.87,;2.15,-3.4,;3.65,-3.72,;4.42,-5.06,;5.96,-5.06,;6.73,-3.72,;5.96,-2.39,;4.42,-2.39,;3.39,-1.25,;3.79,.24,;8.27,-3.72,;9.81,-3.72,;11.35,-3.72,;1.98,-.33,;.65,.44,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4cccnc4C(F)(F)F)nn3)[C@H](N)c2c1 |r|
Cn1cc(-c2c(N)nc(N3CCC4(Cc5ccc(cc5[C@H]4N)C#C)CC3)n(C)c2=O)c2cccnc12 |r,wD:20.22,(-8,5.53,;-7.37,4.13,;-5.87,3.81,;-5.7,2.27,;-4.37,1.5,;-3.04,2.27,;-3.04,3.81,;-1.7,1.5,;-1.7,-.04,;-.37,-.81,;-.37,-2.35,;.96,-3.12,;2.3,-2.35,;2.46,-3.88,;3.96,-4.2,;4.73,-5.53,;6.27,-5.53,;7.04,-4.2,;6.27,-2.86,;4.73,-2.86,;3.7,-1.72,;4.02,-.21,;8.58,-4.2,;10.12,-4.2,;2.3,-.81,;.96,-.04,;-3.04,-.81,;-3.04,-2.35,;-4.37,-.04,;-5.7,-.81,;-7.11,1.65,;-7.59,.18,;-9.09,-.14,;-10.12,1.01,;-9.65,2.47,;-8.14,2.79,)|
COCC#Cc1cc2[C@@H](N)C3(Cc2c(F)c1)CCN(CC3)c1ncc(Sc2ccnc(N)n2)c2nccn12 |r|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4cc(N)ncc4Cl)c(N)n3)[C@H](N)c2c1 |r|
Cn1cc(-c2cnc(N3CCC4(Cc5ccc(cc5[C@H]4N)C#C)CC3)n(C)c2=O)c2cccnc12 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)[C@H](N)c2c1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(F)c3Cl)[C@H](N)c2c1 |r,wD:34.37,(11.84,-5.06,;10.3,-5.06,;9.53,-3.72,;10.3,-2.39,;7.99,-3.72,;6.45,-3.72,;4.91,-3.72,;4.14,-5.06,;2.6,-5.06,;1.83,-3.72,;.32,-3.4,;.16,-1.87,;-1.17,-2.64,;-2.5,-1.87,;-2.5,-.33,;-1.17,.44,;.16,-.33,;-3.84,.44,;-5.17,-.33,;-6.51,.44,;-7.84,-.33,;-6.51,1.98,;-5.17,2.75,;-5.17,4.29,;-3.84,1.98,;-7.84,2.75,;-7.84,4.29,;-9.17,5.06,;-10.51,4.29,;-11.84,5.06,;-10.51,2.75,;-11.84,1.98,;-9.17,1.98,;-9.17,.44,;1.57,-1.25,;1.97,.24,;2.6,-2.39,;4.14,-2.39,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4cccnc4Cl)c(N)n3)[C@H](N)c2c1 |r|
CC#Cc1ccc2CC3(CCN(CC3)c3nc(N)c(-c4cn(C)c5ncccc45)c(=O)n3C)[C@H](N)c2c1 |r,wD:33.37,(10.89,-4.2,;9.35,-4.2,;7.81,-4.2,;6.27,-4.2,;5.5,-5.53,;3.96,-5.53,;3.19,-4.2,;1.69,-3.88,;1.53,-2.35,;.19,-3.12,;-1.14,-2.35,;-1.14,-.81,;.19,-.04,;1.53,-.81,;-2.47,-.04,;-2.47,1.5,;-3.81,2.27,;-3.81,3.81,;-5.14,1.5,;-6.47,2.27,;-6.64,3.81,;-8.14,4.13,;-8.77,5.53,;-8.91,2.79,;-10.42,2.47,;-10.89,1.01,;-9.86,-.14,;-8.36,.18,;-7.88,1.65,;-5.14,-.04,;-6.47,-.81,;-3.81,-.81,;-3.81,-2.35,;2.93,-1.72,;3.25,-.21,;3.96,-2.86,;5.5,-2.86,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(Cl)c3Cl)[C@H](N)c2c1 |r,wD:33.36,(11.17,-5.83,;9.63,-5.83,;8.86,-4.49,;9.63,-3.16,;7.32,-4.49,;5.78,-4.49,;4.24,-4.49,;3.47,-5.83,;1.93,-5.83,;1.16,-4.49,;-.34,-4.17,;-.5,-2.64,;-1.84,-3.41,;-3.17,-2.64,;-3.17,-1.1,;-1.84,-.33,;-.5,-1.1,;-4.51,-.33,;-5.84,-1.1,;-7.17,-.33,;-8.51,-1.1,;-7.17,1.21,;-5.84,1.98,;-5.84,3.52,;-4.51,1.21,;-8.51,1.98,;-9.84,1.21,;-11.17,1.98,;-11.17,3.52,;-9.84,4.29,;-9.84,5.83,;-8.51,3.52,;-7.17,4.29,;.9,-2.02,;1.3,-.53,;1.93,-3.16,;3.47,-3.16,)|
COc1ccc(c(Cl)c1Cl)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:29.33,(-10.58,3.52,;-9.25,4.29,;-7.91,3.52,;-7.91,1.98,;-6.58,1.21,;-5.25,1.98,;-5.25,3.52,;-3.91,4.29,;-6.58,4.29,;-6.58,5.83,;-3.91,1.21,;-2.58,1.98,;-2.58,3.52,;-1.25,1.21,;-1.25,-.33,;-2.58,-1.1,;-3.91,-.33,;-5.25,-1.1,;.09,-1.1,;.09,-2.64,;1.42,-3.41,;2.75,-2.64,;2.92,-4.17,;4.42,-4.49,;5.19,-5.83,;6.73,-5.83,;7.5,-4.49,;6.73,-3.16,;5.19,-3.16,;4.16,-2.02,;4.56,-.53,;9.04,-4.49,;10.58,-4.49,;2.75,-1.1,;1.42,-.33,)|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)nn3)[C@H](N)c2c1 |r|
Cn1c(ncc(N2CCCc3ncccc23)c1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(C)n(-c4cccc(Cl)c4Cl)c(=O)c3C)[C@H](N)c2c1 |r,wD:34.37,(11.17,-5.83,;9.63,-5.83,;8.86,-4.49,;9.63,-3.16,;7.32,-4.49,;5.78,-4.49,;4.24,-4.49,;3.47,-5.83,;1.93,-5.83,;1.16,-4.49,;-.34,-4.17,;-.5,-2.64,;-1.84,-3.41,;-3.17,-2.64,;-3.17,-1.1,;-1.84,-.33,;-.5,-1.1,;-4.51,-.33,;-4.51,1.21,;-5.84,1.98,;-5.84,3.52,;-7.17,1.21,;-8.51,1.98,;-9.84,1.21,;-11.17,1.98,;-11.17,3.52,;-9.84,4.29,;-9.84,5.83,;-8.51,3.52,;-7.17,4.29,;-7.17,-.33,;-8.51,-1.1,;-5.84,-1.1,;-5.84,-2.64,;.9,-2.02,;1.3,-.53,;1.93,-3.16,;3.47,-3.16,)|
COc1ccc(c(Cl)c1F)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#CC)CC1 |r,wD:29.33,(-11.35,3.52,;-10.02,4.29,;-8.68,3.52,;-8.68,1.98,;-7.35,1.21,;-6.02,1.98,;-6.02,3.52,;-4.68,4.29,;-7.35,4.29,;-7.35,5.83,;-4.68,1.21,;-3.35,1.98,;-3.35,3.52,;-2.02,1.21,;-2.02,-.33,;-3.35,-1.1,;-4.68,-.33,;-6.02,-1.1,;-.68,-1.1,;-.68,-2.64,;.65,-3.41,;1.98,-2.64,;2.15,-4.17,;3.65,-4.49,;4.42,-5.83,;5.96,-5.83,;6.73,-4.49,;5.96,-3.16,;4.42,-3.16,;3.39,-2.02,;3.79,-.53,;8.27,-4.49,;9.81,-4.49,;11.35,-4.49,;1.98,-1.1,;.65,-.33,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)nn3)[C@H](N)c2c1 |r|
CC#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)c(=O)n3C)[C@H](N)c2c1 |r|
COCC#Cc1cc2[C@@H](N)C3(Cc2c(F)c1)CCN(CC3)c1ncc(Sc2ccnc(C)n2)c2nccn12 |r|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)n2)c(N)n1)C#C |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(cn3)N3CCCc4ncccc34)[C@H](N)c2c1 |r|
CC#Cc1ccc2CC3(CCN(CC3)c3nc(N)c(Sc4ccnc(N)c4Cl)c(=O)n3C)[C@H](N)c2c1 |r|
N[C@@H]1c2cc(cc(F)c2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)n2nccc12)C#C |r|
CC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(F)c3Cl)[C@H](N)c2c1 |r,wD:31.34,(10.69,-4.49,;9.15,-4.49,;7.61,-4.49,;6.07,-4.49,;5.3,-5.83,;3.76,-5.83,;2.99,-4.49,;1.48,-4.17,;1.32,-2.64,;-.02,-3.41,;-1.35,-2.64,;-1.35,-1.1,;-.02,-.33,;1.32,-1.1,;-2.68,-.33,;-4.02,-1.1,;-5.35,-.33,;-6.68,-1.1,;-5.35,1.21,;-4.02,1.98,;-4.02,3.52,;-2.68,1.21,;-6.68,1.98,;-8.02,1.21,;-9.35,1.98,;-9.35,3.52,;-10.69,4.29,;-8.02,4.29,;-8.02,5.83,;-6.68,3.52,;-5.35,4.29,;2.72,-2.02,;3.12,-.53,;3.76,-3.16,;5.3,-3.16,)|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)cn1)C#C |r|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)nc3C)[C@H](N)c2c1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)n4nccc34)[C@H](N)c2c1 |r|
CC#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)c(N)n3)[C@H](N)c2c1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4cc(N)nc(Cl)c4Cl)c(N)n3)[C@H](N)c2c1 |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)c(=O)n3C)[C@H](N)c2c1 |r|
Cc1nccc(Sc2cnc(N3CCC4(Cc5ccc(cc5[C@H]4N)C#C)CC3)c3ccnn23)n1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(N)c(Sc4ccnc(N)n4)nc3C)[C@H](N)c2c1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4cc(N)nc(Cl)c4Cl)cn3)[C@H](N)c2c1 |r|
CNC(=O)C#Cc1ccc2OC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)cn3)[C@H](N)c2c1 |r|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)n2ncnc12)C#C |r|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4cc(N)nc(Cl)c4Cl)c(N)n3)[C@H](N)c2c1 |r|
CCNC(=O)C#Cc1ccc2OC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)cn3)[C@H](N)c2c1 |r|
Cc1nc(N2CCC3(Cc4ccc(cc4[C@H]3N)C#C)CC2)c2cncn2c1Sc1ccnc(N)c1Cl |r|
CC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(F)c3Cl)[C@H](N)c2c1 |r,wD:31.34,(10.69,-3.72,;9.15,-3.72,;7.61,-3.72,;6.07,-3.72,;5.3,-5.06,;3.76,-5.06,;2.99,-3.72,;1.48,-3.4,;1.32,-1.87,;-.02,-2.64,;-1.35,-1.87,;-1.35,-.33,;-.02,.44,;1.32,-.33,;-2.68,.44,;-4.02,-.33,;-5.35,.44,;-6.68,-.33,;-5.35,1.98,;-4.02,2.75,;-4.02,4.29,;-2.68,1.98,;-6.68,2.75,;-6.68,4.29,;-8.02,5.06,;-9.35,4.29,;-10.69,5.06,;-9.35,2.75,;-10.69,1.98,;-8.02,1.98,;-8.02,.44,;2.72,-1.25,;3.12,.24,;3.76,-2.39,;5.3,-2.39,)|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4cc(N)nc(Cl)c4Cl)cn3)[C@H](N)c2c1 |r|
CCn1c(ncc(Sc2ccnc(N)c2Cl)c1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(OC)c3Cl)[C@H](N)c2c1 |r,wD:34.37,(11.17,-6.21,;9.63,-6.21,;8.86,-4.88,;9.63,-3.55,;7.32,-4.88,;5.78,-4.88,;4.24,-4.88,;3.47,-6.21,;1.93,-6.21,;1.16,-4.88,;-.34,-4.56,;-.5,-3.03,;-1.84,-3.8,;-3.17,-3.03,;-3.17,-1.49,;-1.84,-.72,;-.5,-1.49,;-4.5,-.72,;-5.84,-1.49,;-7.17,-.72,;-8.51,-1.49,;-7.17,.82,;-5.84,1.59,;-5.84,3.13,;-4.5,.82,;-8.51,1.59,;-9.84,.82,;-11.17,1.59,;-11.17,3.13,;-9.84,3.9,;-9.84,5.44,;-11.17,6.21,;-8.51,3.13,;-7.17,3.9,;.9,-2.4,;1.3,-.91,;1.93,-3.55,;3.47,-3.55,)|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(N)c(Sc4ccnc(N)c4Cl)nc3C)[C@H](N)c2c1 |r|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4F)cn3)[C@H](N)c2c1 |r|
Cn1c(ncc(Sc2ccnc(N)c2Cl)c1=O)N1CCC2(CC1)Oc1ccc(cc1[C@H]2N)C#C |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3cccc(OC)c3Cl)[C@H](N)c2c1 |r,wD:34.37,(12.51,-5.06,;10.97,-5.06,;10.2,-3.72,;10.97,-2.39,;8.66,-3.72,;7.12,-3.72,;5.58,-3.72,;4.81,-5.06,;3.27,-5.06,;2.5,-3.72,;.99,-3.4,;.83,-1.87,;-.5,-2.64,;-1.84,-1.87,;-1.84,-.33,;-.5,.44,;.83,-.33,;-3.17,.44,;-4.5,-.33,;-5.84,.44,;-7.17,-.33,;-5.84,1.98,;-4.5,2.75,;-4.5,4.29,;-3.17,1.98,;-7.17,2.75,;-7.17,4.29,;-8.51,5.06,;-9.84,4.29,;-9.84,2.75,;-11.17,1.98,;-12.51,2.75,;-8.51,1.98,;-8.51,.44,;2.24,-1.25,;2.63,.24,;3.27,-2.39,;4.81,-2.39,)|
CC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(Cl)c3Cl)[C@H](N)c2c1 |r,wD:31.34,(10.69,-4.49,;9.15,-4.49,;7.61,-4.49,;6.07,-4.49,;5.3,-5.83,;3.76,-5.83,;2.99,-4.49,;1.48,-4.17,;1.32,-2.64,;-.02,-3.41,;-1.35,-2.64,;-1.35,-1.1,;-.02,-.33,;1.32,-1.1,;-2.68,-.33,;-4.02,-1.1,;-5.35,-.33,;-6.68,-1.1,;-5.35,1.21,;-4.02,1.98,;-4.02,3.52,;-2.68,1.21,;-6.68,1.98,;-8.02,1.21,;-9.35,1.98,;-9.35,3.52,;-10.69,4.29,;-8.02,4.29,;-8.02,5.83,;-6.68,3.52,;-5.35,4.29,;2.72,-2.02,;3.12,-.53,;3.76,-3.16,;5.3,-3.16,)|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3ncc(nc3C)N3CCCc4ncccc34)[C@H](N)c2c1 |r|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)cn1)C#CC(=O)NC1CC1 |r|
COc1c(Cl)c(ccc1C#N)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:30.34,(-7.91,6.21,;-6.58,5.44,;-6.58,3.9,;-5.25,3.13,;-3.91,3.9,;-5.25,1.59,;-6.58,.82,;-7.91,1.59,;-7.91,3.13,;-9.25,3.9,;-10.58,4.67,;-3.91,.82,;-2.58,1.59,;-2.58,3.13,;-1.25,.82,;-1.25,-.72,;-2.58,-1.49,;-3.91,-.72,;-5.25,-1.49,;.09,-1.49,;.09,-3.03,;1.42,-3.8,;2.75,-3.03,;2.92,-4.56,;4.42,-4.88,;5.19,-6.21,;6.73,-6.21,;7.5,-4.88,;6.73,-3.55,;5.19,-3.55,;4.16,-2.4,;4.56,-.91,;9.04,-4.88,;10.58,-4.88,;2.75,-1.49,;1.42,-.72,)|
CC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(F)c(Cl)c3Cl)[C@H](N)c2c1 |r,wD:31.34,(10.69,-3.72,;9.15,-3.72,;7.61,-3.72,;6.07,-3.72,;5.3,-5.06,;3.76,-5.06,;2.99,-3.72,;1.48,-3.4,;1.32,-1.87,;-.02,-2.64,;-1.35,-1.87,;-1.35,-.33,;-.02,.44,;1.32,-.33,;-2.68,.44,;-4.02,-.33,;-5.35,.44,;-6.68,-.33,;-5.35,1.98,;-4.02,2.75,;-4.02,4.29,;-2.68,1.98,;-6.68,2.75,;-6.68,4.29,;-8.02,5.06,;-9.35,4.29,;-10.69,5.06,;-9.35,2.75,;-10.69,1.98,;-8.02,1.98,;-8.02,.44,;2.72,-1.25,;3.12,.24,;3.76,-2.39,;5.3,-2.39,)|
CCNC(=O)C#Cc1ccc2OC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)nc3C)[C@H](N)c2c1 |r|
COCCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)cn3)[C@H](N)c2c1 |r|
Cc1nc(cc(=O)n1-c1ccc(C#N)c(Cl)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:29.33,(-2.58,3.52,;-2.58,1.98,;-1.25,1.21,;-1.25,-.33,;-2.58,-1.1,;-3.91,-.33,;-5.25,-1.1,;-3.91,1.21,;-5.25,1.98,;-6.58,1.21,;-7.91,1.98,;-7.91,3.52,;-9.25,4.29,;-10.58,5.06,;-6.58,4.29,;-6.58,5.83,;-5.25,3.52,;-3.91,4.29,;.09,-1.1,;.09,-2.64,;1.42,-3.41,;2.75,-2.64,;2.92,-4.17,;4.42,-4.49,;5.19,-5.83,;6.73,-5.83,;7.5,-4.49,;6.73,-3.16,;5.19,-3.16,;4.16,-2.02,;4.56,-.53,;9.04,-4.49,;10.58,-4.49,;2.75,-1.1,;1.42,-.33,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(N)c(Sc4ccnc(N)c4Cl)nc3Cl)[C@H](N)c2c1 |r|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)n4)cn3)[C@H](N)c2c1 |r|
COCCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4F)cn3)[C@H](N)c2c1 |r|
Cc1nc(cc(=O)n1-c1ccc(C#N)c(O)c1F)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:29.33,(-2.58,3.52,;-2.58,1.98,;-1.25,1.21,;-1.25,-.33,;-2.58,-1.1,;-3.91,-.33,;-5.25,-1.1,;-3.91,1.21,;-5.25,1.98,;-6.58,1.21,;-7.91,1.98,;-7.91,3.52,;-9.25,4.29,;-10.58,5.06,;-6.58,4.29,;-6.58,5.83,;-5.25,3.52,;-3.91,4.29,;.09,-1.1,;.09,-2.64,;1.42,-3.41,;2.75,-2.64,;2.92,-4.17,;4.42,-4.49,;5.19,-5.83,;6.73,-5.83,;7.5,-4.49,;6.73,-3.16,;5.19,-3.16,;4.16,-2.02,;4.56,-.53,;9.04,-4.49,;10.58,-4.49,;2.75,-1.1,;1.42,-.33,)|
CNC(=O)C#Cc1cc2[C@@H](N)C3(Cc2cc1F)CCN(CC3)c1nc(N)c(Sc2ccnc(N)c2Cl)nc1Cl |r|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3ncc(Sc4ccnc(N)n4)nc3C)[C@H](N)c2c1 |r|
Cn1c(ncc(Sc2ccnc(N)c2Cl)c1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r|
COCC#Cc1ccc2CC3(CCN(CC3)c3cc(=O)n(c(C)n3)-c3ccc(C#N)c(O)c3F)[C@H](N)c2c1 |r,wD:34.37,(12.51,-5.83,;10.97,-5.83,;10.2,-4.49,;8.66,-4.49,;7.12,-4.49,;5.58,-4.49,;4.81,-5.83,;3.27,-5.83,;2.5,-4.49,;.99,-4.17,;.83,-2.64,;-.5,-3.41,;-1.84,-2.64,;-1.84,-1.1,;-.5,-.33,;.83,-1.1,;-3.17,-.33,;-4.51,-1.1,;-5.84,-.33,;-7.17,-1.1,;-5.84,1.21,;-4.51,1.98,;-4.51,3.52,;-3.17,1.21,;-7.17,1.98,;-8.51,1.21,;-9.84,1.98,;-9.84,3.52,;-11.17,4.29,;-12.51,5.06,;-8.51,4.29,;-8.51,5.83,;-7.17,3.52,;-5.84,4.29,;2.24,-2.02,;2.64,-.53,;3.27,-3.16,;4.81,-3.16,)|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(N)c(Sc4ccnc(N)c4Cl)nc3Cl)[C@H](N)c2c1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)n4)cn3)[C@H](N)c2c1 |r|
COC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)cn3)[C@H](N)c2c1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(N)c(Sc4ccnc(N)c4Cl)nc3C)[C@H](N)c2c1 |r|
Cc1nc(Sc2ccnc(N)c2Cl)c(N)nc1N1CCC2(Cc3ccc(cc3[C@H]2N)C#CC(=O)NC2CC2)CC1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3ncc(nc3C)N3CCCc4ncccc34)[C@H](N)c2c1 |r|
COCCN(C)C(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)cn3)[C@H](N)c2c1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(N)c(Sc4ccnc(OC)c4Cl)nc3C)[C@H](N)c2c1 |r|
CCNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)[C@H](N)c2c1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4F)c(N)n3)[C@H](N)c2c1 |r|
CN(C)C(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)cn3)[C@H](N)c2c1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3nc(N)c(Sc4ccnc(C)c4Cl)nc3C)[C@H](N)c2c1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)cn3)[C@H](N)c2c1 |r|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4F)cn3)[C@H](N)c2c1 |r|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)cn1)C#CC(=O)N1CCC1 |r|
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3cc(F)c(cc3[C@H]2N)C#C)CC1 |r,wD:28.32,(-3.91,4.18,;-3.91,2.64,;-2.58,1.87,;-2.58,.33,;-3.91,-.44,;-5.25,.33,;-6.58,-.44,;-5.25,1.87,;-6.58,2.64,;-7.91,1.87,;-9.25,2.64,;-9.25,4.18,;-7.91,4.95,;-7.91,6.49,;-6.58,4.18,;-5.25,4.95,;-1.25,-.44,;-1.25,-1.98,;.09,-2.75,;1.42,-1.98,;1.58,-3.51,;3.09,-3.83,;3.86,-5.16,;5.4,-5.16,;6.17,-6.49,;6.17,-3.83,;5.4,-2.49,;3.86,-2.49,;2.83,-1.35,;3.23,.14,;7.71,-3.83,;9.25,-3.83,;1.42,-.44,;.09,.33,)|
CNC(=O)C#Cc1ccc2OC3(CCN(CC3)c3ncc(Sc4ccnc(N)c4Cl)nc3C)[C@H](N)c2c1 |r|
COc1c(Cl)c(ccc1C#N)-n1c(C)nc(cc1=O)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:30.34,(-10.58,2.36,;-9.25,1.59,;-7.91,2.36,;-6.58,1.59,;-6.58,.05,;-5.25,2.36,;-5.25,3.9,;-6.58,4.67,;-7.91,3.9,;-9.25,4.67,;-10.58,5.44,;-3.91,1.59,;-2.58,2.36,;-2.58,3.9,;-1.25,1.59,;-1.25,.05,;-2.58,-.72,;-3.91,.05,;-5.25,-.72,;.09,-.72,;.09,-2.26,;1.42,-3.03,;2.75,-2.26,;2.92,-3.79,;4.42,-4.11,;5.19,-5.44,;6.73,-5.44,;7.5,-4.11,;6.73,-2.78,;5.19,-2.78,;4.16,-1.63,;4.56,-.14,;9.04,-4.11,;10.58,-4.11,;2.75,-.72,;1.42,.05,)|
CNC(=O)C#Cc1ccc2CC3(CCN(CC3)c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)[C@H](N)c2c1 |r|
Cc1nc(cc(=O)n1-c1cccc(C#N)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:28.32,(-3.91,2.75,;-3.91,1.21,;-2.58,.44,;-2.58,-1.1,;-3.91,-1.87,;-5.25,-1.1,;-6.58,-1.87,;-5.25,.44,;-6.58,1.21,;-7.91,.44,;-9.25,1.21,;-9.25,2.75,;-7.91,3.52,;-7.91,5.06,;-7.91,6.6,;-6.58,2.75,;-5.25,3.52,;-1.25,-1.87,;-1.25,-3.41,;.09,-4.18,;1.42,-3.41,;1.58,-4.94,;3.09,-5.26,;3.86,-6.6,;5.4,-6.6,;6.17,-5.26,;5.4,-3.93,;3.86,-3.93,;2.83,-2.79,;3.23,-1.3,;7.71,-5.26,;9.25,-5.26,;1.42,-1.87,;.09,-1.1,)|
N[C@@H]1c2cc(ccc2CC11CCN(CC1)c1nc(N)c(Sc2ccnc(N)c2Cl)nc1Cl)C#CC(=O)NC1CC1 |r|
Cc1nc(cc(=O)n1-c1cccc(C#N)c1Cl)N1CCC2(Cc3ccc(cc3[C@H]2N)C#C)CC1 |r,wD:28.32,(-2.58,4.29,;-2.58,2.75,;-1.25,1.98,;-1.25,.44,;-2.58,-.33,;-3.91,.44,;-5.25,-.33,;-3.91,1.98,;-5.25,2.75,;-5.25,4.29,;-6.58,5.06,;-7.91,4.29,;-7.91,2.75,;-9.25,1.98,;-10.58,1.21,;-6.58,1.98,;-6.58,.44,;.09,-.33,;.09,-1.87,;1.42,-2.64,;2.75,-1.87,;2.92,-3.4,;4.42,-3.72,;5.19,-5.06,;6.73,-5.06,;7.5,-3.72,;6.73,-2.39,;5.19,-2.39,;4.16,-1.25,;4.56,.24,;9.04,-3.72,;10.58,-3.72,;2.75,-.33,;1.42,.44,)|
CCCCCCCCCOc1ccc(cc1C(O)=O)-c1ccc(CC(O)=O)cc1
CCCCCCCCCOc1ccc(-c2ccc(CC(O)=O)cc2)c(c1)C(O)=O
Cc1nc(N2CCC(C)(N)CC2)c2cncn2c1-c1cccc(Cl)c1Cl |(8.79,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;6.12,-2.31,;7.45,-3.08,;7.45,-4.62,;6.12,-5.39,;5.4,-6.75,;6.84,-6.75,;4.79,-4.62,;4.79,-3.08,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;6.12,2.31,;6.12,3.85,;4.79,4.62,;4.79,6.16,;6.12,6.93,;7.45,6.16,;8.79,6.93,;7.45,4.62,;8.79,3.85,)|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C4CCC3CNC4)n(C)c(=O)c12
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCC(C)(CN)CC3)n(C)c(=O)c12
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCC(C)(N)CC3)n(C)c(=O)c12
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@@H](N)C4)n(C)c(=O)c12 |r,THB:17:18:23.24.26:21.20|
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@H](N)C4)n(C)c(=O)c12 |r,THB:17:18:23.24.26:21.20|
CCc1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2s1 |r,THB:13:14:19.20.22:17.16|
Cc1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2s1 |r,THB:12:13:18.19.21:16.15|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:22.23.25:20.19|
Cn1c(nc2[nH]cc(-c3ccc4nn(cc4c3Cl)C(C)(C)C)c2c1=O)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r,THB:2:25:30.31.33:28.27|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:22.23.25:20.19|
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCC4(CCC[C@H]4N)CC3)n(C)c(=O)c12 |r|
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCC4(COC[C@H]4N)CC3)n(C)c(=O)c12 |r|
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@@H](C4)NC)n(C)c(=O)c12 |r,THB:17:18:23.24.25:21.20|
CN[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc2[nH]cc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C |r,THB:10:9:8.2.3:6.5|
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@](C)(N)C4)n(C)c(=O)c12 |r,THB:17:18:23.24.27:21.20|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@](C)(N)C4)n(C)c(=O)c12 |r,THB:16:17:22.23.26:20.19|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC4COCC(C3)N4)n(C)c(=O)c12
C[C@@H]1CN(CCN1)c1nc2[nH]cc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCN[C@H](CO)C3)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCN[C@H](CCO)C3)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C[C@@H]4C[C@H]3CN4)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C4COCC3CC(N)C4)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C[C@H]4C[C@@H]3CN4)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C[C@@H]4CC[C@H](C3)[C@H]4N)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C[C@@H]4CC[C@H](C3)[C@@H]4N)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@@H]4CC[C@H]3[C@H](F)[C@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:26.24.22:19.20|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C4CCCC3CNC4)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC4CCC(C3)N4)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C4CC3CNC4)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC4CCCC(C3)N4)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC4CC(C3)N4)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC4CCC3CN4)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C[C@@H]4C[C@H](C3)[C@H]4N)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C[C@@H]4C[C@H](C3)[C@@H]4N)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC4CC3CC4N)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CCC[C@@H]3C[C@@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:23.24.26:21.19.20|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CCC[C@@H]3C[C@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:23.24.26:21.19.20|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCC4(CCCN4)CC3)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCNCC3)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCC4NCC4C3)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCC4(CCCCN4)CC3)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCC4(CCN4)CC3)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC[C@H](N)C3)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC[C@@H](N)C3)n(C)c(=O)c12 |r|
C[C@H]1CN(CCN1)c1nc2[nH]cc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@@H]4CC[C@H]3[C@@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:22.24:19.20|
C[C@@H]1CNCCN1c1nc2[nH]cc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C |r|
C[C@H]1CNCCN1c1nc2[nH]cc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3[C@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:22.24:19.20|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C[C@@H](N)[C@@H](F)C3)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C[C@@H]4CC[C@H]3[C@H]4N)n(C)c(=O)c12 |r,TLB:16:17:23:21.20|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C[C@H](N)[C@@H](F)C3)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC(N)C(F)(F)C3)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC[C@](C)(N)C3)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC[C@@](C)(N)C3)n(C)c(=O)c12 |r|
C[C@@H]1CN(C[C@@H]1N)c1nc2[nH]cc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C |r|
C[C@H]1CN(C[C@@H]1N)c1nc2[nH]cc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCC(N)(CO)C3)n(C)c(=O)c12
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]cc(-c4ccc5nn(C)cc5c4Cl)c3c(=O)n2C)[C@@H]1N |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC[C@H](CN)C3)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC4CC4(N)C3)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC4C(N)C4C3)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC[C@@H](CN)C3)n(C)c(=O)c12 |r|
COC1(CN)CCN(CC1)c1nc2[nH]cc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCC(F)(CN)CC3)n(C)c(=O)c12
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C4CCCC3CNC4)n(C)c(=O)c12
Cn1cc2cc(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@H](N)C4)n(C)c(=O)c12 |r,THB:15:16:21.22.24:19.18|
Cc1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2o1 |r,THB:12:13:18.19.21:16.15|
CCc1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2o1 |r,THB:13:14:19.20.22:17.16|
Cn1cc2c(F)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:22.23.25:20.19|
Cn1c(nc2[nH]cc(-c3cc4nn[nH]c4c(F)c3F)c2c1=O)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r,THB:2:22:27.28.30:25.24|
Cn1cc2cc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)n(C)c(=O)c34)c(F)cc2n1 |r,THB:11:12:17.18.20:15.14|
COc1c(ccc2=NC(C)C=c12)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@H](N)C4)n(C)c(=O)c12 |r,t:6,10,THB:17:18:23.24.26:21.20|
Cn1nnc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)n(C)c(=O)c34)c(Cl)c12 |r,THB:13:14:19.20.22:17.16|
Cn1c(nc2[nH]cc(-c3ccc4nn(CC(C)(C)O)cc4c3Cl)c2c1=O)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r,THB:2:26:31.32.34:29.28|
Cc1cc(-c2c[nH]c3nc(N4[C@H]5CC[C@@H]4C[C@H](N)C5)n(C)c(=O)c23)c(Cl)c2cn(C)nc12 |r,THB:9:10:15.16.18:13.12|
Cn1c(nc2[nH]cc(-c3ccc4[nH]ncc4c3Cl)c2c1=O)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r,THB:2:21:26.27.29:24.23|
Cn1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2c1Cl |r,THB:12:13:18.19.21:16.15|
Cn1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@](C)(N)C6)n(C)c(=O)c34)c(Cl)c2c1Cl |r,THB:12:13:18.19.22:16.15|
Cn1nc2ccc(-c3c[nH]c4nc(N5CC6COCC(C5)N6)n(C)c(=O)c34)c(Cl)c2c1Cl
Cc1nc2ccc(-c3c[nH]c4nc(N5CC6COCC(C5)N6)n(C)c(=O)c34)c(Cl)c2s1
CN(C)C(=O)Cn1nc2ccc(-c3c[nH]c4nc(N5C6CCCC5CNC6)n(C)c(=O)c34)c(Cl)c2c1Cl
CN(C)C(=O)CCn1nc2ccc(-c3c[nH]c4nc(N5C6CCCC5CNC6)n(C)c(=O)c34)c(Cl)c2c1Cl
CN(C)C(=O)Cc1nc2ccc(-c3c[nH]c4nc(N5C6CCCC5CNC6)n(C)c(=O)c34)c(Cl)c2s1
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C4CNCC3COC4)n(C)c(=O)c12
CN(C)C(=O)Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C4CCC3CNC4)n(C)c(=O)c12
Cn1nc2ccc(-c3c[nH]c4nc(N5C6CCC5CNC6)n(C)c(=O)c34)c(Cl)c2n1
CN(C)C(=O)CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C4CCC3CNC4)n(C)c(=O)c12
CN(C)C(=O)CCn1nc2ccc(-c3c[nH]c4nc(N5C6CCC5CNC6)n(C)c(=O)c34)c(Cl)c2c1Cl
Cc1nc2ccc(-c3c[nH]c4nc(N5C6CCC5CNC6)n(C)c(=O)c34)c(Cl)c2s1
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C4CCC3CNC4)n(C)c(=O)c12
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3[C@H](N)C4)n(C)c(=O)c12 |r,THB:17:18:23.25:20.21|
Cn1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2c1Cl |r,THB:12:13:18.20:15.16|
Cc1n(C)nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c12 |r,THB:14:15:20.22:17.18|
Cc1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2s1 |r,THB:12:13:18.20:15.16|
Cn1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(F)c2c1Cl |r,THB:12:13:18.20:15.16|
CN[C@@H]1C[C@@H]2CC[C@H]1N2c1nc2[nH]cc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C |r,TLB:9:8:2.3:5.6|
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](C4)NC)n(C)c(=O)c12 |r,THB:17:18:23.24:20.21|
Cn1nc2ccc(-c3c[nH]c4nc(N5C6CCCC5CNC6)n(C)c(=O)c34)c(Cl)c2c1Cl
Cn1nc2ccc(-c3c[nH]c4nc(N5C6CCCC5CNC6)n(C)c(=O)c34)c(F)c2c1Cl
Cn1c(nc2[nH]cc(-c3ccc4ncsc4c3Cl)c2c1=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:2:21:26.28:23.24|
CCn1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2c1OC |r,THB:13:14:19.21:16.17|
Cn1c(nc2[nH]cc(-c3ccc4nn(CF)c(Cl)c4c3Cl)c2c1=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:2:24:29.31:26.27|
CN[C@@H]1C[C@@H]2CC[C@H]1N2c1nc2[nH]cc(-c3ccc4nn(C)c(Cl)c4c3Cl)c2c(=O)n1C |r,TLB:9:8:2.3:5.6|
CN[C@@H]1C[C@@H]2CC[C@H]1N2c1nc2[nH]cc(-c3ccc4ncsc4c3Cl)c2c(=O)n1C |r,TLB:9:8:2.3:5.6|
CN[C@@H]1C[C@@H]2CC[C@H]1N2c1nc2[nH]cc(-c3ccc4nn(C)c(Cl)c4c3F)c2c(=O)n1C |r,TLB:9:8:2.3:5.6|
CN[C@@H]1C[C@@H]2CC[C@H]1N2c1nc2[nH]cc(-c3ccc4nc(C)sc4c3Cl)c2c(=O)n1C |r,TLB:9:8:2.3:5.6|
Cn1c(nc2[nH]cc(-c3ccc4ncsc4c3Cl)c2c1=O)N1C2CCCC1CNC2
CCn1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2c1C(F)F |r,THB:13:14:19.21:16.17|
CCn1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2c1CO |r,THB:13:14:19.21:16.17|
CCn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3C4CCCC3CNC4)n(C)c(=O)c12
CCn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3[C@H](N)C4)n(C)c(=O)c12 |r,THB:17:18:23.25:20.21|
Cc1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2s1 |r,THB:12:13:18.20:15.16|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2c1Cl |r,THB:12:13:18.20:15.16|
CCn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@](C)(N)C4)n(C)c(=O)c12 |r,THB:17:18:23.24.27:21.20|
Cn1nc2ccc(-c3n[nH]c4nc(N5C6CCCC5CNC6)n(C)c(=O)c34)c(Cl)c2c1Cl
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3C4CCCC3CNC4)n(C)c(=O)c12
CCn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](C4)NC)n(C)c(=O)c12 |r,THB:17:18:23.24:20.21|
CN[C@@H]1C[C@@H]2CC[C@H]1N2c1nc2[nH]nc(-c3ccc4nn(C)c(Cl)c4c3Cl)c2c(=O)n1C |r,TLB:9:8:2.3:5.6|
CN[C@@H]1C[C@@H]2CC[C@H]1N2c1nc2[nH]nc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C |r,TLB:9:8:2.3:5.6|
CN[C@@H]1C[C@@H]2CC[C@H]1N2c1nc2[nH]nc(-c3ccc4nn(C)c(Cl)c4c3F)c2c(=O)n1C |r,TLB:9:8:2.3:5.6|
Cn1c(nc2[nH]nc(-c3ccc4ncsc4c3Cl)c2c1=O)N1C2CCCC1CNC2
CN[C@@H]1C[C@@H]2CC[C@H]1N2c1nc2[nH]nc(-c3ccc4ncsc4c3Cl)c2c(=O)n1C |r,TLB:9:8:2.3:5.6|
CN[C@@H]1C[C@@H]2CC[C@H]1N2c1nc2[nH]nc(-c3ccc4nc(C)sc4c3Cl)c2c(=O)n1C |r,TLB:9:8:2.3:5.6|
CCn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3C[C@@H]4CC[C@H]3[C@H]4N)n(C)c(=O)c12 |r,TLB:17:18:24:22.21|
Cn1nc2ccc(-c3n[nH]c4nc(N5C[C@@H]6CC[C@H]5[C@H]6N)n(C)c(=O)c34)c(Cl)c2c1Cl |r,TLB:12:13:19:17.16|
CCn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2c1Cl |r,THB:13:14:19.21:16.17|
CCn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](C6)NC)n(C)c(=O)c34)c(Cl)c2c1Cl |r,THB:13:14:19.20:16.17|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](F)[C@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:22.24.26:20.19|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@@H]4CC[C@H]3[C@H](F)[C@@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:26.24.22:19.20|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3[C@H](F)[C@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:22.24.26:20.19|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@@H]4CC[C@H]3[C@@H](F)[C@@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:26.24.22:19.20|
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C[C@@H]4CC[C@H]3[C@H]4N)n(C)c(=O)c12 |r,TLB:17:18:24:22.21|
Cn1c(nc2[nH]nc(-c3ccc4ncsc4c3Cl)c2c1=O)N1C[C@@H]2CC[C@H]1[C@H]2N |r,TLB:2:21:27:25.24|
CN[C@H]1[C@H]2CC[C@@H]1N(C2)c1nc2[nH]cc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C |r,THB:9:7:2:5.4|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:22.23.25:19.20|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3C4CCC3CNC4)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3CCC4(C[C@H](O)C[C@H]4N)CC3)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3CCC4(COC[C@H]4N)CC3)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:22.23.25:19.20|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3CCC4(CNC4)CC3)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3CCC4(CCC[C@H]4N)CC3)n(C)c(=O)c12 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc5nn(C)cc5c4Cl)c3c(=O)n2C)[C@@H]1N |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3CCC4(C[C@@H](F)C[C@H]4N)CC3)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3CC4COCC(C3)N4)n(C)c(=O)c12
Cn1nc2ccc(-c3n[nH]c4nc(N5CC6COCC(C5)N6)n(C)c(=O)c34)c(Cl)c2c1Cl
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc5nn(C)c(Cl)c5c4Cl)c3c(=O)n2C)[C@@H]1N |r|
CCn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c(=O)c12 |r|
CNc1ccc2ccc(-c3cn(COCC[Si](C)(C)C)c4nc(Cl)n(C)c(=O)c34)c(Cl)c2n1
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c(=O)c12 |r|
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCCNCC3)n(C)c(=O)c12
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3[C@H](N)CC4)n(C)c(=O)c12 |r,THB:16:17:22.24.25:19.20|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3CNCC4)n(C)c(=O)c12 |r,THB:16:17:22.23.24.25:19.20|
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCCC(N)CC3)n(C)c(=O)c12
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C[C@H]4CC[C@@H]3[C@@H]4N)n(C)c(=O)c12 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C[C@H]4CC[C@@H]3[C@@H]4N)n(C)c(=O)c12 |r,TLB:16:17:23:20.21|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3C[C@@H]4CC[C@H]3[C@H]4N)n(C)c(=O)c12 |r,TLB:16:17:23:20.21|
CCn1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2c1C#N |r,TLB:13:14:17.16:19.21|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2c1Cl |r,THB:12:13:18.19.21:15.16|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@](C)(N)C6)n(C)c(=O)c34)c(Cl)c2c1Cl |r,THB:12:13:18.19.22:15.16|
Cn1nc2ccc(-c3n[nH]c4nc(N5CC[C@H](N)[C@H](F)C5)n(C)c(=O)c34)c(Cl)c2c1Cl |r|
Cn1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)n(C)c(=O)c34)c(Cl)c2c1Cl |r,THB:12:13:18.20.22:15.16|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:22.24:20.19|
CN[C@H]1C[C@H]2CC[C@@H]1N2c1nc2[nH]cc(-c3ccc4nn(C)cc4c3Cl)c2c(=O)n1C |r,TLB:9:8:2.3:6.5|
Cn1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](N)C6)n(C)c(=O)c34)c(Cl)c2c1Cl |r,THB:12:13:18.20:16.15|
Cn1nc2ccc(cc2c1Cl)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3[C@H](N)C4)n(C)c(=O)c12 |r,THB:16:17:22.24:20.19|
Cn1nc2c(Cl)cc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](N)C6)n(C)c(=O)c34)c(Cl)c2c1Cl |r,THB:13:14:19.21:17.16|
COc1cnc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2n1 |r,THB:14:15:20.22:18.17|
CN(C)c1cnc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2n1 |r,THB:15:16:21.23:19.18|
Cn1nc2ccc(-c3n[nH]c4nc(N5C[C@H]6CC[C@@H]5[C@@H]6N)n(C)c(=O)c34)c(Cl)c2c1Cl |r,TLB:12:13:19:17.16|
Cn1nc2ccc(-c3c[nH]c4nc(N5C[C@H]6CC[C@@H]5[C@@H]6N)n(C)c(=O)c34)c(Cl)c2c1Cl |r,TLB:12:13:19:17.16|
Cn1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@](C)(N)C6)n(C)c(=O)c34)c(Cl)c2c1Cl |r,THB:12:13:18.21:16.15|
Cn1nc2ccc(-c3c[nH]c4nc(N5C[C@H]6CC[C@@H]5[C@@H]6N)n(C)c(=O)c34)c(F)c2c1Cl |r,TLB:12:13:19:17.16|
Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@](C)(N)C6)n(C)c(=O)c34)c(Cl)c2c1Cl |r,THB:12:13:18.21:16.15|
Cn1c(nc2[nH]cc(-c3ccc4nccnc4c3Cl)c2c1=O)N1[C@H]2CC[C@@H]1C[C@H](N)C2 |r,THB:2:22:27.28.30:24.25|
CCN[C@@H]1C[C@@H]2CC[C@H]1N2c1nc2[nH]nc(-c3ccc4nn(C)c(Cl)c4c3Cl)c2c(=O)n1C |r,TLB:10:9:3.4:7.6|
COCCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3[C@H](N)C4)n(C)c(=O)c12 |r,THB:19:20:25.27:23.22|
CC(C)N[C@@H]1C[C@@H]2CC[C@H]1N2c1nc2[nH]nc(-c3ccc4nn(C)c(Cl)c4c3Cl)c2c(=O)n1C |r,TLB:11:10:4.5:8.7|
CCn1cc2cc(ccc2n1)-c1c[nH]c2nc(N3CCC4(COC[C@H]4N)CC3)n(C)c(=O)c12 |r|
CCn1cc2c(F)c(ccc2n1)-c1c[nH]c2nc(N3CCC4(COC[C@H]4N)CC3)n(C)c(=O)c12 |r|
CCn1cc2ccc(-c3c[nH]c4nc(N5CCC6(COC[C@H]6N)CC5)n(C)c(=O)c34)c(Cl)c2n1 |r|
CCn1cc2ccc(cc2n1)-c1c[nH]c2nc(N3CCC4(COC[C@H]4N)CC3)n(C)c(=O)c12 |r|
CCn1cc2ccc(-c3c[nH]c4nc(N5CCC6(COC[C@H]6N)CC5)n(C)c(=O)c34)c(F)c2n1 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3C[C@](N)(C4)C(F)F)n(C)c(=O)c12 |r,THB:16:17:22.23.25:20.19|
CCn1cc2cc(cc(F)c2n1)-c1c[nH]c2nc(N3CCC4(COC[C@H]4N)CC3)n(C)c(=O)c12 |r|
Cn1c(nc2[nH]cc(-c3ccc4ncsc4c3Cl)c2c1=O)N1CC[C@H](N)[C@H](F)C1 |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@@H]4CC[C@H]3CNCC4)n(C)c(=O)c12 |r,THB:16:17:25.24.23.22:19.20|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3CNCC4)n(C)c(=O)c12 |r,THB:16:17:22.23.24.25:20.19|
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC4CNC(C4)C3)n(C)c(=O)c12
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CC4CC3CNC4)n(C)c(=O)c12
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]cc(-c4cc(F)c5nn(C)cc5c4Cl)c3c(=O)n2C)[C@@H]1N |r|
Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3[C@](C)(N)C4)n(C)c(=O)c12 |r,TLB:16:17:22.25:20.19|
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3CCC4(CNC4)C3)n(C)c(=O)c12
CCn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](F)[C@@H](N)C4)n(C)c(=O)c12 |r,THB:17:18:23.25.27:21.20|
CN(C)c1ccc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2n1 |r,TLB:15:16:21.23:19.18|
CNc1ccc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@H](N)C6)n(C)c(=O)c34)c(Cl)c2n1 |r,TLB:14:15:20.22:18.17|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(c(N)n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
Nc1nc(cnc1-c1cccc(Cl)c1Cl)N1CCC2(CCCN2)CC1
N[C@@H]1CCCC11CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r|
N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
CC1CCC2(CCN(CC2)c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@H]1[C@H](C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4Cl)N)CO1)N
CC[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)[C@@H]1N |r|
N[C@@H]1C[C@H](O)CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)cn1 |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(N)c2Cl)cn1 |r|
CC1CCC2(CCN(CC2)c2cnc(Sc3ccnc(N)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cc(N)nc(Cl)c3Cl)cn2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(N)c3Cl)cn2)[C@@H]1N |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)cn1 |r|
N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)cn1 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(C)c3Cl)c(=O)n2C)[C@@H]1N |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(Sc2ccncc2C(F)(F)F)c(=O)n1C |r|
CC[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N |r|
Cn1c(nc2n[nH]c(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(CCC[C@H]2N)CC1 |r|
CC1(CN)CCN(CC1)c1nc2[nH]cc(-c3cccc(Cl)c3Cl)c2c(=O)[nH]1
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc2n[nH]c(-c3ccc(N)nc3C)c2c(=O)n1C |r|
Cc1nc(N)ccc1-c1[nH]nc2nc(N3CCC4(CC(F)(F)C[C@H]4N)CC3)n(C)c(=O)c12 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3n[nH]c(-c4ccnc(NC5CC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
COc1nccc(-c2c[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r|
CC1(N)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4ccccn4c3=O)c2Cl)c(N)n1
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)c4c(O)nc5CCCCn5c4=O)c3Cl)c(N)n2)[C@@H]1N |r|
CC1(N)CCN(CC1)c1cnc(Sc2cccc(NC(=O)C3=C(O)CN(C3=O)c3ccccc3)c2Cl)c(N)n1 |c:22|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)c(N)n1 |r|
CC1(CN)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)c(N)n1
N[C@@H]1CC(F)(F)CC11CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)c(N)n1 |r|
CC1(CN)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4ccccn4c3=O)c2Cl)c(N)n1
Nc1nc(cnc1Sc1cccc(NC(=O)c2c(O)nc3CCCCn3c2=O)c1Cl)N1CCC(N)(CF)CC1
Nc1nc(cnc1Sc1cccc(NC(=O)c2c(O)nc3ccccn3c2=O)c1Cl)N1CCC(N)(CF)CC1
N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)c(N)n1 |r|
CN1C(Cc2ccccc2)C(O)=C(C(=O)Nc2cccc(Sc3ncc(nc3N)N3CCC(C)(N)CC3)c2Cl)C1=O |t:12|
C[C@@H]1OCCC2(CCN(CC2)c2cnc(Sc3cccc(C#Cc4cnn(C)c4)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCCC2(CCN(CC2)c2cnc(Sc3cccc(C#Cc4cccnc4)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#Cc4cccnc4)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#Cc4cnn(C)c4)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCCN(CC2)c2cnc(Sc3ccnc(C#Cc4ccncc4)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#CC4CC4)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#Cc4ccccn4)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCCCN(CC2)c2cnc(Sc3ccnc(C#CC4CCOCC4)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#CC4CCNCC4)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#Cc4cncn4C)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#Cc4cn(C)cn4)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#Cc4cnccn4)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#Cc4ccnn4C)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#Cc4cnc5cccnn45)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#Cc4c(C)noc4C)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#CC4CCN(CC4)C(C)=O)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#Cc4ccn(C)n4)c3Cl)c(N)n2)[C@@H]1N |r|
CC(C)n1cc(cn1)C#Cc1nccc(Sc2ncc(nc2N)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl |r|
CCn1cc(cn1)C#Cc1nccc(Sc2ncc(nc2N)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(C#Cc4cnn(c4)C4CC4)c3Cl)c(N)n2)[C@@H]1N |r|
O=S(=O)(F)Oc1ccc2c(c1)CCCN2c4n[nH]c5nc(N3CCCCC3)cnc45
O=S(=O)(F)Oc1cccc2c1CCCN2c4n[nH]c5nc(N3CCCCC3)cnc45
CC5(CN)CCN(c4cnc3c(N2CCCc1c(OS(=O)(=O)F)cccc12)n[nH]c3n4)CC5
O=S(=O)(F)c1cccc2c1CCCN2c4n[nH]c5nc(N3CCCCC3)cnc45
CC5(CN)CCN(c4cnc3c(N1CCCc2c1cccc2S(=O)(=O)F)n[nH]c3n4)CC5
CC5(CN)CCN(c4cnc3c(N2CCCc1cc(OS(=O)(=O)F)ccc12)n[nH]c3n4)CC5
C[C@@H]6OCC5(CCN(c4cnc3c(N2CCCc1cc(OS(=O)(=O)F)ccc12)n[nH]c3n4)CC5)[C@@H]6N
O=S(=O)(F)Oc4cnc3c(N2CCCc1ncccc12)n[nH]c3n4
COC(=O)C4(c3cnc2c(c1cccc(Cl)c1F)n[nH]c2n3)CCCCC4
Fc1c(Cl)cccc1c3n[nH]c4nc(C2CCNCC2)cnc34
NC(=O)C4(c3cnc2c(c1cccc(Cl)c1F)n[nH]c2n3)CCCCC4
OCC4(c3cnc2c(c1cccc(Cl)c1F)n[nH]c2n3)CCCCC4
NC4CCN(C(=O)c3cnc2c(c1cccc(Cl)c1F)n[nH]c2n3)C4
CC4(CN)CCN(C(=O)c3cnc2c(c1cccc(Cl)c1F)n[nH]c2n3)C4
CN(CCN)C(=O)c3cnc2c(c1cccc(Cl)c1F)n[nH]c2n3
OC4(c3cnc2c(c1cccc(Cl)c1F)n[nH]c2n3)CCCCC4
NCc4ccn(Cc3cnc2c(c1cccc(Cl)c1F)n[nH]c2n3)n4
NCc1ccccc1c5cnc4c(N3CCCc2ncccc23)n[nH]c4n5
CC(C)(CN)c3cnc2c(c1cccc(Cl)c1F)n[nH]c2n3
CC(C)(CN)c4cnc3c(N2CCCc1ncccc12)n[nH]c3n4
NCC1CCCCN1C(=O)c4cnc3c(c2cccc(Cl)c2F)n[nH]c3n4
C[C@@]5(CN)CC[C@@H](c4cnc3c(N2CCCc1ncccc12)n[nH]c3n4)CC5
C[C@@]5(CN)CC[C@H](c4cnc3c(N2CCCc1ncccc12)n[nH]c3n4)CC5
C[C@@]5(CN)CC=C(c4cnc3c(N2CCCc1ncccc12)n[nH]c3n4)CC5
C[C@]5(CN)CC=C(c4cnc3c(N2CCCc1ncccc12)n[nH]c3n4)CC5
C[C@H]5CCN(c2n[nH]c3nc([C@@H]1CC[C@H](CN)CC1)cnc23)c4ccc(C#N)cc45
C[C@H]5CCN(c2n[nH]c3nc([C@@H]1CC[C@@H](CN)CC1)cnc23)c4ccc(C#N)cc45
CC4(CN)CCN(c3nc2[nH]nc(c1cccc(Cl)c1F)c2nc3C#N)CC4
CC4(CN)CCN(c3nc2[nH]nc(c1cccc(Cl)c1F)c2nc3C(N)=O)CC4
CC4(N)CCN(c3nc2[nH]nc(c1cccc(Cl)c1F)c2nc3C(N)=O)CC4
CC4(N)CCN(c3nc2[nH]nc(c1cccc(Cl)c1F)c2nc3C(=O)O)CC4
CC5(CN)CCN(c4nc3[nH]nc(N2CCCc1ncccc12)c3nc4O)CC5
Cc4nc3c(N2CCCc1ncccc12)n[nH]c3nc4N5CCC(C)(CN)CC5
CC5(CN)CCN(c4nc3[nH]nc(N2CCCc1ncccc12)c3nc4C#N)CC5
CC5(CN)CCN(c4nc3[nH]nc(N2CCCc1ncccc12)c3nc4C(N)=O)CC5
COC(=O)c4nc3c(N2CCCc1ncccc12)n[nH]c3nc4N5CCC(C)(CN)CC5
COc4nc3c(N2CCCc1ncccc12)n[nH]c3nc4N5CCC6(CC5)CO[C@@H](C)[C@H]6N
CC5(CN)CCN(c4nc3[nH]nc(N2CCCc1ncccc12)c3nc4CO)CC5
C[C@@H]6OCC5(CCN(c4nc3[nH]nc(N2CCCc1ncccc12)c3nc4C#N)CC5)[C@@H]6N
Cc4nc3c(N2CCCc1ncccc12)n[nH]c3nc4N5CCC6(CC5)CO[C@@H](C)[C@H]6N
C[C@@H]6OCC5(CCN(c4nc3[nH]nc(N2CCCc1ncccc12)c3nc4CO)CC5)[C@@H]6N
COCc4nc3c(N2CCCc1ncccc12)n[nH]c3nc4N5CCC(C)(CN)CC5
CC5(CN)CCN(c4nc3[nH]nc(N1CCCc2c1cccc2S(C)(=O)=O)c3nc4CO)CC5
C[C@H]6CCN(c3n[nH]c4nc(N1CCC2(CC1)CO[C@@H](C)[C@H]2N)c(CO)nc34)c5ccc(C#N)cc56
C[C@H]7CCN(c3n[nH]c4nc(N1CCC2(CC1)CO[C@@H](C)[C@H]2N)c(CO)nc34)c6ccc(c5cnn(C)c5)nc67
C[C@@H]5OCC4(CCN(c3nc2[nH]nc(c1cccc(Cl)c1F)c2nc3CO)CC4)[C@@H]5N
C[C@@H]7OCC6(CCN(c5nc4[nH]nc(N3CCCc2nc(c1ccn[nH]1)ccc23)c4nc5CO)CC6)[C@@H]7N
COC7CC(N6CCN(c3n[nH]c4nc(N1CCC2(CC1)CO[C@@H](C)[C@H]2N)c(CO)nc34)c5ccc(C#N)cc56)C7
C[C@@H]6OCC5(CCN(c4nc3[nH]nc(c1cccc2ncccc12)c3nc4CO)CC5)[C@@H]6N
CC(=O)N6CCN(c3n[nH]c4nc(N1CCC2(CC1)CO[C@@H](C)[C@H]2N)c(CO)nc34)c5ccccc56
C[C@@H]6OCC5(CCN(c4nc3[nH]nc(c2ccc1occc1c2)c3nc4CO)CC5)[C@@H]6N
CN(c4cnc3c(N2CCCc1ncccc12)n[nH]c3n4)c5ncccc5CN
CN(c3cnc2c(c1cccc(Cl)c1F)n[nH]c2n3)c4ncccc4CCN
CN(c4cnc3c(N2CCCc1ncccc12)n[nH]c3n4)c5ncccc5CCN
C[C@@H](N)Cc1cccnc1N(C)c5cnc4c(N3CCCc2ncccc23)n[nH]c4n5
C[C@H](N)Cc1cccnc1N(C)c5cnc4c(N3CCCc2ncccc23)n[nH]c4n5
CC(=O)c3nc(Sc2cccc(c1ncco1)c2Cl)c(N)nc3N4CCC6(CC4)Oc5ccccc5[C@H]6N
CC(=O)c1nc(Sc2cccc(-c3ncco3)c2Cl)cnc1N1CCC2(CC1)Oc1ccccc1[C@H]2N
COC(=O)c1nc(Sc2cccc(-c3ncco3)c2Cl)c(N)nc1N1CCC2(CC1)Oc1ccccc1[C@H]2N
COC(=O)c1nc(Sc2cccc(-c3ccn(C)n3)c2Cl)cnc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
Nc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)c(C2COC2)nc1Sc1cccc(-c2ncco2)c1Cl
C=Cc1nc(Sc2cccc(-c3ncco3)c2Cl)c(N)nc1N1CCC2(CC1)Oc1ccccc1[C@H]2N
Nc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)c(F)nc1Sc1cccc(-c2ncco2)c1Cl
CC(=O)c1nc(Sc2ccnc(-c3ncco3)n2)c(N)nc1N1CCC2(CC1)Oc1ccccc1[C@H]2N
[2H][C@@]1(N)c2ccccc2OC12CCN(c1nc(N)c(Sc3ccnc(N)c3C)nc1C(C)=O)CC2
[2H][C@@]1(N)c2ccccc2OC12CCN(c1nc(N)c(Sc3ccnc(N)n3)nc1C(C)=O)CC2
COC(=O)c1nc(Sc2ccnc(N)c2C)c(N)nc1N1CCC2(CC1)Oc1ccccc1[C@H]2N
[2H][C@@]1(N)c2ccccc2OC12CCN(c1nc(N)c(Sc3ccnc(N)c3C)nc1C(=O)OC)CC2
[2H][C@@]1(N)c2ccccc2OC12CCN(c1nc(N)c(Sc3cccc(-c4ncco4)c3C)nc1C(C)=O)CC2
[2H][C@@]1(N)c2ccccc2CC12CCN(c1nc(N)c(Sc3cccc(-c4ncco4)c3C)nc1C(C)=O)CC2
CC(=O)c1nc(Sc2ccnc(N)c2Cl)c(N)nc1N1CCC2(CC1)Oc1ccccc1[C@H]2N
Nc1ccc(NC(=O)c2cc(-c3ccc(/C=C4Sc5ccccc5C4=O)o3)ccc2O)cc1
O=C(Nc1ccccc1)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O
O=C1CCC/C1=Cc1ccc(-c2ccc(O)c(C(=O)Nc3ccccc3)c2)o1
N#Cc1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O
O=C1CCC/C1=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1
O=C(O)c1cc(-c2ccc(/C=C3Oc4ccccc4C3=O)o2)ccc1O
Nc1cccc(NC(=O)c2cc(-c3ccc(/C=C4Sc5ccccc5C4=O)o3)ccc2O)c1
O=C(O)c1cc(-c2ccc(/C=C3Cc4ccccc4C3=O)o2)ccc1O
OC(=O)c1cc(ccc1O)-c1ccc(\C=C2/Sc3ccccc3C2=O)o1
O=C(NNc1ccccc1)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O
O=C1/C(=C/c2ccc(-c3ccc(O)c(C(=O)N4CCCCC4)c3)o2)Sc2ccccc21
CC(C)NC(=O)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O
O=C1CCCC/C1=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1
O=C(Nc1ccccc1)c1cccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)c1
O=C(NCc1ccccc1)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O
O=C1/C(=C/c2ccc(-c3ccc(O)cc3)o2)Sc2ccccc21
COc1ccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)cc1C(=O)Nc1ccccc1
O=C1/C(=C/c2ccc(-c3ccc(O)c(C(=O)N4CCNCC4)c3)o2)Sc2ccccc21
CC(C)NC(=O)c1cccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)c1
O=C(Nc1ccccc1)c1cc(-c2ccco2)ccc1O
O=C(NCCO)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O
CN1CCN(C(=O)c2cc(-c3ccc(/C=C4Sc5ccccc5C4=O)o3)ccc2O)CC1
O=C(Nc1ccccc1)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1F
O=C1/C(=C/c2ccc(-c3ccccc3)o2)Sc2ccccc21
CC(C)NC(=O)c1cc(-c2ccc(/C=C3Oc4ccccc4C3=O)o2)ccc1O
C/C=C1CC/C(=Cc2ccc(-c3ccc(O)c(C(=O)O)c3)o2)C1=O
O=C(O)c1ccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)cc1
O=C(Nc1ccccc1)c1cc(F)cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)c1
O=C(O)c1cccc(-c2cccc(/C=C3Sc4ccccc4C3=O)c2)c1
O=C(O)c1cccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)c1
O=C(O)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1F
COc1cccc(NC(=O)c2cccc(-c3ccc(/C=C4Sc5ccccc5C4=O)o3)c2)c1
O=C(O)c1cccc(-c2ccc(/C=C3Cc4ccccc4C3=O)o2)c1
COc1ccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)cc1C(=O)O
O=C1CCC/C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1
O=C(/C=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1)c1ccccc1
O=C(Nc1ccc2ccccc2n1)c1cccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)c1
O=C1NC(=O)/C(=C/c2ccc(-c3cccc(C(=O)Nc4ccccc4)c3)o2)S1
O=C1/C(=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)CCC/C1=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1
O=C(/C=C/c1ccc(-c2cccc(C(=O)O)c2)o1)/C=C/c1ccc(-c2cccc(C(=O)O)c2)o1
O=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)CC/C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1
O=C(/C=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1)c1cccc(C(=O)/C=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)c1
O=C1/C(=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)CC/C1=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1
O=C(O)c1cccc(-c2ccc(/C=C/C(=O)c3cccc(C(=O)/C=C/c4ccc(-c5cccc(C(=O)O)c5)o4)c3)o2)c1
N#Cc1cccc(-c2ccc(/C=C/C(=O)/C=C/c3ccc(-c4cccc(C#N)c4)o3)o2)c1
O=C1/C(=C/c2ccc(O)c(C(=O)O)c2)CC/C1=Cc1ccc(O)c(C(=O)O)c1
O=C(/C=C/c1ccc(Br)o1)c1cccc(C(=O)/C=C/c2ccc(Br)o2)c1
Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(CO)nc1-c1cccc(Cl)c1Cl |r|
Cc1nc(N2CCC3(CC2)Cc2ccc(C#N)cc2[C@H]3N)c(CO)nc1-c1cccc(Cl)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F
Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(NC2CC2)c1Cl
Nc1nccc(Sc2c(N)nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)n3ccnc23)c1Cl
Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F
Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)C2
Cc1cc2c(cc1F)CC1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)[C@@H]2N
CC1N=C(N2CCC(C)(N)CC2)N2C=CNC2C1c1cccc(Cl)c1Cl
Nc1nccc(Sc2c(CF)nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)n3ccnc23)c1Cl
Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ncsc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1-c1ccnc(N)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1-c1cccnc1C(F)(F)F
Cc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
Cc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2cnnc2c1Sc1ccnc(N)c1Cl
Cc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ncnc2c1Sc1ccnc(N)c1Cl
Cc1nc(N2CCC3(CC2)Cc2ccccc2C3N)n2ccnc2c1Sc1ccnc(N)c1Cl
CC1(N)CCN(C2=NCC(c3cccc(Cl)c3Cl)C3NC=CN23)CC1
Cc1nc(N2CCC(C)(N)CC2)n2ncnc2c1-c1cccc(Cl)c1Cl
Cc1nc(N2CCC(C)(N)CC2)n2cnnc2c1-c1cccc(Cl)c1Cl
Cc1cc(N2CCC(C)(N)CC2)n2cnnc2c1-c1cccc(Cl)c1Cl
Cc1cc(N2CCC(C)(C)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl
Cc1nc(N2CCC(C)(N)CC2)n2ccnc2c1Sc1cccc(Cl)c1Cl
CC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)c3nccn23)CC1
CC1(N)CCN(c2nc(CF)c(-c3cccc(Cl)c3Cl)c3nccn23)CC1
CC1=NC(N2CCC3(CC2)CO[C@H](C)[C@@H]3N)N2C=CNC2=C1Cc1ccnc(N)c1Cl
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(Cc1ccc(NS(O)(=O)=O)cc1)c1ccccc1
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
OS(=O)(=O)Nc1ccc(CN(C(=O)c2cccnc2Cl)c2nc(cs2)-c2ccccc2)cc1
COc1cccc(c1)S(=O)(=O)N(Cc1ccc(NS(O)(=O)=O)cc1)c1nc(cs1)-c1ccccc1
OS(=O)(=O)Nc1ccc(CNc2nc(cs2)-c2cccs2)cc1
[O-][N+](=O)c1ccc(CNc2ccccc2)cc1
Oc1c(cc(c2cccnc12)S(O)(=O)=O)\N=N\c1ccc2cc(ccc2c1)S(O)(=O)=O
OS(=O)(=O)c1ccc(N\N=C2\C(=O)N(N=C2c2ccc(cc2)[N+]([O-])=O)c2ccccc2)cc1 |c:14|
COc1cccc(-c2nnc3n(Cc4ccccc4Cl)c(=O)c4ccccc4n23)c1O
COc1cccc(-c2nnc3n(Cc4ccc(cc4Cl)C(=O)N4CCC[C@H]4C(O)=O)c(=O)c4ccccc4n23)c1O |r|
OC(=O)c1ccc(O)c(c1)-c1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12
C[C@@H]1COC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
C=CC(=O)Nc1ccnc2ccccc12
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O
NC(Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)NC1(CCCCC1)C(=O)NC(CC(N)=O)C(N)=O
CCC(CN(C(=O)C(O)=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1)C(O)=O
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O
COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Nc1nc(N)c2nc(CN3CCN(Cc4ccc(cc4)-c4ccccc4)CC3)nnc2n1
Nc1nc(N)c2nc(CN3CCN(Cc4ccccc4)CC3)nnc2n1
CCN(CC)Cc1nnc2nc(N)nc(N)c2n1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2nccs2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(Br)c2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(F)c2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(I)c2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccc(cc2)C#N)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2cccc(c2)C#N)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccccc2-c2ccc(CO)o2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccco2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccc(cc2)C#N)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccsc2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(O)=O)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(cc2)-c2ccsc2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(OCc3ccccc3)c(Cl)c2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2cccc(OCc3ccccc3)c2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2cccc(c2)-c2ccccc2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)N2CCc3cc(Br)ccc23)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1
CC(C)c1ccc(NC(=O)CCC(=O)Nc2cccc(c2)-c2c(I)c3cc(C(O)=O)c(O)cc3n2C)cc1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)NCc2ccc3OCOc3c2)c1
CCCN(CC1CC1)C(=O)CCC(=O)Nc1cccc(c1)-c1c(I)c2cc(C(O)=O)c(O)cc2n1C
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2nccs2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(F)cc2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2nnc(s2)-c2ccccc2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-n2ccnc2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(Cl)c2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2nc3ccccc3s2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(I)cc2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)N2CCc3cc(Br)ccc23)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(OCc3ccccc3)c2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccccc2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2nc3ccc(Br)cc3s2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(OCc3ccccc3)c(Cl)c2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccccc2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(O)=O)c1
CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r|
COc1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
COc1cccc(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
COc1ccccc1C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Fc1ccccc1C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Fc1cccc(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Fc1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
[O-][N+](=O)c1ccccc1C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
[O-][N+](=O)c1cccc(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
[O-][N+](=O)c1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Brc1ccc(Br)c(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Brc1ccc(Br)c(c1)C(=O)OCCCOc1ccc(cc1)C(=O)OC1CSSC1
Brc1ccc(Br)c(c1)C(=O)OCCCCCCc1ccc(cc1)C(=O)OC1CSSC1
Brc1ccc(Br)c(c1)C(=O)OCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
CCCCC(Oc1cc(O)c(cc1C#Cc1ccccc1OC(F)(F)F)C(O)=O)C(=O)NC1CCCCC1
CC\C(C=C)=C/C(=O)C[C@H](C)C[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@@H](C)C1=C(C)C(=O)OC1=O |r,c:35|
OS(=O)(=O)c1ccc(cc1)N=Nc1c([nH]n(-c2ccccc2)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:10.10|
CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(O)=O
CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)c2ccccc2NC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)C(O)=O
CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)C(O)=O
OC1=NC(=O)C(S1)=Cc1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |w:7.8,t:1,TLB:20:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Oc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(cc1Cl)-c1nnn[nH]1 |TLB:6:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7|
NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1 |t:8|
OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
CC(C)c1ccc(NC(=O)C(=O)Nc2ccc(NC(=O)C(c3ccccc3)S(O)(=O)=O)cc2)cc1
OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccccc2)cc1)c1ccccc1
COC(=O)CN(c1ccc(CN(c2ccc(cc2)N(Cc2ccccc2)S(C)(=O)=O)S(=O)(=O)Cc2ccccc2)cc1)S(C)(=O)=O
Brc1ccc(s1)-c1noc(Cc2c[nH]c3ccccc23)n1
Brc1cccc(c1)-c1noc(Cc2c[nH]c3ccccc23)n1
Brc1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
Nc1ccc(cc1)-c1ccc(s1)-c1noc(Cc2c[nH]c3ccccc23)n1
Cc1ccccc1-c1ccc(s1)-c1noc(Cc2c[nH]c3ccccc23)n1
Cc1cccc(c1)-c1ccc(s1)-c1noc(Cc2c[nH]c3ccccc23)n1
CCc1ccc(cc1)-c1ccc(s1)-c1noc(Cc2c[nH]c3ccccc23)n1
CCCc1ccc(cc1)-c1ccc(s1)-c1noc(Cc2c[nH]c3ccccc23)n1
CCCCc1ccc(cc1)-c1ccc(s1)-c1noc(Cc2c[nH]c3ccccc23)n1
CCOc1ccc(cc1)-c1ccc(s1)-c1noc(Cc2c[nH]c3ccccc23)n1
CCCOc1ccc(cc1)-c1ccc(s1)-c1noc(Cc2c[nH]c3ccccc23)n1
COC(=O)CCCOc1ccc(cc1)-c1ccc(s1)-c1noc(Cc2c[nH]c3ccccc23)n1
Oc1ccc(cc1)-c1cccc(c1)-c1noc(Cc2c[nH]c3ccccc23)n1
Nc1ccc(cc1)-c1cccc(c1)-c1noc(Cc2c[nH]c3ccccc23)n1
Cc1ccccc1-c1cccc(c1)-c1noc(Cc2c[nH]c3ccccc23)n1
Cc1cccc(c1)-c1cccc(c1)-c1noc(Cc2c[nH]c3ccccc23)n1
CCCc1ccc(cc1)-c1cccc(c1)-c1noc(Cc2c[nH]c3ccccc23)n1
CCCCc1ccc(cc1)-c1cccc(c1)-c1noc(Cc2c[nH]c3ccccc23)n1
CCOc1ccc(cc1)-c1cccc(c1)-c1noc(Cc2c[nH]c3ccccc23)n1
CCCOc1ccc(cc1)-c1cccc(c1)-c1noc(Cc2c[nH]c3ccccc23)n1
COC(=O)CCCOc1ccc(cc1)-c1cccc(c1)-c1noc(Cc2c[nH]c3ccccc23)n1
Oc1ccc(cc1)-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
Cc1ccccc1-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
Cc1cccc(c1)-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
CCCCc1ccc(cc1)-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
CCOc1ccc(cc1)-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
CCCOc1ccc(cc1)-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
COC(=O)CN(c1ccc(CN(c2ccc(OCc3ccc(C)cc3)c(c2)C(=O)OC)S(=O)(=O)Cc2ccccc2)cc1)S(C)(=O)=O
OC(=O)c1cccc(N\N=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)c1
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nc7ccccc7nc6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cncnc6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6sc(N)nc6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnn(c6C(C)(C)[C@@H]5CC[C@@]34C)-c3ccccc3)[C@@H]2C1)C(O)=O |r,c:10|
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn[nH]c6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Cn1c(c(-c2cn(CCC(=O)Nc3ccc(cc3)-c3ccccc3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
Cn1c(c(-c2cn(CC(=O)Nc3ccc(cc3)N3CCOCC3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
Cn1c(c(-c2cn(CC(=O)NC3c4ccccc4-c4ccccc34)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
Cn1c(c(-c2cn(CC(=O)Nc3nc4ccccc4s3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
Cn1c(c(-c2cn(CCCCC(=O)N3c4ccccc4Sc4ccccc34)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
Cn1c(c(C#C)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
Cn1c(c(-c2cn(CC(=O)Nc3ccc(cc3)-c3ccccc3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
Cn1c(c(-c2cn(CCCC(=O)Nc3ccc(cc3)-c3ccccc3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
Cn1c(c(-c2cn(CCC(=O)Nc3ccccc3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 |r|
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccccc1
CCCCCCCCCCCCCCCCCC(=O)c1cc([nH]n1)C(=O)Nc1ccccc1C(O)=O
CCCCCCCCCCCCCCCCCC(=O)c1cc([nH]n1)C(=O)Nc1ccsc1C(O)=O
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2OP(O)(O)=O |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2O |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OP(O)(O)=O |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]44CCNP(=O)(O4)N(CCCl)CCCl)[C@@H]3CCc2c1 |r|
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)C4=CC=c5c(cc(O)c(O)c5=C)[C@]4(C)CC[C@@]23C)CC1=O |r,c:12,t:10|
OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
COC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CNC(=O)c2ccccc2)nn1 |r|
OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CNC(=O)c2ccccc2)nn1 |r|
OC[C@@H](C(O)=O)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
C[C@@H](O)[C@@H](CO)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
OC[C@@H](C(O)=O)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
C[C@@H](O)[C@@H](C(O)=O)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
OC(=O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
OC(=O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
C(N[C@@H]1C[C@H]2OC[C@@H]([C@H]2O1)n1nnnc1-c1cccc(CN2CCCC2)c1)C1CCCCC1 |r|
Oc1c(cc(c2cccnc12)S([O-])(=O)=O)N=Nc1ccc2cc(ccc2c1)S([O-])(=O)=O |w:15.16|
CO[C@H]1O[C@H](Cn2cc(CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |r|
CO[C@H]1O[C@H](Cn2cc(COC[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |r|
CO[C@H]1O[C@H](Cn2cc(CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |r|
CO[C@H]1O[C@H](Cn2cc(COC[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |r|
CO[C@H]1O[C@H](Cn2cc(CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |r|
CC(C)(C)OC(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(O)=O |r|
C[C@H](OCc1cn(nn1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(O)=O |r|
CC(C)(C)OC(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|
CO[C@H]1O[C@H](Cn2cc(COC[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |r|
CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc(c3)C(O)=O)cc12
Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O
Cc1cc(ccc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O
OC(=O)c1cc(=O)n([nH]1)-c1ccc(cc1)S(O)(=O)=O
CC(=O)N(c1ccc2oc3CCCCc3c2c1)S(=O)(=O)c1ccc(cc1)C(O)=O
CO[C@H]1O[C@H](COCc2cn(CCCCOc3ccc(O)c(c3)C(O)=O)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r|
CO[C@H]1O[C@H](COCc2cn(CCCCCOc3ccc(O)c(c3)C(O)=O)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r|
CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1)c1ccccc1O |r|
CCOP(=O)(OCC)[C@H](Nc1ccc(Br)cc1)c1ccccc1O |r|
CCOP(=O)(OCC)[C@H](Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1O |r|
CCOP(=O)(OCC)[C@H](Nc1ccccc1Cl)c1ccccc1O |r|
Oc1ccc(N[C@H](c2ccccc2O)P(O)(O)=O)cc1 |r|
CCOP(O)(=O)C(N[C@@H](CO)C([O-])=O)c1ccccc1O |r|
CCOP(O)(=O)C(N[C@@H](Cc1cnc[nH]1)C([O-])=O)c1ccccc1O |r|
CCOP(O)(=O)C(N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O)c1ccccc1O |r|
CCOP(O)(=O)C(N[C@@H](CS)C([O-])=O)c1ccccc1O |r|
CCOP(O)(=O)C(N[C@@H](Cc1ccccc1)C([O-])=O)c1ccccc1O |r|
CCOP(O)(=O)C(N[C@@H](Cc1ccc(O)cc1)C([O-])=O)c1ccccc1O |r|
CCOP(O)(=O)C(NCCCCCCNC(c1ccccc1O)P(O)(=O)OCC)c1ccccc1O
CCOP(O)(=O)C(NCCCNC(c1ccccc1O)P(O)(=O)OCC)c1ccccc1O
CCOP(O)(=O)C(NCCNC(c1ccccc1O)P(O)(=O)OCC)c1ccccc1O
CCOP(O)(=O)C(NCC([O-])=O)c1ccccc1O
CCOP(O)(=O)C(N[C@@H](C)C([O-])=O)c1ccccc1O |r|
CCOP(O)(=O)C(N[C@@H]([C@@H](C)O)C([O-])=O)c1ccccc1O |r|
Oc1cc(cc(Br)c1O)C(=O)OCC(COC(=O)c1cc(O)c(O)c(Br)c1)OC(=O)c1cc(O)c(O)c(Br)c1
Oc1cc(cc(Br)c1O)C(=O)OC[C@H]1OC(OC(=O)c2cc(O)c(O)c(Br)c2)[C@H](OC(=O)c2cc(O)c(O)c(Br)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(Br)c1 |r|
CC1(C)CC(CC(C)(C)N1)Nc1nc(cs1)-c1ccccc1
OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1
[O-]P([O-])(=O)C(F)(F)c1ccc(COCCOCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1
OP(O)(=O)C(F)(F)c1ccc(COc2cccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)c2)cc1
[O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1
OP(O)(=O)C(F)(F)c1ccc(COc2ccccc2OCc2ccc(cc2)C(F)(F)P(O)(O)=O)cc1
CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(CC)cc3)cc2)cc1
CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1
CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)cc2)cc1
CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3cccc(c3)C(F)(F)F)cc2)cc1
CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(Br)cc3Cl)cc2)cc1
OC(=O)c1cc2c(-c3cn(CCCC(=O)Nc4cccc5ccccc45)nn3)c(oc2cc1O)-c1ccccc1
CCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(O)=O)c(CCC)c1
CCCc1cc(O)cc(OC(=O)c2c(O)cc(O)cc2CCC)c1
CCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)Oc2cc(O)c(C(O)=O)c(CCC)c2)c(CCC)c1
CCCc1cc(O)cc(O)c1C(O)=O
CCCc1cc(OC)cc(OC)c1C(O)=O
CCC\C=C\C=C\CCc1cc(O)cc(O)c1C(O)=O
CCCCc1ccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)cc1
COc1ccc(cc1)N1CCN(CC1)C(C(C)NC(=O)C(=O)NCc1ccco1)c1cccs1
CC(NC(=O)C(=O)NCc1cccnc1)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1
Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1Br
CC1(N)CCN(CC1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2s1
CC1(N)CCN(CC1)c1nc2ncc(Sc3cccnc3C(F)(F)F)nc2s1
CC1(N)CCN(CC1)c1nc2ncc(Sc3cccnc3C(F)(F)F)nc2[nH]1
CC1(N)CCN(CC1)c1nc2ncc(Sc3cccc(Cl)c3Cl)nc2[nH]1
CC1(N)CCN(CC1)c1nc2cnc(Sc3cccnc3C(F)(F)F)nc2[nH]1
CC1(N)CCN(CC1)c1nc2ccc(Sc3cccnc3C(F)(F)F)cc2[nH]1
CC1(N)CCN(CC1)c1nc2ncc(Sc3cccnc3C(F)(F)F)cc2[nH]1
Cn1c(nc2ncc(Sc3cccnc3C(F)(F)F)nc12)N1CCC(C)(N)CC1
Cn1c(nc2nc(Sc3cccnc3C(F)(F)F)cnc12)N1CCC(C)(N)CC1
Cc1nc2nc([nH]c2nc1Sc1cccc(Cl)c1Cl)N1CCC(C)(N)CC1
CC1(N)CCN(CC1)c1nc2ncc(Oc3cccc(Cl)c3Cl)nc2[nH]1
CC1(N)CCN(CC1)c1nc2ncc(nc2[nH]1)-c1cccc(Cl)c1Cl
NC1CCN(CC1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1
NC1CCCN(C1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1
CNC1CCN(CC1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1
N[C@@H]1CCCC11CCN(CC1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)[C@@H]1N |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc2nc(Sc3ccnc(N)c3Cl)cnc2[nH]1 |r|
CNc1nccc(Sc2cnc3[nH]c(nc3n2)N2CCC3(Cc4ccccc4[C@H]3N)CC2)c1Cl |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc2nc(Sc3ccncc3Cl)cnc2[nH]1 |r|
CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(c1)C(=O)OC
CCCOc1ccc(NC(=O)NCc2cc(OCC)c(NS(C)(=O)=O)cc2OCC)cc1C(=O)OC
CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(c1)C(=O)Nc1ccc(OC)c(OC)c1
OC(=O)c1cc2c(CCc3ccc(Oc4ccccc4)cc3)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(CCc3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(CCc3cccc(c3)C(F)(F)F)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(CCc3cccc(F)c3)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(\C=C/c3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(\C=C/c3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(C#Cc3ccc(Oc4ccccc4)cc3)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(C#Cc3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(C#Cc3cccc(c3)C(F)(F)F)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(C#Cc3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(C#Cc3ccc(F)cc3F)c(oc2cc1O)-c1ccccc1
COc1cccc(c1)C#Cc1c(oc2cc(O)c(cc12)C(O)=O)-c1ccccc1
OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(C#Cc3cccc(F)c3)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(C#Cc3ccccc3)c(oc2cc1O)-c1ccccc1
OCC#Cc1c(oc2cc(O)c(cc12)C(O)=O)-c1ccccc1
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C#Cc1c(oc2cc(O)c(cc12)C(O)=O)-c1ccccc1 |r,t:8|
OC(=O)c1cc2c(C#C)c(oc2cc1O)-c1ccccc1
COc1ccc(cc1)C(=O)CCc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1ccc(\C=C\C(=O)c2ccc(cc2)C#N)cc1
Cc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
c1cc(cc(c1)Cl)C#Cc2c3cc(c(cc3oc2c4ccc(cc4)OCC(=O)NC5CC5)O)C(=O)O
CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)OC1CSSC1
NS(=O)(=O)c1ccc(cc1)C(=O)OC1CSSC1
O=C(OC1CSSC1)c1ccco1
O=C(OC1CSSC1)c1ccoc1
CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
CC1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 |c:4|
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12
Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O)C(O)(P(O)(O)=O)P(O)(O)=O
CCCOc1c2Cc3cccc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O
CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O)C(P(O)(O)=O)P(O)(O)=O
CCCOc1c2Cc3cccc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O
OC(=O)c1ccc(F)c(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)c1 |r|
OC(=O)c1cc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)ccc1Cl |r|
OC(=O)c1ccc(F)cc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12 |r|
OC(=O)c1cccc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)c1 |r|
OC(=O)c1cccc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)C2CCCCC2)c1 |r|
COc1ccc2c(c1)sc1nc(O)c(Cc3ccccc3)c(=O)n21
C(Nc1ccc2nsnc2c1)c1cccs1
Nc1ccc2nsnc2c1
Nc1cc2nsnc2cc1Br
Nc1cc2nsnc2cc1C#Cc1ccccc1
C(Nc1ccc2nsnc2c1)c1ccccc1
[O-][N+](=O)c1cc2nsnc2cc1C#C
Nc1cc2nsnc2cc1C#CCCCCCl
Nc1cc2nsnc2cc1C#CC1CC1
Nc1cc2nsnc2cc1C#C
C(Nc1ccc2nsnc2c1)c1ccccn1
CC(C)(C)C#Cc1cc2nsnc2cc1N
OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O
OC(=O)[C@@H](Cc1ccccc1)N1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2Cl)-c2ccccc2)C1=O |r|
OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccc3ccccc3c2)-c2ccccc2)C1=O
Oc1ccc2cc(cc(O)c(=O)c2c1O)C#N
OC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1
NC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1
OC(=O)c1cc(O)c(=O)c2c(O)c(O)c(F)cc2c1
CCOC(=O)c1cc(O)c(=O)c2c(O)c(O)c(F)cc2c1
NC(=O)c1cc(O)c(=O)c2c(O)c(O)c(F)cc2c1
COC(=O)c1cc(O)c(=O)c2c(O)c(O)c(OC)cc2c1
Oc1ccc2cc(cc(O)c(=O)c2c1O)-c1nc(CCl)co1
CC(C)OC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1
COC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1
COC(=O)c1cc(O)c(=O)c2c(O)c(O)c(F)cc2c1
CC(C)OC(=O)c1cc(O)c(=O)c2c(O)c(O)c(F)cc2c1
CCOC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1
OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc3cc(OCc4ccc(F)cc4)ccc3c2)C1=O
OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc3cc(OCc4ccc(Br)cc4)ccc3c2)C1=O
Cc1ccc(COc2ccc3cc(\C=C4/SC(=S)N(C(Cc5c[nH]c6ccccc56)C(O)=O)C4=O)ccc3c2)cc1
OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2)C1=O
C[C@@H]1C(=O)N\C(=C/c2ccccc2)c2nc3c(O)cccc3c(=O)n12 |r|
CC[C@@H](C)C1=C2N=C3OC=CC=C[C@]3(OC)C(=O)N2[C@@H](Cc2ccccc2)C(=O)N1 |r,c:4,9,11,t:6|
C[C@@H]1C(=O)N[C@](O)(Cc2ccccc2)c2nc3OC=CC=Cc3c(=O)n12 |r,c:19,21|
Cc1ccc(Oc2ccc(cc2)-c2cnc(o2)-c2cc(O)c(O)c(Br)c2Br)cc1
CC(C)c1ccc(Oc2ccc(cc2)-c2cnc(o2)-c2cc(O)c(O)c(Br)c2Br)cc1
CCOc1ccc(Oc2ccc(cc2)-c2cnc(o2)-c2cc(O)c(O)c(Br)c2Br)cc1
Oc1cc(-c2ncc(o2)-c2ccc(Oc3ccccc3)cc2)c(Br)c(Br)c1O
COc1ccc(Oc2ccc(cc2)-c2cnc(o2)-c2cc(O)c(O)c(Br)c2Br)cc1
Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(N)CC1
C[C@@H]1OCC2(CCN(CC2)c2cc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N |r|
c1cc(c(c(c1)Cl)Cl)Sc2ccc3c(n2)[nH]c(n3)N
Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC(C)(N)CC1 |(59.5,-11.79,;59.5,-10.26,;60.84,-9.48,;60.83,-7.94,;59.5,-7.18,;59.49,-5.64,;58.17,-7.95,;56.84,-7.18,;55.51,-7.95,;54.17,-7.18,;54.17,-5.64,;55.5,-4.87,;55.5,-3.33,;56.84,-5.63,;58.17,-4.86,;58.17,-9.49,;56.84,-10.26,;62.17,-10.25,;62.17,-11.79,;63.5,-12.55,;64.83,-11.79,;66.16,-11.01,;66.17,-12.56,;64.83,-10.25,;63.5,-9.47,)|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(c[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(N)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(CCC[C@H]2N)CC1 |r|
COc1c2CC(C)(C)Cc2c2C(=O)OC(O)Cc2c1C=O
CC1(C)Cc2c(C1)c1C(=O)OC(O)Cc1c(C=O)c2O
CCOc1cc(O)c(cc1CN1CCC=C(C1)n1c2ccccc2[nH]c1=O)C(=O)\C=C\c1ccc(Cl)cc1Cl |c:15|
CCOS(=O)(=O)CCc1ccc(O[C@H]2CN(C[C@H]2Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)C(=O)C(=O)Nc2ccc(Oc3ccc(CC)cc3)cc2)cc1 |r|
CCOS(=O)(=O)CCc1ccc(O[C@H]2CN(C[C@H]2Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)C(=O)C(=O)Nc2ccccc2)cc1 |r|
CCOS(=O)(=O)CCc1ccc(O[C@H]2CN(C[C@H]2Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)C(=O)C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 |r|
CCCCCCCCCCc1ccc(NC(=O)C(=O)N2C[C@@H](Oc3ccc(CCS(=O)(=O)OCC)cc3)[C@@H](C2)Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)cc1 |r|
CCCCCCCCCCCCc1ccc(NC(=O)C(=O)N2C[C@@H](Oc3ccc(CCS(=O)(=O)OCC)cc3)[C@@H](C2)Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)cc1 |r|
CCCCCCCCCCCCc1ccc(NC(=O)C(=O)N2C[C@H](Oc3ccc(CCS(=O)(=O)OCC)cc3)[C@@H](C2)Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)cc1 |r|
CCOS(=O)(=O)\C=C\c1ccc(O[C@@H]2CNC[C@H]2Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)cc1 |r|
CCOS(=O)(=O)CCc1ccc(O[C@@H]2CN(C[C@H]2Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)C(=O)C(=O)Nc2ccc(Oc3ccc(CC)cc3)cc2)cc1 |r|
CCOS(=O)(=O)\C=C\c1ccc(O[C@@H]2CN(C[C@H]2Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)C(=O)C(=O)Nc2ccccc2)cc1 |r|
CCCCCCCCCCc1ccc(NC(=O)C(=O)N2C[C@H](Oc3ccc(CCS(=O)(=O)OCC)cc3)[C@@H](C2)Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)cc1 |r|
CCOS(=O)(=O)\C=C\c1ccc(O[C@@H]2CNC[C@@H]2Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)cc1 |r|
CCOS(=O)(=O)CCc1ccc(O[C@@H]2CN(C[C@H]2Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)C(=O)C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 |r|
Oc1c2cc(CP(O)(=O)c3ccccc3)cc1sc1cc(CP(O)(=O)c3ccccc3)cc(sc3cc(CP(O)(=O)c4ccccc4)cc(sc4cc(CP(O)(=O)c5ccccc5)cc(s2)c4O)c3O)c1O
Oc1c2cc(CP(O)(=O)c3ccccc3)cc1S(=O)(=O)c1cc(CP(O)(=O)c3ccccc3)cc(c1O)S(=O)(=O)c1cc(CP(O)(=O)c3ccccc3)cc(c1O)S(=O)(=O)c1cc(CP(O)(=O)c3ccccc3)cc(c1O)S2(=O)=O
Oc1c2Cc3cc(CP(O)(=O)c4ccccc4)cc(Cc4cc(CP(O)(=O)c5ccccc5)cc(Cc5cc(CP(O)(=O)c6ccccc6)cc(Cc1cc(CP(O)(=O)c1ccccc1)c2)c5O)c4O)c3O
C[C@H]1CN(C[C@@H](C)N1)c1ncc(c(N)n1)-c1cccc(Cl)c1Cl |r|
NC1CCN(CC1)c1ncc(c(N)n1)-c1cccc(Cl)c1Cl
[H][C@]12OC[C@H](n3nnnc3-c3cccc(CN4CCCC4)c3)[C@@]1([H])OC[C@@H]2NCC1CCCCC1 |r|
CNc1nc(cnc1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1
CC1(N)CCN(CC1)c1nnc(c(N)n1)-c1cccc(Cl)c1Cl
C[C@H]1CN(C[C@@H](C)N1)c1ncc(c(N)n1)-c1cccc(C)c1C |r|
C[C@H]1CN(C[C@@H](C)N1)c1ncc(c(N)n1)-c1cccc(Cl)c1 |r|
CC1(N)CCN(CC1)c1ncc(c(N)n1)-c1cccc(Cl)c1Cl
CN(C)C1CCN(CC1)c1ncc(c(N)n1)-c1cccc(Cl)c1Cl
C[C@H]1CN(C[C@@H](C)N1)c1ncc(c(N)n1)-c1ccc(Cl)c(Cl)c1 |r|
CC(=O)Nc1cccc(Sc2ncc(nc2N)N2CCC(C)(N)CC2)c1Cl
O=C(Nc1ccccc1)c1ccc(o1)-c1ccc(cc1)C(=O)Nc1ccccc1
O=C(Nc1ccccc1)c1ccc(s1)-c1ccc(cc1)C(=O)Nc1ccccc1
Fc1ccc(NC(=O)c2ccc(s2)-c2ccc(cc2)C(=O)Nc2ccc(F)cc2)cc1
O=C(NC1CCCCC1)c1ccc(s1)-c1ccc(cc1)C(=O)NC1CCCCC1
Fc1ccc(NC(=O)c2ccc([nH]2)-c2ccc(cc2)C(=O)Nc2ccc(F)cc2)cc1
Fc1ccc(NC(=O)c2cnc(s2)-c2ccc(cc2)C(=O)Nc2ccc(F)cc2)cc1
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C(O)=O
Oc1ccccc1-c1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2c1)-c1cccc(Cl)c1Cl
CC1(N)CCN(CC1)c1nc2sc(nn2c1CO)-c1cccc(Cl)c1Cl
C[C@@H]1OCC2(CCC(CC2)c2cnc3nc(Sc4ccnc(N5CCCC5)c4Cl)ccc3n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc(Oc4ccn(C)n4)c(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wD:34.39,1.0,(46.21,-15.08,;44.72,-15.48,;44.17,-16.91,;42.63,-16.83,;42.24,-15.35,;40.9,-16.1,;39.58,-15.33,;39.58,-13.79,;40.91,-13.02,;42.25,-13.8,;38.25,-13.02,;36.92,-13.78,;35.59,-13.02,;34.26,-13.79,;35.59,-11.48,;34.26,-10.72,;32.94,-11.49,;31.6,-10.73,;31.59,-9.18,;30.25,-8.42,;30.25,-6.88,;28.99,-5.99,;29.46,-4.52,;31,-4.51,;31.9,-3.26,;31.49,-5.98,;32.92,-8.41,;32.92,-6.87,;34.26,-9.18,;35.59,-8.4,;36.92,-10.7,;36.92,-9.16,;38.25,-11.48,;39.59,-10.71,;43.53,-14.51,;43.61,-12.97,)|
N[C@@H]1Cc2ccccc2C11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
N[C@@H]1c2cnccc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
N[C@@H]1c2ccncc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
CC[C@@H](C)C[C@@H](C)\C=C(/C)\C=C\C=C\C=C(/C)C(=O)c1c(O)c(cn(O)c1=O)-c1ccc(O)cc1 |r|
Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4cccc5ccccc45)nnc3c2c1
Cc1ccc(cc1)N1N=C(\C(=N\Nc2ccc(cc2)S(O)(=O)=O)C1=O)c1ccc(cc1)[N+]([O-])=O |c:9|
COc1ccc(cc1)N1N=C(\C(=N\Nc2ccc(cc2)S(O)(=O)=O)C1=O)c1ccc(cc1)[N+]([O-])=O |c:10|
OS(=O)(=O)c1ccc(N\N=C2/C(=O)N(N=C2c2ccc(cc2)[N+]([O-])=O)c2ccc(cc2)C(F)(F)F)cc1 |c:14|
OS(=O)(=O)c1ccc(N\N=C2/C(=O)N(N=C2c2ccc(cc2)[N+]([O-])=O)c2ccc(Cl)cc2)cc1 |c:14|
OS(=O)(=O)c1ccc(N\N=C2/C(=O)N(N=C2c2ccc(cc2)[N+]([O-])=O)c2ccc(cc2)[N+]([O-])=O)cc1 |c:14|
CCOC(=O)c1ccc(cc1)N1N=C(\C(=N\Nc2ccc(cc2)S(O)(=O)=O)C1=O)c1ccc(cc1)[N+]([O-])=O |c:13|
NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r|
CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)N
CC1(N)CCN(CC1)c1cnc(Cc2cccc(Cl)c2Cl)c(N)n1
CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)CN
N[C@H]1CCCC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
C[C@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)[C@@H]1N |r|
OS(=O)(=O)c1ccc(NC(=O)c2[nH]c(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1
OS(=O)(=O)c1ccc(cc1)-n1nc2c(nn(-c3ccccc3)c2n1)-c1ccc(cc1)[N+]([O-])=O
COc1ccc(cc1)-n1nc(-c2ccc(cc2)[N+]([O-])=O)c2cc(ccc12)-c1ccc(cc1)S(O)(=O)=O
COc1ccc(cc1)-n1cc(-c2ccc(cc2)[N+]([O-])=O)c2cc(cnc12)-c1ccc(cc1)S(O)(=O)=O
CC(C)n1cc(-c2ccc3nonc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-n1nc(-c2ccc3nonc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccc3C(=O)OCc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccc(C(O)=O)c(CO)c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccc3ccc(=O)oc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccc(cc2)[N+]([O-])=O)c2cc(cnc12)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccc(cc2)[N+]([O-])=O)c2cc(cnc12)-c1cccc(c1)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccc3nonc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccc3nonc3c2)c2cc(cnc12)-c1cccc(c1)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccc(cc2)C(F)(F)F)c2cc(cnc12)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccc(cc2)C(F)(F)F)c2cc(cnc12)-c1cccc(c1)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccncc2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccncc2)c2cc(cnc12)-c1cccc(c1)C(O)=O
COc1ccc(cc1)-n1cc(-c2cncnc2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccc3OCOc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccc(cc2)C#N)c2cc(cnc12)-c1ccc(cc1)C(O)=O
Cc1ccc(cc1)S(=O)(=O)n1cc(-c2ccc3nonc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-c1cnc2n(Cc3ccccc3)cc(-c3ccc4nonc4c3)c2c1
COc1ccc(Cn2cc(-c3ccc4nonc4c3)c3cc(cnc23)-c2ccc(cc2)C(O)=O)cc1
COc1cccc(c1)-n1cc(-c2ccc3nonc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-c1cnc2n(cc(-c3ccc4nonc4c3)c2c1)-c1ccccc1
OC(=O)c1ccc(cc1)-c1cnc2n(nc(-c3ccc4nonc4c3)c2c1)C1CCCCO1
COc1ccc(cc1)-n1cc(-c2ccc3nonc3c2)c2cc(cnc12)C(O)=O
COc1ccc(cc1)-n1cc(-c2ccc3nonc3c2)c2cc(\C=C\C(O)=O)cnc12
COc1ccc(cc1)-n1cc(-c2ccc3nonc3c2)c2cc(cnc12)C1=CCC(CC1)C(O)=O |t:31|
CCOC(=O)c1ccc(cc1)-c1cnc2n(cc(-c3ccc4nonc4c3)c2c1)-c1ccc(OC)cc1
COc1ccc(cc1)-n1cc(-c2ccc3nonc3c2)c2cc(cnc12)-c1ccc(NS(C)(=O)=O)cc1
COc1ccc(cc1)-n1cc(-c2ccc(cc2)C(O)=O)c2cc(cnc12)-c1ccc2nonc2c1
COc1ccc(cc1)-n1cc(-c2ccc(cc2)C(O)=O)c2cc(cnc12)-c1ccc(cc1)C(O)=O
CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)c5cc(c(c(c5)Br)O)Br
Cn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3CCC4(CC(F)(F)C[C@H]4N)CC3)c(CO)nc12 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc5nn(C)c(Cl)c5c4Cl)c3nc2CO)[C@@H]1N |r|
Cn1nc2ccc(-c3n[nH]c4nc(N5CCC6(CC(F)(F)C[C@H]6N)CC5)c(CO)nc34)c(Cl)c2c1Cl |r|
Cn1nc2ccc(-c3n[nH]c4nc(N5CCC6(C[C@H](F)C[C@H]6N)CC5)c(CO)nc34)c(Cl)c2c1Cl |r|
COc1cnc2ccc(-c3n[nH]c4nc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)nc34)c(Cl)c2n1 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4F)c3nc2CO)[C@@H]1N |r|
OS(=O)(=O)C(C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1nc2ccccc2s1)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1cnc2ccccc2c1)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1ccc(cc1)N1CCOCC1)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1ccc(cc1)-n1ccnc1)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1ccc2nc([nH]c2c1)C(F)(F)F)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1
Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(O)(=O)=O)cc1Br
[H][C@]12CC=C(CO)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |r,c:26,t:3|
[H][C@]12CC=C(CO)[C@@]1([H])[C@H](O)OC=C2C(=O)OC |r,c:13,t:3|
[H][C@]12CC=C(CO)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)Nc1ccccc1CC |r,c:26,t:3|
[H][C@]12CC=C(CO)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)Nc1ccc(Oc2ccc(cc2)C(C)(C)C)cc1 |r,c:26,t:3|
[H][C@]12CC=C(COCc3ccccc3)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]1OCc1ccccc1)OC=C2C(O)=O |r,c:66,t:3|
[H][C@]12CC=C(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)[C@@]1([H])[C@H](OC)OC=C2C(=O)Nc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1 |r,c:29,t:3|
[H][C@]12CC=C(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)[C@@]1([H])[C@H](OCc1ccccc1)OC=C2C(=O)Nc1ccc(Oc2ccc(Br)cc2Cl)cc1 |r,c:36,t:3|
[H][C@@]1(COC(=O)C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(N)c3Cl)c(N)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)CCC(=O)NCCCOCCOCCOCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)c3Cl)c(N)n2)[C@@H]1N |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCCCC[N+]1=C(\C=C\C=C2\N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,c:50|
N[C@@H]1COCC11CCN(CC1)c1cnc2c(Sc3cccc(Cl)c3Cl)n[nH]c2n1 |r|
NCC1CCN(CC1)c1ncc(cc1CO)-c1cccc(Cl)c1Cl
CCOC(=O)c1sc(nc1COc1ccc(Cl)cc1)-c1ccc(cc1)[N+]([O-])=O
CCOC(=O)c1sc(nc1COc1ccc(Cl)cc1)-c1ccc(OC)cc1
C[C@H]1Cc2c(O1)c(O)c1c(C(=O)CC3C(C)(C)[C@H](CC[C@]13C)OC(C)=O)c2O |r|
CCCCCCCCCCCC(=O)C1=C2C3=COC(C)=CC3=CC(=O)[C@]2(C)OC1=O |r,c:13,19,22,t:15|
CCCCCCCCCC[C@@H](C)C(=O)C1=C2C3=COC(C)=CC3=CC(=O)[C@]2(C)OC1=O |r,c:14,20,23,t:16|
[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)[C@H](C)C[C@@H](O)\C=C(/C)C(O)=O |r|
OS(=O)(=O)c1ccc(N\N=C2\C(=O)N(N=C2c2ccc(cc2)[N+]([O-])=O)c2ccc(cc2)[N+]([O-])=O)cc1 |c:14|
CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c(=O)[nH]1
CC1(N)CCN(CC1)c1nc2[nH]cc(-c3cccc(Cl)c3Cl)c2c(=O)[nH]1
CC1(N)CCN(CC1)c1nc(N)c(Sc2cccc(Cl)c2Cl)c2ncsc12
CC1(N)CCN(CC1)c1nc(N)c(Sc2cccc(Cl)c2Cl)c2nc[nH]c12
CC1(N)CCN(CC1)c1nc(N)c(Sc2cccc(Cl)c2Cl)c2nn[nH]c12
CC1CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c(=O)[nH]1
CNC1(C)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c(=O)[nH]1
CN(C)C1(C)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c(=O)[nH]1
NC1(CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c(=O)[nH]1)C(F)(F)F
CC1(CN)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c(=O)[nH]1
N[C@@H]1CCCC11CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c(=O)[nH]1 |r|
N[C@H]1CCCC11CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c(=O)[nH]1 |r|
CC1(N)CCN(CC1)c1nc2[nH]nc(Br)c2c(=O)[nH]1
CC1(N)CCN(CC1)c1nc2[nH]nc(-c3ccccc3)c2c(=O)[nH]1
CC1(N)CCN(CC1)c1nc2[nH]nc(-c3ccccc3Cl)c2c(=O)[nH]1
CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4)Cl)C(=O)N2)N
CC1(N)CCN(CC1)c1nc2[nH]nc(-c3ccccc3C(F)(F)F)c2c(=O)[nH]1
CC1(N)CCN(CC1)c1nc2[nH]nc(-c3ccncc3Cl)c2c(=O)[nH]1
CC1(N)CCN(CC1)c1nc2[nH]nc(-c3ccnc(Cl)c3Cl)c2c(=O)[nH]1
CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccnc3C(F)(F)F)c2c(=O)[nH]1
CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c1Cl
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
CCNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3nc2CO)[C@@H]1N |r|
CCCNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)c(CO)nc23)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2ccccc2Cl)[C@@H]1N |r,wU:25.29,1.0,(17.25,-26.79,;16.78,-25.32,;17.69,-24.08,;16.79,-22.83,;15.32,-23.3,;13.99,-24.07,;12.66,-23.3,;12.67,-21.76,;13.99,-20.98,;15.33,-21.76,;11.33,-20.99,;11.32,-19.45,;9.99,-18.68,;9.98,-17.14,;8.66,-19.46,;8.66,-21,;7.33,-21.77,;10,-21.77,;7.34,-18.69,;7.33,-17.14,;5.99,-16.38,;4.67,-17.15,;4.66,-18.69,;6,-19.46,;6,-21,;15.32,-24.84,;14.07,-25.74,)|
C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2cccc(Cl)c2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2ccc(Cl)cc2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2cccnc2C(F)(F)F)[C@@H]1N |r,wU:28.32,1.0,(14.7,-36.89,;14.24,-35.42,;15.15,-34.18,;14.25,-32.93,;12.78,-33.4,;11.45,-34.17,;10.12,-33.4,;10.12,-31.86,;11.45,-31.08,;12.79,-31.86,;8.79,-31.09,;8.78,-29.55,;7.45,-28.78,;7.44,-27.24,;6.12,-29.56,;6.12,-31.1,;4.79,-31.87,;7.45,-31.87,;4.79,-28.79,;4.79,-27.24,;3.45,-26.48,;2.12,-27.25,;2.12,-28.79,;3.46,-29.56,;3.45,-31.1,;4.99,-31.1,;4.22,-32.43,;2.12,-31.87,;12.77,-34.94,;11.52,-35.84,)|
CCNc1nccc(c1Cl)-n1c(C)nc(cc1=O)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r,wU:26.29,24.26,(13.54,-30.55,;14.87,-29.78,;16.21,-30.55,;17.54,-29.78,;17.54,-28.24,;18.87,-27.47,;20.21,-28.23,;20.21,-29.78,;18.88,-30.55,;18.87,-32.09,;21.54,-30.55,;21.54,-32.09,;20.21,-32.86,;22.87,-32.86,;24.21,-32.09,;24.2,-30.54,;22.87,-29.78,;22.86,-28.24,;25.54,-32.85,;25.54,-34.39,;26.87,-35.16,;28.2,-34.39,;29.67,-33.92,;30.57,-35.17,;29.66,-36.42,;30.12,-37.88,;28.19,-35.93,;26.94,-36.83,;28.21,-32.85,;26.87,-32.08,)|
C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(Cc3cccc(Cl)c3Cl)c(C)n2)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2Cl)[C@@H]1N |r,wD:27.31,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-1.98,-1.77,;-3.32,-1,;-4.65,-1.77,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-1.98,1.31,;-1.98,2.85,;-.65,.54,;.68,1.31,;4.76,-2.68,;5.08,-1.18,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2CO)[C@@H]1N |r,wU:28.32,1.0,(25.84,-49.27,;25.37,-47.8,;26.28,-46.56,;25.38,-45.31,;23.91,-45.78,;22.58,-46.55,;21.25,-45.78,;21.26,-44.24,;22.58,-43.46,;23.92,-44.24,;19.92,-43.47,;18.59,-44.25,;17.25,-43.48,;15.92,-44.25,;17.25,-41.94,;15.93,-41.17,;14.59,-41.94,;13.25,-41.17,;13.26,-39.63,;14.59,-38.86,;14.58,-37.32,;15.92,-39.62,;17.25,-38.84,;18.58,-41.17,;18.57,-39.63,;19.91,-41.93,;21.24,-41.15,;22.58,-41.91,;23.91,-47.32,;22.66,-48.22,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C#N)[C@@H]1N |r,wU:28.32,1.0,(36.85,-49.55,;36.39,-48.09,;37.3,-46.85,;36.4,-45.6,;34.93,-46.06,;33.6,-46.83,;32.27,-46.07,;32.27,-44.52,;33.6,-43.75,;34.94,-44.52,;30.94,-43.76,;29.6,-44.53,;28.27,-43.76,;26.94,-44.53,;28.27,-42.22,;26.94,-41.45,;25.61,-42.23,;24.27,-41.46,;24.27,-39.91,;25.6,-39.14,;25.6,-37.6,;26.94,-39.9,;28.27,-39.13,;29.6,-41.45,;29.59,-39.91,;30.93,-42.21,;32.26,-41.44,;33.58,-40.66,;34.92,-47.6,;33.67,-48.5,)|
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C(N)=O)[C@@H]1N |r,wU:29.33,1.0,(13.83,-60.24,;13.37,-58.77,;14.28,-57.53,;13.38,-56.28,;11.91,-56.75,;10.58,-57.52,;9.25,-56.75,;9.25,-55.21,;10.58,-54.43,;11.92,-55.21,;7.92,-54.44,;6.58,-55.22,;5.25,-54.45,;3.92,-55.22,;5.25,-52.91,;3.92,-52.14,;2.59,-52.91,;1.25,-52.14,;1.25,-50.6,;2.58,-49.83,;2.58,-48.29,;3.92,-50.59,;5.25,-49.82,;6.58,-52.14,;6.57,-50.6,;7.91,-52.9,;9.24,-52.12,;10.57,-52.89,;9.23,-50.58,;11.9,-58.29,;10.65,-59.19,)|
CC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)NCCCCC(=O)NO
CC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)NCc1ccc(\C=C\C(=O)NO)cc1
CC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)NCc1cccc(c1)C(=O)NO
CC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)NCc1ccc(cc1)C(=O)NO
CC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)NCC(=O)Nc1ccc(\C=C\C(=O)NO)cc1
CC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)NCC(=O)NCc1ccc(\C=C\C(=O)NO)cc1
CC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)NCc1ccc(cc1)C(=O)Nc1ccc(\C=C\C(=O)NO)cc1
CC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)NCc1ccc(cc1)C(=O)NCc1ccc(\C=C\C(=O)NO)cc1
CC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)NCc1ccc(cc1)C(=O)Nc1ccccc1N
COC(=O)c1cc(NC2=NC(=O)\C(S2)=C\c2ccc(C)cc2)ccc1O |t:8|
CC/C(=C\C(=O)C[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)O)O)/C=C
[H][C@@]12SCC(C[n+]3ccc(cc3)C(N)=O)=C(N1C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)S(O)(=O)=O)C(O)=O |r,c:15|
C[C@H]1COC2=C1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc21 |c:4|
COc1cc(ccc1O)[C@H]1Oc2cc3c(NC(=O)[C@@]3(O)CC#N)cc2[C@@H]1CO |r|
CC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)NCc1cn(CCOCCOCCOCCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nn1
C[C@@H]1OCC2(CCN(CC2)c2cnc(c(C)n2)-c2ccc(OCCOCCOCCCOCCCOCCCOCCCOCCOCCNCC(=O)COc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c(Cl)c2Cl)[C@@H]1N |r|
NCC1CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1
CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1ncc(nc1N)N1CCC(C)(N)CC1
CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(F)c1F
Nc1nc(cnc1-c1cccc(Cl)c1Cl)N1CCC(O)CC1
CN1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
CC1(O)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
NCCC1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Nc1nc(cnc1-c1cccc(Cl)c1Cl)N1CCNCC1
CN(CCN)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
CNC1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
NC1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N[C@H]1CCN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r|
CC1(N)CCN(CC1)c1cnc(Sc2cccc(Cl)c2)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2ccc(Cl)cc2)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2ccccc2)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2ccccc2F)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2ccccc2Br)c(N)n1
Cc1ccccc1Sc1ncc(nc1N)N1CCC(C)(N)CC1
COc1ccccc1Sc1ncc(nc1N)N1CCC(C)(N)CC1
CC1(N)CCN(CC1)c1cnc(SCc2ccccc2)c(N)n1
CC1(N)CCN(CC1)c1cnc(SCc2ccccc2Cl)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2cccc3ccccc23)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2ccc3ccccc3c2)c(N)n1
CC1(N)CCN(CC1)c1cnc(SC2CCCCC2)c(N)n1
CCOC(=O)C1=C(C)N=c2s\c(=C\c3ccco3)c(=O)n2C1c1ccco1 |c:5,t:8|
Cc1cc(Nc2ccc3c(C)cc(=O)oc3c2)n2nc(SCC=C)nc2n1
CN(C)C(=O)c1cc2cnc(Nc3ccc(Sc4cnc(cn4)N4CCC(C)(N)CC4)cn3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(Sc4cnc(cn4)N4CCC(C)(N)CC4)c(Cl)n3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3nccc(Sc4cnc(cn4)N4CCC(C)(N)CC4)c3Cl)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Sc3cnc(cn3)N3CCC(C)(N)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3nccc(Sc4cnc(cn4)N4CCC5(Cc6ccccc6[C@H]5N)CC4)c3Cl)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(Sc4cnc(cn4)N4CCC5(Cc6ccccc6[C@H]5N)CC4)c(Cl)n3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(Sc4cnc(cn4)N4CCC5(Cc6ccccc6[C@H]5N)CC4)c(Cl)c3)nc2n1C1CCCC1 |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(Sc3cnc(cn3)N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(Cl)n2)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2nccc(Sc3cnc(cn3)N3CCC4(Cc5ccccc5[C@H]4N)CC3)c2Cl)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2nccc(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c2Cl)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2cc(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)ccn2)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2cc(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c(Cl)cn2)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(Cl)c(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n2)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2cccc(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c2Cl)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c(Cl)n2)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2cc(Cl)c(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)cn2)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2cnc(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c(Cl)c2)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c(Cl)c2)ncc1F |r|
Cc1c(Br)cc(NC(=O)CS(O)(=O)=O)cc1Br
Cc1c(Br)cc(NC(=O)NS(O)(=O)=O)cc1Br
Clc1ccc(Cl)c(c1)C1=CC(=O)C=CC1=O |c:13,t:9|
Cc1cc(C)c2c(c1)[nH]c1nnc(SCC(=O)NCc3cccs3)nc21
CCCCCCN(Cc1ccc(cc1)C#Cc1ccc(CCCC)cc1)c1ccc(O)c(c1)C(O)=O
[O-][N+](=O)c1ccccc1NC(=O)CCn1cnc2sc3CCCCCc3c2c1=O
OS(=O)(=O)c1ccc(N\N=C2\C(NN(C2=O)c2ccccc2)c2ccc(cc2)[N+]([O-])=O)cc1
CCOC(=O)c1ccc(cc1)N1NC(\C(=N\Nc2ccc(cc2)S(O)(=O)=O)C1=O)c1ccc(cc1)[N+]([O-])=O
Cn1cc(-c2cn(CC(=O)Nc3nc4ccccc4s3)nn2)c2cc(C(O)=O)c(O)cc12
OS(=O)(=O)c1ccc2C(\N=N\c3ccccc3[N+]([O-])=O)C(=O)Nc2c1
COC(=O)c1cccc(N\N=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)c1
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2O)[C@@H]1N |r|
CCOc1cc(O)c(cc1CN1CCC=C(C1)C1C(=O)Nc2ccccc12)C(=O)\C=C\c1ccc(Cl)cc1Cl |c:15|
Cc1nc(N2CCC(C)(N)CC2)c(CO)nc1-c1cccc(Cl)c1Cl
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccccc1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(N)c1ccccc1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccc1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(N)c1ccccc1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccsc1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccn1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccc1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccn1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(N)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccsc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccn1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
[H][C@]12CCN(C[C@@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccnc1C(F)(F)F |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccsc1)c1cnc2c(n[nH]c2n1)-c1cccnc1C(F)(F)F |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)sc2c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccccn1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)n1ccc(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(cs1)C(F)(F)F)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
CCCCCCCCCOc1ccc(cc1C(O)=O)-c1ccc(cc1)C(O)=O
CCCCCCCCCOc1ccc(cc1C(O)=O)-c1cccc(c1)C(O)=O
CCCCCCCCCOc1ccc(cc1C(O)=O)-c1cccc(CC(O)=O)c1
CCCCCCCCCOc1ccc(-c2ccc(cc2)C(O)=O)c(c1)C(O)=O
CCCCCCCCCOc1ccc(cc1C(O)=O)-c1ccccc1C(O)=O
CCCCCCCCCOc1ccc(c(c1)C(O)=O)-c1ccccc1C(O)=O
CCCCCCCCCOc1ccc(-c2cccc(c2)C(O)=O)c(c1)C(O)=O
CCCCCCCCCOc1ccc(-c2cccc(CC(O)=O)c2)c(c1)C(O)=O
COc1ccc2nc(C)cc(Nc3ccccc3OC)c2c1
CCN1CCN(CC1)c1ncc(C(=O)Nc2ccccc2)c(N)n1
COc1ccccc1CN1CCCC(C1)c1[nH]ccc1C(N)=O
CC1(N)CCN(CC1)c1ncc(C(=O)Nc2cccnc2)c(N)n1
CCCN1CCN(CC1)c1ncc(C(=O)Nc2ccccc2)c(N)n1
CC(C)N1CCN(CC1)c1ncc(C(=O)Nc2ccccc2)c(N)n1
CC(=O)N1CCN(CC1)c1ncc(C(=O)Nc2ccccc2)c(N)n1
CCOC(=O)N1CCN(CC1)c1ncc(C(=O)Nc2ccccc2)c(N)n1
CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(C(=O)Nc2ccccc2)c(N)n1
Nc1nc(ncc1C(=O)Nc1ccccc1)N1CCN(CC1)C(=O)c1ccco1
CC(C)NC(=O)CN1CCN(CC1)c1ncc(C(=O)Nc2ccccc2)c(N)n1
Nc1nc(ncc1C(=O)Nc1ccccc1)N1CCN(CC1)c1ccccc1
COc1ccc(cc1)N1CCN(CC1)c1ncc(C(=O)Nc2ccccc2)c(N)n1
Nc1nc(ncc1C(=O)Nc1ccccc1)N1CCN(CC1)c1ccccn1
Nc1nc(ncc1C(=O)Nc1ccccc1)N1CCN(CC1)C1CCCCC1
Nc1nc(ncc1C(=O)Nc1ccccc1)N1CCSCC1
Nc1nc(ncc1C(=O)Nc1ccccc1)N1CCOCC1
Nc1nc(ncc1C(=O)Nc1ccccc1)N1CCC2(CC1)OCCO2
CC1(N)CCN(CC1)c1ncc(C(=O)Nc2ccccc2)c(N)n1
CCOC(=O)C1CCN(CC1)c1ncc(C(=O)Nc2ccccc2)c(N)n1
Nc1nc(ncc1C(=O)Nc1ccccc1)N1CCc2ccccc2C1
Nc1nc(ncc1C(=O)Nc1ccccc1)N1CCCC1
CCCCN(C)c1ncc(C(=O)Nc2ccccc2)c(N)n1
CN(Cc1ccccc1)c1ncc(C(=O)Nc2ccccc2)c(N)n1
CC1(N)CCN(CC1)c1ncc(C(=O)Nc2cccc3ccccc23)c(N)n1
CC1(N)CCN(CC1)c1ncc(C(=O)Nc2ccc3ccccc3c2)c(N)n1
CC1(N)CCN(CC1)c1ncc(C(=O)Nc2cccc(c2)-c2ccccc2)c(N)n1
CC1(N)CCN(CC1)c1ncc(C(=O)Nc2ccc-3c(Cc4ccccc-34)c2)c(N)n1
COc1ccc(NC(=O)c2cnc(nc2N)N2CCC(C)(N)CC2)cc1
COc1ccc(NC(=O)c2cnc(nc2N)N2CCC(C)(N)CC2)cc1OC
COc1cccc(OC)c1NC(=O)c1cnc(nc1N)N1CCC(C)(N)CC1
CC1(N)CCN(CC1)c1ncc(C(=O)Nc2ccc(cc2)[N+]([O-])=O)c(N)n1
CC1(N)CCN(CC1)c1ncc(C(=O)Nc2ccc(F)cc2)c(N)n1
CC1(N)CCN(CC1)c1ncc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(N)n1
CC1(N)CCN(CC1)c1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(N)n1
CC1(N)CCN(CC1)c1ncc(C(=O)NCc2ccccn2)c(N)n1
CC1(N)CCN(CC1)c1ncc(C(=O)Nc2ccccn2)c(N)n1
CN(CCN(C)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)C(N)=N
NC(=N)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
NC(=O)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
NC(=S)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Nc1nc(cnc1-c1cccc(Cl)c1Cl)N1CCN(CC1)S(N)(=O)=O
NC(=N)N1CCN(C(=O)C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1ccccc1)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1ccccn1)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1cccnc1)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1ccncc1)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1ncccn1)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1cnccn1)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1cncnc1)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/C(=O)c1ccncc1)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1ccc(cc1)C#N)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1ccc(nc1)C#N)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1ccc(F)cc1)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1ccc(cc1)C(F)(F)F)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
CNC(=O)c1ccc(cc1)\N=C(/N)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
COc1ccc(cc1)\N=C(/N)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
COc1cccc(c1)\N=C(/N)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
COc1ccccc1\N=C(/N)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
COc1cc(ccc1C#N)\N=C(/N)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1ccsc1)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1cccs1)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1csc(c1)C#N)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
CN\C(=N/c1ccc(cc1)C#N)N1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
N\C(=N/c1ccc(cc1)C#N)N1CCN(CC1)c1cnc(cn1)-c1cccc(Cl)c1Cl
N\C(=N/c1ccc(cc1)C#N)N1CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
c1ccc2c(c1)[C@H](C3(O2)CCN(CC3)c4cnc5c(n4)[nH]nc5N6CCCc7c6cccn7)N
CC1(N)CCN(CC1)c1cnc2c(Sc3ccnc(N)c3Cl)n[nH]c2n1
C[C@@]1(CN)CC[C@@H](CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r,wU:6.5,1.1,(-4.32,5.48,;-3.92,3.99,;-5.41,4.39,;-6.5,3.3,;-3.92,2.45,;-2.59,1.68,;-1.25,2.45,;-1.25,3.99,;-2.59,4.76,;.08,1.68,;.08,.14,;1.41,-.63,;2.75,.14,;4.21,-.33,;5.12,.91,;4.21,2.16,;2.75,1.68,;1.41,2.45,;4.61,-1.82,;6.1,-2.22,;6.5,-3.71,;5.41,-4.79,;3.92,-4.4,;2.83,-5.48,;1.34,-5.09,;.95,-3.6,;2.03,-2.51,;3.52,-2.91,)|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
N[C@@H]1Cc2ccccc2C11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CN1c2ccccc2[C@@H](N)C11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r|
CC1(N)CCN(CC1)c1cnc2n(ncc2n1)-c1cccc(Cl)c1Cl
CC1(N)CCN(CC1)c1cnc2c(Sc3cccc(Cl)c3Cl)cnn2c1
CC1(N)CCN(CC1)c1ccnc2c(Sc3cccc(Cl)c3Cl)cnn12
CC1(N)CCN(CC1)c1cnc2cc(ccc2n1)-c1cccc(Cl)c1Cl
CC1(N)CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)n2nccc12
CC1(CCN(CC1)c2cnc3c(n2)ccc(n3)Sc4cccc(c4Cl)Cl)N
CC1(N)CCN(CC1)c1ccc(Sc2cccc(Cl)c2Cl)n2nccc12
CC1(N)CCN(CC1)c1cnc2nc(ccc2n1)-c1cccc(Cl)c1Cl
CC1(N)CCN(CC1)c1cnc2nc(ccc2n1)-c1cccc(F)c1Cl
CC1(N)CCN(CC1)c1cnc2nc(ccc2n1)-c1cccc2ccccc12
COc1cccc(Sc2ccc3nc(cnc3n2)N2CCC(C)(N)CC2)c1Cl
CC1(N)CCN(CC1)c1cnc2nc(Sc3cccc(C#N)c3Cl)ccc2n1
CC1(N)CCN(CC1)c1cnc2nc(Oc3cccc(Cl)c3Cl)ccc2n1
CC1(N)CCN(CC1)c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1
COc1nccc(Sc2ccc3nc(cnc3n2)N2CCC(C)(N)CC2)c1Cl
CC1(N)CCN(CC1)c1cnc2nc(Sc3cccn4nccc34)ccc2n1
CC1(CN)CCN(CC1)c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1
CNC1(C)CCN(CC1)c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1
N[C@H]1CCCN(CC1)c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1 |r|
[H][C@]12CC[C@@]([H])(CC(N)C1)N2c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1 |r|
[H][C@]12C[C@]([H])(CN(C1)c1cnc3nc(Sc4ccnc(N)c4Cl)ccc3n1)[C@@H]2N |r|
N[C@@H]1C[C@H](O)CC11CCN(CC1)c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1 |r|
C[C@H]1[C@H](C2(CCN(CC2)c3cnc4c(n3)ccc(n4)Sc5ccnc(c5Cl)N)CO1)N
N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1 |r|
N[C@@H]1c2ccc(F)cc2CC11CCN(CC1)c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1 |r|
COc1ccc2CC3(CCN(CC3)c3cnc4nc(Sc5ccnc(N)c5Cl)ccc4n3)[C@H](N)c2c1 |r|
N[C@@H]1c2ccc(Cl)cc2CC11CCN(CC1)c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1 |r|
Cc1ccc2CC3(CCN(CC3)c3cnc4nc(Sc5ccnc(N)c5Cl)ccc4n3)[C@H](N)c2c1 |r|
N[C@@H]1c2cccnc2CC11CCN(CC1)c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1 |r|
Cc1ccc2[C@@H](N)C3(Cc2n1)CCN(CC3)c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1 |r|
N[C@@H]1c2cc(F)cnc2CC11CCN(CC1)c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1 |r|
COc1cnc2CC3(CCN(CC3)c3cnc4nc(Sc5ccnc(N)c5Cl)ccc4n3)[C@H](N)c2c1 |r|
OP(O)(=O)C(F)(F)c1ccccc1
O=P(O)(O)C(F)(F)c1cc(Br)c2cn[nH]c2c1
O=P(O)(O)C(F)(F)c1ccc2occc2c1
O=P(O)(O)C(F)(F)c1ccc2sccc2c1
O=P(O)(O)C(F)(F)c1cc(Cl)c2ncccc2c1
O=P(O)(O)C(F)(F)c1ccc2sc3ccc(Br)cc3c2c1
O=P(O)(O)C(F)(F)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2
O=P(O)(O)C(F)(F)c1cccc2oc3ccccc3c12
C=C(c1ccccc1)c1ccc(C(F)(F)P(=O)(O)O)c2c1oc1ccccc12
c1c(nc(c(n1)N)Cl)Cl
Clc1ccc(-c2cc[nH]n2)cc1
CNC(=O)c1cc2nccc(N)c2[nH]1
Nc1ccnc2cc(C(=O)Nc3ccccc3)[nH]c12
Nc1ccnc2cc(C(=O)Nc3cccnc3)[nH]c12
N[C@H]1CCCN(CCS(=O)(=O)Nc2cccc3cc[nH]c23)C1
Cn1ccc2cccc(NS(=O)(=O)CCN3CCC[C@H](N)C3)c21
Cn1cc(Cl)c2cccc(NS(=O)(=O)CCN3CCC[C@H](N)C3)c21
Cn1cc(Cl)c2cccc(NS(=O)(=O)c3cnn(CCN)c3)c21
Cn1cc(c2c1c(ccc2)NS(=O)(=O)N3Cc4ccc(cc4C3)CN)Cl
NCCCc1cnc2c(-c3cccc(Cl)c3Cl)c[nH]c2c1
Clc1cccc(-c2c[nH]c3cc(CN4CCNCC4)cnc23)c1Cl
Cc1nc2c(-c3cccc(Cl)c3Cl)c[nH]c2cc1CN1CCNCC1
Cc1nc2c(-c3ccc(C#CCO)c(Cl)c3Cl)c[nH]c2cc1CN1CCNCC1
Cc1nc2c(-c3ccc4nn(Cc5cn[nH]c5)cc4c3Cl)c[nH]c2cc1CN1CCNCC1
Cc1nc2c(-c3ccc4nn(C)cc4c3Cl)c[nH]c2cc1CN1CCNCC1
Cc1nc2c(-c3ccc4c(cnn4C)c3Cl)c[nH]c2cc1CN1CCNCC1
CCn1cc2c(Cl)c(-c3c[nH]c4cc(CN5CCNCC5)c(C)nc34)ccc2n1
CC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)c[nH]c3c2)CC1
N[C@@H]1C[C@H]2CC[C@@H](C1)N2c1cnc2c(-c3cccc(Cl)c3Cl)c[nH]c2c1
N[C@@H]1C[C@H]2CC[C@@H](C1)N2c1cnc2c(-c3cccc(Cl)c3Cl)c[nH]c2n1
CC1(N)CCN(C(=O)c2ccc(Sc3ccccc3Cl)o2)CC1
CC1(N)CCN(C(=O)c2ccc(Sc3cccc(Cl)c3)o2)CC1
CC1(N)CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)CC1
CC1(N)CCN(C(=O)c2ccc(Sc3ccccc3F)o2)CC1
CC1(N)CCN(C(=O)c2ccc(Sc3ccccc3C(F)(F)F)o2)CC1
Cc1ccccc1Sc1ccc(C(=O)N2CCC(C)(N)CC2)o1
Cc1cccc(Sc2ccc(C(=O)N3CCC(C)(N)CC3)o2)c1
COc1ccccc1Sc1ccc(C(=O)N2CCC(C)(N)CC2)o1
COc1cccc(Sc2ccc(C(=O)N3CCC(C)(N)CC3)o2)c1
CC1(N)CCN(C(=O)c2ccc(Sc3cccc(Cl)c3Cl)o2)CC1
CC1(N)CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3Cl)o2)CC1
Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c(CO)nc1Sc1ccnc(N)c1Cl
CC(=O)N1CC(F)(F)c2c(Sc3ncc(N4CCC5(CC4)COC[C@H]5N)nc3N)cccc21
c1ccc2c(c1)CC3([C@@H]2N)CCN(CC3)c4ncc(nn4)Sc5ccnc(c5Cl)N
NCC1(Cc2ccccc2)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1
NCC1(Cc2cccs2)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1
Nc1nc(N2CCC3(CC2)c2ccccc2CC[C@H]3N)cnc1Sc1ccnc(N)c1Cl
Nc1nc(N2CCC3(CCc4ccccc4[C@H]3N)CC2)cnc1Sc1ccnc(N)c1Cl
CS(=O)(=O)c1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)C2
NC(=O)c1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)C2
CP(C)(=O)c1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)C2
Nc1nc(N2CCC3(CC2)Cc2ccc(OC4CCOCC4)cc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl
N#Cc1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)C2
NC(=O)c1cccc2c1CC1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)[C@@H]2N
CP(C)(=O)c1cccc2c1CC1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)[C@@H]2N
Nc1nc(N2CCC3(CC2)Cc2ccc(C(F)(F)F)cc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl
Nc1nc(N2CCC3(CC2)Cc2sccc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl
Nc1nc(N2CCC3(CC2)Cc2scnc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl
Nc1nc(N2CCC3(CC2)Cc2ncsc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl
Nc1nc(N2CCC3(CC2)Cc2cccnc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl
c1cc2c(nc1)CC3([C@@H]2N)CCN(CC3)c4cnc(c(n4)N)Sc5ccnc(c5Cl)N
Nc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)cnc1Sc1ccncc1Cl
CNc1nccc(Sc2ncc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)nc2N)c1Cl
CN(C)c1nccc(Sc2ncc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)nc2N)c1Cl
Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)cn2)c1Cl
Nc1nc(N2CCN(C(=O)C3(N)CCCC3)CC2)cnc1Sc1ccnc(N)c1Cl
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)C4CCCCC4)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ccccc4)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ccccn4)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ccco4)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cccs4)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4nccs4)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cccc5ccccc45)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ncccn4)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cnccn4)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)Cc4ccccc4)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)/C=C/c4ccccc4)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3ccc(NC(=O)c4ccccc4)cc3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(N)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ncccc4O)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ncccc4F)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ncccc4Cl)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ncccc4Br)c3Cl)cn2)CC1
Cc1cccnc1C(=O)Nc1cccc(Sc2cnc(N3CCC(C)(N)CC3)cn2)c1Cl
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ncccc4C(F)(F)F)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cnccc4O)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cccnc4O)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cnccc4Cl)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ccncc4Cl)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cccnc4Cl)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cc(Cl)ccn4)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ccc(Cl)cn4)c3Cl)cn2)CC1
CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cccc(Cl)n4)c3Cl)cn2)CC1
C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(NC(=O)c5ncccc5O)c4Cl)cn3)CC2)[C@@H]1N
N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3cccc(NC(=O)c4ncccc4O)c3Cl)cn1)CC2
C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(NC(=O)c5ncccc5Cl)c4Cl)cn3)CC2)[C@@H]1N
N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3cccc(NC(=O)c4ncccc4Cl)c3Cl)cn1)CC2
C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(NC(=O)c5cnccc5O)c4Cl)cn3)CC2)[C@@H]1N
N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3cccc(NC(=O)c4cnccc4O)c3Cl)cn1)CC2
C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(NC(=O)c5cccnc5O)c4Cl)cn3)CC2)[C@@H]1N
N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3cccc(NC(=O)c4cccnc4O)c3Cl)cn1)CC2
CC1(N)CCN(c2nnc(-c3cccc(Cl)c3Cl)s2)CC1
CC1(N)CCN(c2nnc(-c3ccc4ccccc4c3)s2)CC1
CC1(N)CCN(c2nnc(-c3cccc4ccccc34)s2)CC1
COc1ccc2cc(-c3nnc(N4CCC(C)(N)CC4)s3)ccc2c1
CC1(N)CCN(c2nnc(Sc3cccc(Cl)c3Cl)s2)CC1
CC1(N)CCN(c2nnc(Sc3ccc(Cl)cc3Cl)s2)CC1
CC1(N)CCN(c2nnc(Sc3ccc(Cl)c(Cl)c3)s2)CC1
CC1(N)CCN(c2nnc(Sc3ccccc3Cl)s2)CC1
CC1(N)CCN(c2nnc(Sc3ccccc3F)s2)CC1
CC1(N)CCN(c2nnc(Sc3cccc4cccnc34)s2)CC1
CC1(N)CCN(c2nnc(Sc3ccc4ccccc4c3)s2)CC1
CC1(CN)CCN(c2nnc(Sc3cccc(Cl)c3Cl)s2)CC1
NCC1CCN(c2nnc(Sc3cccc(Cl)c3Cl)s2)CC1
NC1CCN(c2nnc(Sc3cccc(Cl)c3Cl)s2)CC1
C[C@@H]1OCC2(CCN(c3nnc(Sc4cccc(Cl)c4Cl)s3)CC2)[C@@H]1N
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NCN3CCNCC3)nc2n1
NC1CCN(c2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)C1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NC3CCCNC3)nc2n1
NC1CCCC(Nc2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)C1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NCCC3CCCCN3)nc2n1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NC3CCNCC3)nc2n1
NC1(CO)CCN(c2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)C1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NCC3NCCc4ccccc43)nc2n1
NCC1CCN(c2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)C1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CC4CCNCC4C3)nc2n1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CC4CCNC4C3)nc2n1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NCC3CCCNC3)nc2n1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NCC3CCNC3)nc2n1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CCC4(CNC4)C3)nc2n1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CC4(CNCCO4)C3)nc2n1
NC12CC(CNc3nc4nc(Sc5cccnc5C(F)(F)F)cnc4[nH]3)(C1)C2
NC1CC2CC(C1)N(c1nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]1)C2
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NC3CCNC4(CCC4)C3)nc2n1
NC[C@]12CN(c3nc4nc(Sc5cccnc5C(F)(F)F)cnc4[nH]3)C[C@H]1CS(=O)(=O)C2
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CCCC4(CNCCO4)C3)nc2n1
COC1(CCN)CN(c2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)C1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CCC4NCCCC4C3)nc2n1
NCC1CCCC12CCN(c1nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]1)CC2
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CC45CCCC4(CNC5)C3)nc2n1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CCCC(C4CNC4)C3)nc2n1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CCC4CCC(C3)N4)nc2n1
CC1(C)C2CNCC1CN(c1nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]1)C2
COc1ccc(N2CCC3(CCN(c4nc5nc(Sc6cccnc6C(F)(F)F)cnc5[nH]4)C3)C2)cc1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NCC3CNC(c4ccccc4)C3)nc2n1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NC[C@H]3CN[C@@H](c4ccccc4)C3)nc2n1
FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NC[C@@H]3CN[C@@H](c4ccccc4)C3)nc2n1
CN(CC1CNC(c2ccccc2)C1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1