997 SMILES Strings for 3-phosphoinositide-dependent protein kinase 1

Compound Name
SMILES String
COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1|
NC(=O)Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(O)=O)c2c1
Cc1c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)[nH]cc1C(O)=O
Cc1c(CCC(O)=O)c[nH]c1\C=C1/C(=O)Nc2ccc(NC(N)=O)cc12
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c(C)c1CCC(O)=O
CN(C)CCNC(=O)c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(=O)NCCN3CCCCC3)c2c1
NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(=O)NCCN3CCOCC3)c2c1
CN(C)[C@H]1CCN(C1)C(=O)c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1 |r|
NC(=O)Nc1ccc2NC(=O)C(=Cc3cc(c[nH]3)C(=O)NCCc3cnc[nH]3)c2c1 |w:12.12|
NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(=O)NCCc3ccncc3)c2c1
NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3ccccc3)c2c1
NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccnc3)c2c1
NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(c3)C(O)=O)c2c1
CN(C)CCNC(=O)c1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(c3)C(=O)NCCN3CCCCC3)c2c1
NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(O)c3)c2c1
COc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(F)c3)c2c1
Cc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(c3)C(N)=O)c2c1
CC(=O)Nc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
NCc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1ccc[nH]1
C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CN)c[nH]1
CC(=O)NCc1c[nH]c(c1)C(\C)=C1/C(=O)Nc2ccc(NC(N)=O)cc12
C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)c2ccncc2)c[nH]1
C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)c2cccnc2)c[nH]1
C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)C2CCNCC2)c[nH]1
CN1CCC(CC1)C(=O)NCc1c[nH]c(c1)C(\C)=C1/C(=O)Nc2ccc(NC(N)=O)cc12
C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)C2CNCCN2)c[nH]1
C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CN)c[nH]1
C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CO)c[nH]1
C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CCN2CCCCC2)c[nH]1
O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Cc1cccc2NC(=O)\C(=C/c3ccc[nH]3)c12
Cc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Cc1cccc2\C(=C\c3ccc[nH]3)C(=O)Nc12
Oc1cccc2NC(=O)\C(=C/c3ccc[nH]3)c12
Oc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Oc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Oc1cccc2\C(=C\c3ccc[nH]3)C(=O)Nc12
C\C(=C1\C(=O)Nc2ccc(O)cc12)c1ccc[nH]1
Cc1cc[nH]c1\C=C1/C(=O)Nc2ccc(O)cc12
Cc1c[nH]c(\C=C2/C(=O)Nc3ccc(O)cc23)c1
Cc1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
CCc1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
COc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
COC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
OC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
O=C1Nc2ccc(cc2C1=Cc1ccc[nH]1)-c1nnn[nH]1 |w:10.12|
Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)C#N
NCc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
CS(=O)(=O)Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
CC(=O)Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
C\C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)c1ccc[nH]1
CC\C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)c1ccc[nH]1
NS(=O)(=O)c1ccc2NC(=O)\C(=C(/c3ccc[nH]3)c3ccccc3)c2c1
CCOC(=O)C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)\c1ccc[nH]1
NS(=O)(=O)c1ccc2NC(=O)\C(=C(\C(O)=O)c3ccc[nH]3)c2c1
NC(=O)C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)\c1ccc[nH]1
CCNC(=O)C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)\c1ccc[nH]1
CCN(CC)C(=O)C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)\c1ccc[nH]1
CC\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1ccc[nH]1
NC(=O)Nc1ccc2NC(=O)\C(=C(/c3ccc[nH]3)c3cccc(N)c3)c2c1
NC(=O)Nc1ccc2NC(=O)\C(=C(/c3ccc[nH]3)c3ccncc3)c2c1
c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4cccs4)I
Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc1cnc[nH]1
CC(C)(C(=O)N)C(=O)NCCCNc1c(cnc(n1)Nc2cccc(c2)NC(=O)N3CCCC3)Br
Cc1c(ccc2c1nc(c3c2c4cc(c(cc4nc3)OC)OC)N)N
COc1cc2ncc3cnc4ccccc4c3c2cc1OC
COc1cc2ncc3c(N)nc4cc(N)ccc4c3c2cc1OC
COc1cc2ncc3c(N)nc4c(C)cccc4c3c2cc1OC
COc1cc2ncc3c(N)nc4c(C)c(O)ccc4c3c2cc1OC
COc1cc2ncc3c(N)nc4c(C)c(Cl)ccc4c3c2cc1OC
CCOc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OCC
COc1cc2c(cc1F)ncc1c(N)nc3c(C)c(N)ccc3c21
COc1cc2c(cc1NCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c21
COc1cc2c(cc1NCCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c21
COc1cc2c(cc1NCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
COc1cc2c(cc1NCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
COc1cc2c(cc1OCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c21
COc1cc2c(cc1OCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
COc1cc2c(cc1OCCC(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
Brc1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
Brc1cccc2C(C(=O)Nc12)c1[nH]c2ccccc2c1N=O
CNC(=O)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)C(=O)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
CC(Nc1nc2c(c[nH]c(=O)c2c2cc(ccc12)-c1cn[nH]c1)C#CC1CC1)C(C)(C)C
COc1ccc(cc1)C#Cc1ccc2ncc3ncn(-c4ccc(CCN)cc4)c3c2c1
Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21
Cc1[nH]nc(-c2nc3cc4c[nH][nH]c4cc3n2)c1C(=O)NC1CCNCC1
c1ccc(cc1)[C@H](COc2ccc3c(c2)NC(=O)N3)NC(=O)C4=CC=CN(C4=O)Cc5ccc(c(c5)F)F
Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Br)cc21
CCNC(=O)O[C@@H]1CC[C@@H]2[C@H](C[C@H]1N2Cc1ccccc1)C(=O)Nc1ccc(cc1)N(C)C |r,THB:14:13:10.11:6.8.7|
CCCCCNC(=O)O[C@@H]1CC[C@@H]2[C@H](C[C@H]1N2CCC(C)C)C(=O)Nc1ccc(cc1)N(C)C |r,THB:17:16:13.14:9.11.10|
FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1
CC1CN(CCO1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)C3CC3(F)F)cc12
O=C(Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1)C1CC1
FC1(F)CCC(CC1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1
CC1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)C3CC3(F)F)cc12
FC1(F)CCC(CC1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)C1CC1
FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2c1
FC1(F)CC1C(=O)Nc1cccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c12
Brc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
O=C(NC1CC1)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Fc1cccc(c1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
CS(=O)(=O)c1cccc(c1)-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
FC(F)(F)c1cccc(c1)-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
CC(C)([N+]#[C-])c1ccc(cc1)-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Fc1ccc(NC(=O)Nc2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c(F)c1
CN1CCC(C)(CC1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
O=C(NC1CCCC1)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)C1CCN(CC1)c1ccncc1
FC1(F)CC1C(=O)Nc1ccc2c(n[nH]c2c1)-c1nc2ccc(cc2[nH]1)N1CCOCC1
OC(=O)CSC(CC(=O)c1ccc(Cl)cc1)c1ccccc1Sc1ccc(Cl)cc1
c1ccc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl
OC(=O)C(C(CC(=O)c1ccc(Cl)cc1)c1ccccc1)C(O)=O
c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)C(F)(F)F)C(C(=O)O)C(=O)O
CN(C)CCCOc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
COc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c(C)c12
Oc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Nc1ncnc2cc(Cl)c(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CNc1ncnc2ccc(cc12)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
CCOc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
OCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCCNc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)c(C)c2n1
CN(C)CCN(C)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCNc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCCN(C)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CNc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CCC(C1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCCOc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCSc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CCCC(C1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(NC5CCN(CC5)C5CC5)nc4c3)c2=O)cc1F
CN1CCN(CC1)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CC(C)(C)CNc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(NC5CCCCC5)nc4c3)c2=O)cc1F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(NC5CCNCC5)nc4c3)c2=O)cc1F
CN(C1CCN(C)CC1)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(NC5CC(C5)N5CCCC5)nc4c3)c2=O)cc1F |(8.67,-.76,;7.34,.01,;7.34,1.55,;6,2.32,;4.67,1.55,;3.33,2.32,;3.33,3.86,;4.67,4.63,;4.67,6.17,;3.33,6.94,;2,6.17,;.67,6.94,;.67,8.48,;-.67,6.17,;-.67,4.63,;-2,3.86,;-3.33,3.09,;-4.67,2.32,;-6,3.09,;-7.34,2.32,;-7.34,.78,;-8.67,.01,;-8.67,-1.53,;-7.34,-2.3,;-7.34,-3.84,;-6,-4.61,;-5.6,-6.1,;-4.12,-5.7,;-4.51,-4.21,;-2.78,-6.47,;-2.78,-8.01,;-1.32,-8.48,;-.41,-7.24,;-1.32,-5.99,;-6,-1.53,;-6,.01,;-4.67,.78,;2,4.63,;.67,3.86,;4.67,.01,;6,-.76,;6,-2.3,)|
C[C@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(NC4CCN(C)CC4)nc3c2)c1=O |r|
CN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn([C@H](CO)c2ccccc2)c1=O |r|
N[C@H]1CC[C@H](CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r,wU:4.7,1.0,(-2,-7.7,;-3.33,-6.93,;-4.67,-7.7,;-6,-6.93,;-6,-5.39,;-4.67,-4.62,;-3.33,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;-.67,5.39,;.67,6.16,;.67,7.7,;2,5.39,;3.33,6.16,;4.67,5.39,;4.67,3.85,;3.33,3.08,;3.33,1.54,;4.67,.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;6,-1.54,;6,-3.08,;4.67,-.77,;2,3.85,;.67,3.08,)|
N[C@H]1CC[C@@H](CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r,wU:1.0,wD:4.7,(-2,-7.7,;-3.33,-6.93,;-4.67,-7.7,;-6,-6.93,;-6,-5.39,;-4.67,-4.62,;-3.33,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;-.67,5.39,;.67,6.16,;.67,7.7,;2,5.39,;3.33,6.16,;4.67,5.39,;4.67,3.85,;3.33,3.08,;3.33,1.54,;4.67,.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;6,-1.54,;6,-3.08,;4.67,-.77,;2,3.85,;.67,3.08,)|
CC(C)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CCN(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
COCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CCC(CC1)Oc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
O[C@H]1CC[C@@H](CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r,wU:1.0,wD:4.7,(-2,-7.7,;-3.33,-6.93,;-4.67,-7.7,;-6,-6.93,;-6,-5.39,;-4.67,-4.62,;-3.33,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;-.67,5.39,;.67,6.16,;.67,7.7,;2,5.39,;3.33,6.16,;4.67,5.39,;4.67,3.85,;3.33,3.08,;3.33,1.54,;4.67,.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;6,-1.54,;6,-3.08,;4.67,-.77,;2,3.85,;.67,3.08,)|
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(N[C@H]5CC[C@@H](CC5)N5CCOCC5)nc4c3)c2=O)cc1F |r,wU:25.24,wD:28.31,(8.67,-.39,;7.34,.38,;7.34,1.92,;6,2.69,;4.67,1.92,;3.33,2.69,;3.33,4.23,;4.67,5,;4.67,6.54,;3.33,7.31,;2,6.54,;.67,7.31,;.67,8.85,;-.67,6.54,;-.67,5,;-2,4.23,;-3.33,3.46,;-4.67,2.69,;-6,3.46,;-7.34,2.69,;-7.34,1.15,;-8.67,.38,;-8.67,-1.16,;-7.34,-1.93,;-7.34,-3.47,;-6,-4.24,;-4.67,-3.47,;-3.33,-4.24,;-3.33,-5.78,;-4.67,-6.55,;-6,-5.78,;-2,-6.55,;-2,-8.09,;-.67,-8.85,;.67,-8.09,;.67,-6.55,;-.67,-5.78,;-6,-1.16,;-6,.38,;-4.67,1.15,;2,5,;.67,4.23,;4.67,.38,;6,-.39,;6,-1.93,)|
CN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn([C@@H](CO)c2ccc(F)c(F)c2)c1=O |r|
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(N[C@H]5CC[C@@H](CC5)N5CCN(CC6CC6)CC5)nc4c3)c2=O)cc1F |r,wU:25.24,wD:28.31,(8.67,-.38,;7.34,.38,;7.34,1.93,;6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;4.67,5,;4.67,6.54,;3.33,7.31,;2,6.54,;.67,7.31,;.67,8.85,;-.67,6.54,;-.67,5,;-2,4.23,;-3.33,3.47,;-4.67,2.69,;-6,3.47,;-7.34,2.69,;-7.34,1.15,;-8.67,.38,;-8.67,-1.15,;-7.34,-1.93,;-7.34,-3.47,;-6,-4.23,;-4.67,-3.47,;-3.33,-4.23,;-3.33,-5.78,;-4.67,-6.54,;-6,-5.78,;-2,-6.54,;-2,-8.08,;-.67,-8.85,;.67,-8.08,;2,-8.85,;3.33,-8.08,;4.87,-8.08,;4.1,-6.75,;.67,-6.54,;-.67,-5.78,;-6,-1.15,;-6,.38,;-4.67,1.15,;2,5,;.67,4.23,;4.67,.38,;6,-.38,;6,-1.93,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r,wU:3.2,wD:6.9,(-2,-8.47,;-2,-6.93,;-.67,-6.16,;-3.33,-6.16,;-4.67,-6.93,;-6,-6.16,;-6,-4.62,;-4.67,-3.85,;-3.33,-4.62,;-7.34,-3.85,;-7.34,-2.31,;-8.67,-1.54,;-8.67,,;-7.34,.77,;-7.34,2.31,;-6,3.08,;-4.67,2.31,;-4.67,.77,;-6,,;-6,-1.54,;-3.33,3.08,;-2,3.85,;-.67,4.62,;-.67,6.16,;.67,6.93,;.67,8.47,;2,6.16,;3.33,6.93,;4.67,6.16,;4.67,4.62,;3.33,3.85,;3.33,2.31,;4.67,1.54,;6,2.31,;7.34,1.54,;7.34,,;8.67,-.77,;6,-.77,;6,-2.31,;4.67,,;2,4.62,;.67,3.85,)|
NC1CCC(C1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CCN1CC[C@@H](Nc2cnc3ccc(cc3n2)C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)[C@@H](F)C1 |r|
CCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CCN1CC[C@H](Nc2cnc3ccc(cc3n2)C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)[C@H](F)C1 |r|
COCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn([C@@H](CO)c2ccc(F)c(F)c2)c1=O |r|
COCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn([C@@H](CO)c2ccc(F)c(F)c2)c1=O |r|
CCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
COCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
COCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1ccnn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2nccc(C(=O)NCC#Cc3ccc4ncc(NC5CCN(CC5)C5COC5)nc4c3)c2=O)cc1F
COCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn([C@H](CO)c2cccc(F)c2)c1=O |r|
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(NC5CCN(CC5)C5COC5)nc4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4ncc(NC5CCN(CC5)C5COC5)nc4c3)c2=O)cc1F
C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(NC4CCN(CC4)C4COC4)nc3c2)c1=O |r|
OC[C@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc(N[C@H]4CC[C@@H](CC4)N4CCOCC4)nc3c2)c1=O |r,wU:2.9,28.28,wD:31.35,(2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;7.34,1.54,;4.67,3.08,;6,3.85,;6,5.39,;4.67,6.16,;3.33,5.39,;2,6.16,;2,7.7,;.67,5.39,;-.67,6.16,;-2,5.39,;-3.33,4.62,;-4.67,3.85,;-6,4.62,;-7.34,3.85,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,-.77,;-7.34,-2.31,;-6,-3.08,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-5.39,;-6,-4.62,;-2,-5.39,;-2,-6.93,;-.67,-7.7,;.67,-6.93,;.67,-5.39,;-.67,-4.62,;-6,,;-6,1.54,;-4.67,2.31,;3.33,3.85,;2,3.08,)|
Fc1ccc(Cn2nccc(C(=O)NCC#Cc3ccc4ncc(N[C@H]5CC[C@@H](CC5)N5CCOCC5)nc4c3)c2=O)cc1F |r,wU:25.24,wD:28.31,(9.34,-1.54,;8,-.77,;8,.77,;6.67,1.54,;5.33,.77,;4,1.54,;4,3.08,;5.33,3.85,;5.33,5.39,;4,6.16,;2.67,5.39,;1.33,6.16,;1.33,7.7,;,5.39,;-1.33,6.16,;-2.67,5.39,;-4,4.62,;-5.33,3.85,;-6.67,4.62,;-8,3.85,;-8,2.31,;-9.34,1.54,;-9.34,,;-8,-.77,;-8,-2.31,;-6.67,-3.08,;-5.33,-2.31,;-4,-3.08,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-2.67,-5.39,;-2.67,-6.93,;-1.33,-7.7,;,-6.93,;,-5.39,;-1.33,-4.62,;-6.67,,;-6.67,1.54,;-5.33,2.31,;2.67,3.85,;1.33,3.08,;5.33,-.77,;6.67,-1.54,;6.67,-3.08,)|
OC[C@H](c1cccc(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(N[C@H]4CC[C@@H](CC4)N4CCN(CC5CC5)CC4)nc3c2)c1=O |r,wU:2.10,29.29,wD:32.36,(2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;8.67,-.77,;7.34,-1.54,;7.34,-3.08,;6,-.77,;4.67,3.08,;6,3.85,;6,5.39,;4.67,6.16,;3.33,5.39,;2,6.16,;2,7.7,;.67,5.39,;-.67,6.16,;-2,5.39,;-3.33,4.62,;-4.67,3.85,;-6,4.62,;-7.34,3.85,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,-.77,;-7.34,-2.31,;-6,-3.08,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-5.39,;-6,-4.62,;-2,-5.39,;-2,-6.93,;-.67,-7.7,;.67,-6.93,;2,-7.7,;3.33,-6.93,;4.87,-6.93,;4.1,-5.6,;.67,-5.39,;-.67,-4.62,;-6,,;-6,1.54,;-4.67,2.31,;3.33,3.85,;2,3.08,)|
Fc1ccc(Cn2nccc(C(=O)NCC#Cc3ccc4ncc(N[C@H]5CC[C@@H](CC5)N5CCN(CC6CC6)CC5)nc4c3)c2=O)cc1F |r,wU:25.24,wD:28.31,(9.34,-1.54,;8,-.77,;8,.77,;6.67,1.54,;5.33,.77,;4,1.54,;4,3.08,;5.33,3.85,;5.33,5.39,;4,6.16,;2.67,5.39,;1.33,6.16,;1.33,7.7,;,5.39,;-1.33,6.16,;-2.67,5.39,;-4,4.62,;-5.33,3.85,;-6.67,4.62,;-8,3.85,;-8,2.31,;-9.34,1.54,;-9.34,,;-8,-.77,;-8,-2.31,;-6.67,-3.08,;-5.33,-2.31,;-4,-3.08,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-2.67,-5.39,;-2.67,-6.93,;-1.33,-7.7,;,-6.93,;1.33,-7.7,;2.67,-6.93,;4.21,-6.93,;3.44,-5.6,;,-5.39,;-1.33,-4.62,;-6.67,,;-6.67,1.54,;-5.33,2.31,;2.67,3.85,;1.33,3.08,;5.33,-.77,;6.67,-1.54,;6.67,-3.08,)|
OC[C@H](c1cccc(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(NC4CCN(CC4)C4COC4)nc3c2)c1=O |r|
OC[C@H](c1cccc(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(N[C@H]4CC[C@@H](CC4)N4CCOCC4)nc3c2)c1=O |r,wU:2.10,29.29,wD:32.36,(2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;8.67,-.77,;7.34,-1.54,;7.34,-3.08,;6,-.77,;4.67,3.08,;6,3.85,;6,5.39,;4.67,6.16,;3.33,5.39,;2,6.16,;2,7.7,;.67,5.39,;-.67,6.16,;-2,5.39,;-3.33,4.62,;-4.67,3.85,;-6,4.62,;-7.34,3.85,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,-.77,;-7.34,-2.31,;-6,-3.08,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-5.39,;-6,-4.62,;-2,-5.39,;-2,-6.93,;-.67,-7.7,;.67,-6.93,;.67,-5.39,;-.67,-4.62,;-6,,;-6,1.54,;-4.67,2.31,;3.33,3.85,;2,3.08,)|
OC[C@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc(N[C@H]4CC[C@@H](CC4)N4CCN(CC5CC5)CC4)nc3c2)c1=O |r,wU:2.9,28.28,wD:31.35,(2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;7.34,1.54,;4.67,3.08,;6,3.85,;6,5.39,;4.67,6.16,;3.33,5.39,;2,6.16,;2,7.7,;.67,5.39,;-.67,6.16,;-2,5.39,;-3.33,4.62,;-4.67,3.85,;-6,4.62,;-7.34,3.85,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,-.77,;-7.34,-2.31,;-6,-3.08,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-5.39,;-6,-4.62,;-2,-5.39,;-2,-6.93,;-.67,-7.7,;.67,-6.93,;2,-7.7,;3.33,-6.93,;4.87,-6.93,;4.1,-5.6,;.67,-5.39,;-.67,-4.62,;-6,,;-6,1.54,;-4.67,2.31,;3.33,3.85,;2,3.08,)|
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(CC5CCNCC5)nc4c3)c2=O)cc1F
CN1CCC(Cc2cnc3ccc(cc3n2)C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)CC1
[#6]\[#6](-[#6])=[#6]\c1cnc2ccc(cc2n1)C#C[#6]-[#7]-[#6](=O)-c1cncn(-[#6]-c2ccc(F)c(F)c2)c1=O
CN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
COCCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
COCCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
CCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn([C@H](CO)c2cccc(F)c2)c1=O |r|
COCCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn([C@@H](CO)c2ccc(F)c(F)c2)c1=O |r|
COCCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
Cc1c(ccc2ncc(cc12)-c1ccccc1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncccc4c3)c2=O)cc1F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(cc4c3)-c3ccccc3)c2=O)cc1F
COC(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)c(C)c2c1
Cc1c(ccc2ncc(cc12)C(O)=O)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CNC(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)c(C)c2c1
Oc1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(OC5CCNCC5)cc4c3)c2=O)cc1F
CN(C)CCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCCN(C)c1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)c1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
COc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
COc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CC(C)Oc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CC(C)Oc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CCN(CCCOc2ccnc3ccc(cc23)C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)CC1
CN1CCCC(COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)C1
CN(C)CC(C)(C)COc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CC(C)(C)COc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CC(O)COc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CC(O)COc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CN1CCC(C1)Oc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CCC(C1)Oc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(OCC5CCCCO5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4nccc(OCC5CCCCO5)c4c3)c2=O)cc1F
COC(C)CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CN1CCC(CC1)Oc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CCC(CC1)Oc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(OC5CCNCC5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4nccc(OC5CCNCC5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(NC5CC5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4nccc(NC5CC5)c4c3)c2=O)cc1F
CN(C)CCNc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCNc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCCNc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCCNc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(OCC5CCCO5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(OCC5CCNC5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(OCC5CCCNC5)c4c3)c2=O)cc1F
CC(c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OCCCN(C)C)c3c2)c1=O
CN(C)CCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(C(CO)c2ccc(F)c(F)c2)c1=O
CC(c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCN(C)C4)c3c2)c1=O |r|
CN(C)CCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
CN(C)CCCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
OCC(c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OCC4CCOC4)c3c2)c1=O
CN(C)CCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1ccnn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(OCC5CCOCC5)c4c3)c2=O)cc1F
CC(N)CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4nccc(OCC5CCCOC5)c4c3)c2=O)cc1F
CN1CC[C@H](COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3cc(F)c(F)c(F)c3)c2=O)C1 |r|
CC(c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@H]4CCN(C)C4)c3c2)c1=O |r|
CC(c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@H]4CCN(C)C4)c3c2)c1=O |r|
CN1CC[C@@H](COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3cc(F)c(F)c(F)c3)c2=O)C1 |r|
CCN(CC)CCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CC(C)(C)COc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(C(CO)c2ccc(F)c(F)c2)c1=O
CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(C(CO)c2ccc(F)c(F)c2)c1=O
OCC(c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OCC4CCOCC4)c3c2)c1=O
CN1CCC[C@@H](COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3cc(F)c(F)c(F)c3)c2=O)C1 |r|
CC(c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCCN(C)C4)c3c2)c1=O |r|
Fc1cc(Cn2cccc(C(=O)NCC#Cc3ccc4nccc(OC[C@@H]5CCCN(CCN6CCOCC6)C5)c4c3)c2=O)cc(F)c1F |r|
C[C@@H](c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCCN(CCN5CCOCC5)C4)c3c2)c1=O |r|
CN1CCC[C@@H](COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(C(CO)c3cc(F)c(F)c(F)c3)c2=O)C1 |r|
CC(C)N1CCC[C@@H](COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)C1 |r|
Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4nccc(OC[C@@H]5CCCNC5)c4c3)c2=O)cc1F |r|
CCNc1c(cnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)[N+]([O-])=O
CNc1c(cnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)[N+]([O-])=O
CC(C)Nc1c(cnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)[N+]([O-])=O
CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CC(C1)Nc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(CCc1ccccc1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(Cc1ccccc1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NCCc5ccco5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NCCc5ccccn5)c4c3)c2=O)cc1F
COc1ccc(CCNc2ncnc3ccc(cc23)C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)cc1OC
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(N5CCNCC5)c4c3)c2=O)cc1F
CN(C)CCNc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NCCCn5ccnc5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NCCc5cccs5)c4c3)c2=O)cc1F
OC(CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)c1ccccc1
COCCCNc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CC(CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)c1ccccc1
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NCC(=O)c5ccccc5)c4c3)c2=O)cc1F
NC(=O)[C@@H](Cc1ccccc1)Nc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r|
COc1ccc(CCNc2ncnc3ccc(cc23)C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)cc1
CN(c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)C(C)(C)C
CN(C1CC1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NC5CCOCC5)c4c3)c2=O)cc1F
CN(C1CCCCC1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NC5CCN(Cc6ccccc6)CC5)c4c3)c2=O)cc1F
OCCN1CCC(CC1)Nc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CC1CN(C)CCC1Nc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccsc2)c1=O
Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4ncnc(N5CCCC5)c4c3)c2=O)cc1F
CNCCCN(C)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CN1CCCN(CC1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CC(=O)N[C@@H]1CCN(C1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O |r|
O[C@H]1CCN(C1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O |r|
CC(C)(CO)CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
NC(=O)CCNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CN(CCCO)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
NC(=O)CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CC1(CNc2ncnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)COC1
OCC(O)CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CN1CCC(CNc2ncnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)C1
CN1CCCC1CCNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CN(C)C1CCN(CC1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CC1(O)CCN(CC1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CN(C)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccn[nH]2)c1=O
CCN(CC)c1ncnc2ccc(cc12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O
CN(Cc1cnn(c1)-c1ccc(F)cc1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
COc1cccc(CN(C)c2ncnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)c1
CN(Cc1cccc2ncccc12)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CCN1CCC(CN(C)c2ncnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)C1
CN(c1ccccc1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CCN(CC)c1ncnc2ccc(cc12)C#CCNC(=O)c1c(C)n(CCO)n(Cc2ccc(F)c(F)c2)c1=O
CN(C)C(=O)CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccoc2)c1=O
COc1ccc(CN(C)c2ncnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)cc1
CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccccc2F)c1=O
CCN(CC)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(C(C)c2ccc(F)c(F)c2)c1=O
CCN(CC)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn([C@@H](C)c2ccccc2)c1=O |r|
CCN(CC)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn([C@H](CO)c2ccccc2)c1=O |r|
CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cc(NCCN(C)C)nn(Cc2ccc(F)c(F)c2)c1=O
CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O
CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cc(OC)nn(Cc2ccc(F)c(F)c2)c1=O
CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
CONc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CON(C)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn([C@H](CO)c2ccccc2)c1=O |r|
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(-c5cn[nH]c5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(-c5ccccc5)c4c3)c2=O)cc1F
Cc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(C5=CCNCC5)c4c3)c2=O)cc1F |t:25|
CN(C)CCCNC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)C(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)c(C)c2c1
CCN(CC)C(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CNC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(cc4c3)C(=O)NC3CC3)c2=O)cc1F
CN1CCC(CC1)NC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CCNC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CC(C)NC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CCN1CCN(CC1)C(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCCN(C)C(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CCCC(C1)NC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CC(C1)NC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(cc4c3)C(=O)N3CCOCC3)c2=O)cc1F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(cc4c3)C(=O)N3CCNCC3)c2=O)cc1F
CN1CCN(CC1)C(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
COCCN1CCN(CC1)C(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)C(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CCC(C1)NC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(-c5cc[nH]c5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(-c5cn[nH]c5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(C5=CCNCC5)c4c3)c2=O)cc1F |t:25|
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(C5=CCCNC5)c4c3)c2=O)cc1F |t:25|
Cc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Cc1n[nH]cc1-c1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
CN(C1CCCCC1)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4ncc(C#N)c(NCCc5ccccc5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4ncc(C#N)c(NCC5CCCCC5)c4c3)c2=O)cc1F
CN(Cc1ccccc1)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
CN(CC1CCCCC1)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
CCN(CC)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
CC(C)N(C)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4ncc(C#N)c(NCc5ccccc5)c4c3)c2=O)cc1F
CCN(C)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
CC(C)Nc1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
CNc1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
CN(CCc1ccccc1)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
COc1ccc(C(=O)c2ccc(=O)n(CCN(C)C)c2)c(O)c1
Oc1c(Cl)cc(cc1NC(=S)NC(=O)c1ccccc1)[N+]([O-])=O
Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1cc(ccc1O)[N+]([O-])=O
Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1c(O)cc(C)c(Cl)c1C
Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1cc(ccc1O)-c1ccccc1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4Cl)c3)ncnc12
COc1cccc(NC(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4)c3)ncnc12
NC(=O)c1cc(OCCN2CCOCC2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
NC(=O)c1cccc2c(NCCc3c[nH]c4ccccc34)ncnc12
CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
NC(=O)c1cccc2c(NCc3cccc(F)c3F)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCCC4)c3)ncnc12
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cc(F)cc(F)c1
CS(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CCN(C[C@@H](Nc1ccccc(cncn1)C(N)=O)C1CC=CC=C1)C(C)C |r,c:22,24|
NC(=O)c1cccc2c(NC(Cn3ccnc3)c3ccccc3)ncnc12
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
CN1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2nncc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(NCCO)c4)c3)ncnc12
COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
CN(C[C@@H](Nc1ncnc2=C(CCC=c12)C(N)=O)c1ccccc1)C1CC1 |r,t:9,13|
COc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cc(F)c(F)c(F)c3)ncnc12
NC(=O)c1cc(cc2c(N[C@H]3CCCNC3)ncnc12)-c1ccsc1 |r|
NC(=O)C1=c2ncnc(N[C@H]3CCCNC3)c2=CC(C1)c1cccs1 |r,c:3,18|
COc1ccc(cc1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
Cn1cc(cn1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
COc1ccc2cc(ccc2c1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
NC(=O)c1cc(cc2c(N[C@H]3CCCNC3)ncnc12)-c1ccc(OC(F)(F)F)cc1 |r|
NC(=O)c1cc(cc2c(N[C@H]3CCCNC3)ncnc12)-c1ccc(cc1)C(F)(F)F |r|
CC(C)n1cc(cn1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
NC(=O)C1CC=C(C=C1)c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r,c:5,7|
N#Cc1ccc(cc1)-c1ccc2ncnc(NC3CCCNC3)c2c1
NC(=O)c1cccc(c1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
NC(=O)c1cc(cc2c(N[C@H]3CCCNC3)ncnc12)-c1ccccc1 |r|
NC(=O)c1cc(cc2c(NC3CCCNC3)ncnc12)-c1ccc(Cl)c(Cl)c1
NC(=O)c1cc(cc2c(NC3CCCNC3)ncnc12)-c1cnoc1
CC(Nc1ncnc2c(cc(cc12)-c1cnn(C)c1)C(N)=O)c1cccc(F)c1
NC(=O)c1cc(\C=C\c2ccccc2)cc2c(N[C@H]3CCCNC3)ncnc12 |r|
Cn1cc(cn1)-c1cc(C(N)=O)c2ncnc(NCc3cccc(F)c3)c2c1
CCC(Nc1ncnc2c(cc(cc12)-c1cnn(C)c1)C(N)=O)c1cccc(F)c1
CN(c1cccc(F)c1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C(C)(C)c3ccccc3)c2c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CC3)c3ccccc3)c2c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3)c2c1
COc1ccc(cc1)N(C[C@H](O)CO)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CCCC3)c3ccccc3)c2c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CCCC3)c3ccc(Cl)cc3)c2c1
CN(c1cccc(Cl)c1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1F
CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl
CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
CCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
CCN(c1ccc(Cl)cc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
CCN(Cc1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCc4cc(F)ccc34)c2c1
CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCc4cc(F)ccc34)c2c1
CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(C)c3ccccc3Cl)c2c1
CCN(c1nncs1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
COCC(O)CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CC(O)CO)c3cccc(c3)C#N)c2c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(O)=O)c3ccccc3Cl)c2c1
COC(=O)CN(c1ccc(Cl)cc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccc(F)cc3F)c2c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3F)c2c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCOc4ccccc34)c2c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCN3CCOCC3)c3cccc(F)c3)c2c1
COCCN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1
CN(c1cccc(F)c1)c1cc(ncn1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCCN)c3ccccc3)c2c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(N)=O)c3ccccc3)c2c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CC3)c3ccccc3F)c2c1
CC(=O)NCCCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CCBr)cc1)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CCCBr)cc1)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CCN=[N+]=[N-])cc1)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CCCN=[N+]=[N-])cc1)C(F)(F)F
CCCCc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
CC(C)(C)c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2ccccc2c1)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1c[nH]c2ccccc12)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1ccccc1)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1ccc(Cl)cc1)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1cc(Cl)cc(Cl)c1)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1cccc(Cl)c1Cl)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1cc(Cl)c(Cl)cc1Cl)C(F)(F)F
Cc1ccc(cc1)-c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1ccc(CBr)cc1)C(F)(F)F
Cc1cc(C)cc(c1)-c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
CCCCc1ccc(cc1)-c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
CC(C)(C)c1ccc(cc1)-c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cc2ccccc2)cc1)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc-2c(Cc3ccccc-23)c1)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1c2ccccc2cc2ccccc12)C(F)(F)F |(10.71,-4.57,;9.62,-3.48,;11.1,-3.08,;9.22,-4.97,;8.53,-2.39,;8.93,-.91,;7.84,.18,;6.35,-.22,;5.95,-1.7,;7.04,-2.79,;5.45,1.03,;3.91,1.03,;3.43,2.49,;4.68,3.4,;5.92,2.49,;7.39,2.97,;7.78,4.46,;6.69,5.55,;7.09,7.03,;8.58,7.43,;9.67,6.34,;9.27,4.86,;10.36,3.77,;9.96,2.28,;11.05,1.19,;10.65,-.3,;9.16,-.69,;8.08,.39,;8.47,1.88,;1.96,2.97,;.82,1.94,;1.64,4.48,;.5,3.45,)|
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cc2ccccc2c2ccccc12)C(F)(F)F
NC(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc34)c2)n(n1)-c1ccc(cc1)C#N
ONC(=N)c1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc34)c2)n(n1)-c1ccc(cc1)-c1nnn[nH]1
FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc34)c2)n(n1)-c1ccc(CN=O)cc1
FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc34)c2)n(n1)-c1ccc(CN=N)cc1
FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc34)c2)n(n1)-c1ccc(CC#N)cc1
N[N+](=O)CCc1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc34)c2)n(n1)-c1ccc(Cc2nnn[nH]2)cc1
NCC(=O)Nc1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
[#7]\[#6](-[#7])=[#7]\c1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
NC(=O)Nc1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5nc[nH]c5c4c3)c2=O)cc1F
OCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn(C6CCC6)c5c4c3)c2=O)cc1F
OCCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CC[C@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r|
CN1CC[C@@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r|
CN(C)CCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CCC[C@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r|
CN1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CC(C)N1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn([C@H]6CCCNC6)c5c4c3)c2=O)cc1F |r|
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn(C6CCNC6)c5c4c3)c2=O)cc1F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn(C6CCNCC6)c5c4c3)c2=O)cc1F
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn([C@H]6CCNC6)c5c4c3)c2=O)cc1F |r|
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(C)nn([C@H](C)c2ccc(F)c(F)c2)c1=O |r|
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccccc2)c1=O
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O
CCOc1cc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](CO)c2cccc(F)c2)c1=O |r|
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](C)c2ccc(F)c(F)c2)c1=O |r|
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](C)C2CCCCC2)c1=O |r|
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](CO)c2ccc(F)c(F)c2)c1=O |r|
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(C)nn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
CCc1c(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1C
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](C)C2CCCCC2)c1=O |r|
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1c(C)n(C)n(C(C)c2ccc(F)c(F)c2)c1=O
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCCCC2)c1=O
COc1cc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2ccccc2)c1=O |r|
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CN)c2ccccc2)c1=O |r|
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2C[C@@H]3CC[C@H]2C3)c1=O |r,THB:28:29:32.33:35|
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCOCC2)c1=O
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCCCO2)c1=O
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCCC2)c1=O
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2(O)CCCCC2)c1=O
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(C[C@H]2CCCC[C@H]2O)c1=O |r|
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCCOC2)c1=O
CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CN)c2ccc(F)c(F)c2)c1=O |r|
CC(C)N1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CC(C)N1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
CCN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(C)nn(Cc2ccc(F)c(F)c2)c1=O
CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
CC(C)N1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
OC[C@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCNC5)c4c3c2)c1=O |r|
CC(C)N1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
CN(C)[C@H]1CC[C@H](CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(C)nn(Cc2ccc(F)c(F)c2)c1=O |r,wU:6.9,3.2,(1.52,-3.16,;.43,-2.07,;.82,-.58,;-1.06,-2.47,;-1.46,-3.95,;-2.95,-4.35,;-4.04,-3.26,;-3.64,-1.78,;-2.15,-1.38,;-5.52,-3.66,;-6.15,-5.07,;-7.68,-4.91,;-8,-3.4,;-9.34,-2.63,;-9.34,-1.09,;-8,-.32,;-8,1.22,;-6.67,1.99,;-5.33,1.22,;-5.33,-.32,;-6.67,-1.09,;-6.67,-2.63,;-4,1.99,;-2.67,2.76,;-1.33,3.53,;,2.76,;1.33,3.53,;1.33,5.07,;2.67,2.76,;4,3.53,;5.33,2.76,;6.67,3.53,;5.33,1.22,;4,.45,;4,-1.09,;5.33,-1.86,;5.33,-3.4,;6.67,-4.17,;8,-3.4,;9.34,-4.17,;8,-1.86,;9.34,-1.09,;6.67,-1.09,;2.67,1.22,;1.33,.45,)|
CC(C)N1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1ccnn(Cc2ccc(F)c(F)c2)c1=O
C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4nc(C)n([C@@H]5CC[C@@H](CC5)N(C)C)c4c3c2)c1=O |r,wU:32.32,35.39,wD:1.0,(2.67,-1.19,;4,-.42,;5.33,-1.19,;5.33,-2.73,;6.67,-3.5,;8,-2.73,;9.34,-3.5,;8,-1.19,;9.34,-.42,;6.67,-.42,;4,1.12,;5.33,1.89,;5.33,3.43,;4,4.2,;2.67,3.43,;1.33,4.2,;1.33,5.74,;,3.43,;-1.33,4.2,;-2.67,3.43,;-4,2.66,;-5.33,1.89,;-6.67,2.66,;-8,1.89,;-8,.35,;-9.34,-.42,;-9.34,-1.96,;-8,-2.73,;-7.68,-4.24,;-6.15,-4.4,;-5.38,-5.74,;-5.52,-2.99,;-4.04,-2.6,;-2.95,-3.69,;-1.46,-3.29,;-1.06,-1.8,;-2.15,-.71,;-3.64,-1.11,;.43,-1.4,;1.52,-2.49,;.82,.09,;-6.67,-1.96,;-6.67,-.42,;-5.33,.35,;2.67,1.89,;1.33,1.12,)|
C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C5CCN(C)CC5)c4c3c2)c1=O |r|
Cc1nc2cnc3ccc(cc3c2n1CCc1ccccc1)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O
OC[C@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCNCC5)c4c3c2)c1=O |r|
Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4ncc5nc[nH]c5c4c3)c2=O)cc1F
CN(C)CCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccccc2)c1=O
OCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
OCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccccc2)c1=O
CN(C)CCn1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O
CN1CC[C@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O |r|
CN1CC[C@@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O |r|
CN1CCC[C@@H](C1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O |r|
CN1CCC[C@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O |r|
CC(C)N1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
CCN1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
Cc1nc2cnc3ccc(cc3c2n1C1CCOCC1)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
OC[C@@H](c1cccc(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCOC5)c4c3c2)c1=O |r|
C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4nc(C)n([C@H]5CC[C@@H](CC5)N(C)C)c4c3c2)c1=O |r,wU:32.32,wD:35.39,1.0,(2.67,-1.19,;4,-.42,;5.33,-1.19,;5.33,-2.73,;6.67,-3.5,;8,-2.73,;9.34,-3.5,;8,-1.19,;9.34,-.42,;6.67,-.42,;4,1.12,;5.33,1.89,;5.33,3.43,;4,4.2,;2.67,3.43,;1.33,4.2,;1.33,5.74,;,3.43,;-1.33,4.2,;-2.67,3.43,;-4,2.66,;-5.33,1.89,;-6.67,2.66,;-8,1.89,;-8,.35,;-9.34,-.42,;-9.34,-1.96,;-8,-2.73,;-7.68,-4.24,;-6.15,-4.4,;-5.38,-5.74,;-5.52,-2.99,;-4.04,-2.6,;-3.64,-1.11,;-2.15,-.71,;-1.06,-1.8,;-1.46,-3.29,;-2.95,-3.69,;.43,-1.4,;1.52,-2.49,;.82,.09,;-6.67,-1.96,;-6.67,-.42,;-5.33,.35,;2.67,1.89,;1.33,1.12,)|
CN(C)[C@H]1CC[C@@H](CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O |r,wU:6.9,wD:34.37,3.2,(2.18,-2.49,;1.09,-1.4,;1.49,.09,;-.39,-1.8,;-1.48,-.71,;-2.97,-1.11,;-3.37,-2.6,;-2.28,-3.69,;-.79,-3.29,;-4.86,-2.99,;-5.48,-4.4,;-4.71,-5.74,;-7.02,-4.24,;-7.34,-2.73,;-8.67,-1.96,;-8.67,-.42,;-7.34,.35,;-7.34,1.89,;-6,2.66,;-4.67,1.89,;-4.67,.35,;-6,-.42,;-6,-1.96,;-3.33,2.66,;-2,3.43,;-.67,4.2,;.67,3.43,;2,4.2,;2,5.74,;3.33,3.43,;4.67,4.2,;6,3.43,;6,1.89,;4.67,1.12,;4.67,-.42,;3.33,-1.19,;3.33,-2.73,;6,-1.19,;7.34,-.42,;8.67,-1.19,;8.67,-2.73,;7.34,-3.5,;7.34,-5.04,;6,-2.73,;3.33,1.89,;2,1.12,)|
CN(C)[C@H]1CC[C@H](CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O |r,wU:6.9,3.2,wD:34.37,(2.18,-2.49,;1.09,-1.4,;1.49,.09,;-.39,-1.8,;-.79,-3.29,;-2.28,-3.69,;-3.37,-2.6,;-2.97,-1.11,;-1.48,-.71,;-4.86,-2.99,;-5.48,-4.4,;-4.71,-5.74,;-7.02,-4.24,;-7.34,-2.73,;-8.67,-1.96,;-8.67,-.42,;-7.34,.35,;-7.34,1.89,;-6,2.66,;-4.67,1.89,;-4.67,.35,;-6,-.42,;-6,-1.96,;-3.33,2.66,;-2,3.43,;-.67,4.2,;.67,3.43,;2,4.2,;2,5.74,;3.33,3.43,;4.67,4.2,;6,3.43,;6,1.89,;4.67,1.12,;4.67,-.42,;3.33,-1.19,;3.33,-2.73,;6,-1.19,;7.34,-.42,;8.67,-1.19,;8.67,-2.73,;7.34,-3.5,;7.34,-5.04,;6,-2.73,;3.33,1.89,;2,1.12,)|
CN(C)[C@H]1CC[C@@H](CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O |r,wU:6.9,wD:33.36,3.2,(2.18,-2.84,;1.09,-1.75,;1.49,-.26,;-.39,-2.14,;-1.48,-1.06,;-2.97,-1.45,;-3.37,-2.94,;-2.28,-4.03,;-.79,-3.63,;-4.86,-3.34,;-5.48,-4.75,;-7.02,-4.59,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;.67,3.08,;2,3.85,;2,5.39,;3.33,3.08,;4.67,3.85,;6,3.08,;6,1.54,;4.67,.77,;4.67,-.77,;3.33,-1.54,;3.33,-3.08,;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,;3.33,1.54,;2,.77,)|
CN(C)[C@H]1CC[C@H](CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O |r,wU:6.9,3.2,wD:33.36,(2.18,-2.84,;1.09,-1.75,;1.49,-.26,;-.39,-2.14,;-.79,-3.63,;-2.28,-4.03,;-3.37,-2.94,;-2.97,-1.45,;-1.48,-1.06,;-4.86,-3.34,;-5.48,-4.75,;-7.02,-4.59,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;.67,3.08,;2,3.85,;2,5.39,;3.33,3.08,;4.67,3.85,;6,3.08,;6,1.54,;4.67,.77,;4.67,-.77,;3.33,-1.54,;3.33,-3.08,;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,;3.33,1.54,;2,.77,)|
Cc1nc2cnc3ccc(cc3c2n1C1CCCOC1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
NC[C@@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCOC5)c4c3c2)c1=O |r|
Cn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CC(C)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CCn1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Cc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CCOc1cc(C(=O)NCC#Cc2ccc3ncc4ncn(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1
CCOc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Cn1c(nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)-c1ccccc1
CCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
COc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
COCCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Cn1c(CF)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
COCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)Cc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CN(C)CCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Cn1c(CCO)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
CCC(=O)CN(c1ccc(Cl)cc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C(C)(O)c3ccccc3)c2c1
Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cn(c4cnccc34)S(=O)(=O)c3ccccc3)c2c1
c1[nH]c2cnccc2c1-c1c[nH]c2ncccc12
Cn1cc(-c2c[nH]c3ncccc23)c2ccncc12
Cn1cc(cn1)-c1cnc2[nH]cc(-c3c[nH]c4cnccc34)c2c1
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cn(C)c4cnccc34)c2c1
Fc1ccc(Cn2cccc(C(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)NCC(=O)Nc3ccc4NC(=O)Cc4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)NCC(=O)Nc3ccc4NC(=O)C(=Cc5cccs5)c4c3)c2=O)cc1F |w:26.26|
Fc1ccc(Cn2cccc(C(=O)NCC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)N[C@@H](C(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c3ccccc3)c2=O)cc1F |r|
Fc1ccc(Cn2cccc(C(=O)N[C@@H](C(=O)Nc3ccc4NC(=O)\C(=C/c5ncc[nH]5)c4c3)c3ccccc3)c2=O)cc1F |r|
Fc1ccc(Cn2cccc(C(=O)NCCC(=O)Nc3ccc4NC(=O)\C(=C/c5cccs5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)NCCC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)Nc3cccc(c3)C(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)NCCCC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)NCCCC(=O)Nc3ccc4NC(=O)C(=Cc5cccs5)c4c3)c2=O)cc1F |w:28.28|
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
C[C@@H]1C[C@H](CN(C1)c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)NC(=O)OC(C)(C)C |r|
C[C@@H]1CC[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)C(=O)Nc1ccccc1 |r|
CC[C@@H]1CO[C@@H](CN1c1cc(nc(NC)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)NC1CCCCC1 |r|
CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](C)C[C@H](C1)N(C)C(=O)OC(C)(C)C |r|
C[C@@H]1C[C@H](CN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)N(C)C(=O)CC(C)(C)C |r|
CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](CC[C@H]1C)C(=O)Nc1ccccc1 |r|
C[C@H]1CC[C@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
C[C@H]1CC[C@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)NC(=O)OC(C)(C)C |r|
CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](OC[C@H]1C)C(=O)NC1CCCCC1 |r|
C[C@@H]1CO[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
CC[C@@H]1CO[C@@H](CN1c1cc(nc(NC)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
C[C@@H]1CC[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)NC1CCCCC1 |r|
CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1 |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccc(F)cc3)C(C)=O)n2)c2c(N)ncnc12 |r|
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccccc3)C(C)=O)n2)c2c(N)ncnc12 |r|
CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
CN[C@@H]1CCc2c1cccc2
COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12 |t:9|
c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N
Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2
CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
COc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2[nH]ccc12
COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2[nH]ccc12
CC(C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 |r|
CC(C)CCCC1(C)CCc2cc(c(C)c(C)c2O1)S(N)(=O)=O
CC(C)CCCC1(C)CCc2cc(cc(Br)c2O1)S(N)(=O)=O
c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F
OP(O)(=O)[C@H](NC[C@@H]1CCCc2ccccc12)c1ccc(F)cc1 |r|
Cc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)c(C)c1
C[C@H](CN[C@H](c1ccc(F)cc1)P(O)(O)=O)c1ccccc1 |r|
OP(O)(=O)[C@H](NCCc1ccc(F)cc1)c1ccc(F)cc1 |r|
C[C@@H](CN[C@H](c1ccccc1)P(O)(O)=O)c1ccccc1 |r|
C[C@@H](CN[C@H](c1ccc(F)c(F)c1)P(O)(O)=O)c1ccccc1 |r|
Cc1cccc(OCCn2c(SCC(O)=O)nc3ccccc23)c1
OC(=O)CSc1nc2ccccc2n1CCOc1ccccc1
OC(=O)Cn1c(SCc2cccc3ccccc23)nc2ccccc12
OC(=O)Cn1c(SCc2ccccc2)nc2ccccc12
Cc1ccccc1OCCSc1nc2ccccc2n1CCC(O)=O
Cc1cccc(OCCSc2nc3ccccc3n2CC(O)=O)c1C
Cc1ccccc1OCCSc1nc2ccccc2n1CC(O)=O
OC(=O)Cn1c(SCCOc2ccccc2F)nc2ccccc12
COc1ccccc1OCCSc1nc2ccccc2n1CC(O)=O
OC(=O)Cn1c(SCCOc2ccccc2)nc2ccccc12
Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C
OC(=O)C\C(=C\c1cccc(c1)C(F)(F)F)c1nc2ccccc2o1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F
CCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
CCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
CCCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
NCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
NCCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(Br)cc12
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccccc1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cccnc1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccncc1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccc(N)nc1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccco1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccn[nH]1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccnn1C
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1c(C)nn(C)c1C
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CCN(C)C)c1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CC(C)C)c1
CCCCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
CSc1c(c(n(n1)C(=O)N)N)C(=O)N
COc1ccc2[nH]c(nc2c1)-c1cc[nH]n1
Nc1nc2c3ccccc3nc(-c3ccccc3)n2n1
Oc1ccc(cc1)-c1n[nH]c2cc(O)ccc12
Nc1ncc(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
Nc1nccc(n1)-c1c[nH]c2ncccc12
CCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
CNc1nccc(n1)-c1cn(CCOC)c2ncccc12
CCc1cc(nc(N)n1)-c1c(C)[nH]c2ncccc12
CCc1cc(nc(N)n1)-c1c[nH]c2nccc(Cl)c12
Nc1ncc(Br)c(n1)-c1c[nH]c2ncccc12
CCc1cc(ncn1)-c1c[nH]c2ncccc12
Cc1nccc(n1)-c1c[nH]c2ncccc12
Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
OP(O)(=O)OC[C@H]1[C@@H](OCc2ccccc2)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r|
OC(=O)\C=C(\CCc1ccc(Br)cc1)c1ccccc1
OC(=O)\C=C(\CCc1ccc(cc1)C(F)(F)F)c1ccccc1
OC(=O)\C=C(\CCc1ccc(Cl)c(Cl)c1)c1ccccc1
OC(=O)\C=C(\CCc1ccc(Cl)cc1Cl)c1ccccc1
OC(=O)\C=C(\CCc1ccc(Br)cc1F)c1ccccc1
OC(=O)\C=C(\CCc1ccc2ccccc2c1)c1ccccc1
OC(=O)\C=C(\CCc1c[nH]c2ccccc12)c1ccccc1
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OCCN)c1
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](C)N)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](C)N)c1 |r|
CC[C@H](N)COc1cncc(c1)-c1cc2c(cnc3cc(OC)c(OC)cc23)c(N)n1 |r|
CC[C@@H](N)COc1cncc(c1)-c1cc2c(cnc3cc(OC)c(OC)cc23)c(N)n1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)CC(C)C)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)CC(C)C)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)Cc2ccccc2)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccc(F)cc2)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)Cc2ccc(F)cc2)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)Cc2cccc(c2)C(F)(F)F)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)Cc2c[nH]c3ccccc23)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccccc2Cl)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2cccc(Cl)c2)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccc(Cl)c(Cl)c2)c1 |r|
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccncc2)c1 |r|
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
Oc1cccc(c1)-c1cc(Nc2ccc3[nH]ncc3c2)nc(n1)N1CCOCC1
OCc1cc(=O)[nH][nH]1
NC(=O)c1[nH]ncc1N
C1CCn2cnnc2C1
Nc1nc(N)c2[nH]cnc2n1
CNc1ncnc2n[nH]cc12
c1csc(n1)-c1ccccc1
Clc1cc(=O)[nH]c2ccsc12
Nc1[nH]nc2ccccc12
NC(=O)c1nnc(N)nc1N
Nc1nnc2ccccc2n1
c1ccc2c(c1)CCNC2=O
NC(=O)c1cccc2cc[nH]c12
Nc1nc2c(O)cccc2s1
Nc1cc(n[nH]1)-c1ccco1
c1cc(n[nH]1)-c1ccncc1
COc1ncnc2nc[nH]c12
c1ccc2c(c1)C(=O)NC=N2
c1ccc2cnc(cc2c1)N
Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Nc1n[nH]c2cc(ccc12)-c1ccncn1
Nc1n[nH]c2cc(ccc12)-c1ccnc(N)c1
Nc1n[nH]c2cc(ccc12)-c1cccc(N)n1
Nc1n[nH]c2cc(ccc12)-c1cccc(N)c1
Nc1n[nH]c2cc(ccc12)-c1ccccn1
Nc1n[nH]c2cc(ccc12)-c1ccncc1
c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl
CC(=O)NC[C@H]1CC[C@@H](CC1)c1nc(-c2cc3ccccc3[nH]2)c2c(N)nccn12 |r,wU:8.11,wD:5.4,(30.4,-52.78,;31.44,-51.63,;32.94,-51.96,;30.97,-50.17,;32,-49.03,;31.53,-47.56,;32.56,-46.41,;32.09,-44.94,;30.58,-44.63,;29.54,-45.77,;30.01,-47.24,;30.1,-43.16,;31.01,-41.9,;30.1,-40.65,;30.58,-39.19,;29.67,-37.94,;30.58,-36.7,;30.27,-35.2,;31.41,-34.17,;32.87,-34.65,;33.19,-36.15,;32.04,-37.18,;32.04,-38.72,;28.62,-41.13,;27.29,-40.37,;27.29,-38.83,;25.96,-41.14,;25.96,-42.68,;27.29,-43.45,;28.63,-42.68,)|
CN(C)C(=O)N1CCC(CC1)c1nc(-c2cc3ccccc3[nH]2)c2c(N)nccn12
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)ncc2C |t:3|
CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)nc1nc[nH]c21 |t:3|
Oc1ccc(cc1)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12
COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)CN)c2)nc2nc[nH]c12
CC(C)n1cc(C(=O)c2cncc(n2)N(C)[C@@H]2CCC[C@@H]2c2ccc(F)cc2)c2c(N)ncnc12 |r|
CN(C)C(=O)Cc1cccc(Nc2ncc3CCc4c(nn(CCCN)c4-c3n2)C(=O)NCc2ccnc(C)c2)c1
Fc1ccc(Cn2cccc(C(=O)N[C@@H](COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F |r|
CNc1cncc(n1)C(=O)c1cn(C(C)C)c2ncnc(N)c12
CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)NCCc4cccnc4
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3COC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCO[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CNC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccccc3)n2)c2c(N)ncnc12 |r|
CCOC(=O)c1ccc(Nc2cc(C)nc(Nc3ccc(cc3)C(=O)OCC)n2)cc1
Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O
Cc1c[nH]c(n1)c2cnc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(cn4)C#N
c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)C#Cc1cccnc1
CC(C#N)c1ccc(cc1)-n1c(C)nc2cnc3ccc(cc3c12)C#Cc1cccnc1 |w:1.0|
CC(C#N)c1ccc(cc1)-n1cnc2cnc3ccc(cc3c12)C#Cc1cccnc1 |w:1.0|
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(CC#N)cc1)C#Cc1cccnc1
N#CCc1ccc(cc1)-n1cnc2cnc3ccc(cc3c12)C#Cc1cccnc1
CCc1nc2cnc3ccc(cc3c2n1-c1ccc(CC#N)cc1)C#Cc1cccnc1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
OC(=O)CN1c2ccccc2CCC(Nc2ccccc2)C1=O
OC(=O)CN1c2ccccc2CCC(Sc2ccccc2)C1=O
OC(=O)CN1c2ccccc2CCC(Sc2ccc(Cl)cc2)C1=O
COc1ccc(SC2CCc3ccccc3N(CC(O)=O)C2=O)cc1
OC(=O)CN1c2ccccc2CCC(Sc2ccc(cc2)C(O)=O)C1=O
OC(=O)CN1c2ccccc2CCC(Sc2ccc(Cl)cc2Cl)C1=O
OC(=O)CN1c2ccccc2CCC(Sc2c(Cl)cccc2Cl)C1=O
OC(=O)CSC(CC(=O)c1ccc(Cl)cc1)c1ccccc1
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:4.4,2.2,101.103,86.89,28.37,8.17,47.56,69.76,wD:96.99,39.45,58.68,77.85,20.25,109.111,(30.61,-7.98,;29.28,-8.75,;27.95,-7.98,;27.95,-6.44,;26.61,-8.75,;25.28,-7.98,;25.28,-5.98,;26.61,-5.21,;23.94,-5.21,;23.94,-3.67,;25.28,-2.9,;26.61,-3.67,;27.94,-2.9,;27.94,-1.37,;29.28,-.6,;26.61,-.6,;25.28,-1.37,;22.61,-5.99,;21.28,-5.22,;21.28,-3.68,;19.95,-5.99,;19.95,-7.53,;21.28,-8.3,;22.62,-7.53,;21.28,-9.84,;18.61,-5.22,;17.28,-5.98,;17.28,-7.52,;15.94,-5.21,;15.94,-3.67,;17.28,-2.9,;18.61,-3.67,;19.94,-2.9,;19.94,-1.37,;18.61,-.6,;17.28,-1.37,;14.61,-5.99,;13.28,-5.22,;13.28,-3.68,;11.95,-5.99,;11.95,-7.53,;13.28,-8.3,;14.62,-7.54,;13.28,-9.84,;10.61,-5.22,;9.27,-5.98,;9.27,-7.52,;7.94,-5.21,;7.94,-3.67,;9.27,-2.9,;9.27,-1.36,;10.61,-.6,;10.6,.94,;9.28,1.71,;11.95,1.71,;6.61,-5.99,;5.28,-5.22,;5.28,-3.68,;3.94,-5.99,;3.94,-7.53,;5.28,-8.3,;6.61,-7.53,;7.94,-8.3,;7.93,-9.84,;6.6,-10.61,;5.27,-9.84,;2.61,-5.22,;1.27,-5.98,;1.27,-7.52,;-.06,-5.21,;-.06,-3.67,;1.27,-2.9,;1.27,-1.36,;2.61,-.59,;-1.4,-5.98,;-2.73,-5.21,;-2.73,-3.67,;-4.06,-5.98,;-4.06,-7.52,;-2.73,-8.29,;-2.73,-9.83,;-4.06,-10.61,;-1.4,-10.6,;-5.4,-5.21,;-6.73,-5.97,;-6.73,-7.51,;-8.07,-5.2,;-9.4,-5.98,;-8.07,-3.66,;-6.73,-2.89,;-6.73,-1.35,;-8.06,-.59,;-5.4,-.58,;26.61,-10.29,;25.28,-11.06,;27.94,-11.07,;27.93,-12.61,;26.6,-13.38,;29.27,-13.38,;30.6,-12.61,;29.27,-14.92,;30.6,-15.69,;31.94,-14.92,;33.27,-15.69,;33.28,-17.24,;34.6,-14.92,;30.6,-17.23,;29.27,-18,;31.93,-18,;31.93,-19.54,;30.6,-20.31,;30.6,-21.85,;31.84,-22.76,;31.37,-24.22,;29.83,-24.22,;28.8,-25.36,;27.29,-25.03,;26.81,-23.58,;27.84,-22.43,;29.35,-22.76,;33.26,-20.31,;33.26,-21.86,;34.6,-19.54,)|
NC(=O)Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
NC(=O)c1nn(CC2CCNCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21
NCCCn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)NC3CCNC3)c2)nc2nc[nH]c12
COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)C(=O)NC2CCNC2)nc2nc[nH]c12
COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)C3CCNCC3)c2)nc2nc[nH]c12
COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)C(=O)NC2CCNCC2)nc2nc[nH]c12
COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCCC3)c2)nc2nc[nH]c12
COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)NCCN3CCOCC3)c2)nc2nc[nH]c12
COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)NCCN3CCOCC3)c2)nc2nc[nH]c12
COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)NC3CCNC3)c2)nc2nc[nH]c12
COc1cc(ccc1N)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
Fc1ccc(cn1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
O=C(Nc1cccc(Nc2nc(-c3ccncc3)c3[nH]cnc3n2)c1)N1CCCC1
O=C(Nc1cccc(Nc2nc(-c3ccc4OCOc4c3)c3[nH]cnc3n2)c1)N1CCCC1
COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
CN1CCN(Cc2cccc(c2)-c2nc(Nc3cccc(Cl)c3)nc3nc[nH]c23)CC1
COc1ccc(cc1OC)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12
Fc1ccc(cc1)-c1sc2c(nc[nH]c2=O)c1-c1ccccc1
C1CN(CCO1)c1ncnc2nc[nH]c12
OC(=O)c1cc2cc(F)ccc2[nH]1
Cc1sc2nc[nH]c(=O)c2c1C
CC(C)(C)c1cc2nc[nH]c(=O)c2s1
Cc1n[nH]c(=O)c2nc[nH]c12
COc1ccc(Nc2ncnc3n[nH]cc23)cc1
CC1NNc2oc(=O)cc(C)c12
CC(=O)Nc1nc2ccc(F)cc2s1
O=c1[nH]ccn2nc3CCCCc3c12
COc1ccc(cc1)-c1cc2nc[nH]c(=O)c2s1
Cc1csc2c1nc[nH]c2=O
CNc1csc2c1nc[nH]c2=O
CN(C)c1csc2c1nc[nH]c2=O
O=C(Nc1csc2c1nc[nH]c2=O)c1ccccc1
O=c1[nH]cnc2c(csc12)-c1ccccc1
COc1ccc(cc1OC)-c1c(sc2c1nc[nH]c2=O)-c1ccc(F)cc1
Fc1ccc(cc1)-c1sc2c(nc[nH]c2=O)c1\C=C\c1ccccc1
Fc1ccc(cc1)-c1sc2c(nc[nH]c2=O)c1-c1cn[nH]c1
O=c1[nH]cnc2ccsc12
Fc1ccc(cc1)-c1cc2nc[nH]c(=O)c2s1
Cc1c(sc2c1nc[nH]c2=O)-c1ccc(F)cc1
[#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1
[#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1C
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(O)=O |r|
OC(=O)C(C(CC(=O)c1ccc(I)cc1)c1ccccc1)C(O)=O
OC(=O)C(C(CC(=O)c1ccc2c(c1)[nH]c1ccccc21)c1ccccc1)C(O)=O
OC(=O)C(C(CC(=O)c1ccc(I)cc1)c1ccc2ccccc2c1)C(O)=O
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1
Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)C3CCC3)n2)c1
Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)n2)c1
Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3cccs3)n2)c1
Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCC1 |r|
C[C@@H]1CC[C@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCCC(C1)NC(=O)c1ccccc1
CC(C)(C)OC(=O)NC1CCCN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
CC(C)(C)OC(=O)N[C@H]1CCCN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
C[C@@H]1CC[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)NC(=O)OC(C)(C)C |r|
CNc1nccc(n1)-c1ccc2c(N)n[nH]c2c1
CN(C)c1nccc(n1)-c1ccc2c(N)n[nH]c2c1
CCNc1nccc(n1)-c1ccc2c(N)n[nH]c2c1
COc1nccc(n1)-c1ccc2c(N)n[nH]c2c1
Cc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
CC(C)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)-c1ccccc1
COc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
CNc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
CCNc1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1
CC(C)Nc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
Nc1n[nH]c2cc(ccc12)-c1cc(NC2CCCC2)nc(N)n1
Nc1n[nH]c2cc(ccc12)-c1cc(Nc2ccccc2)nc(N)n1
CN(C)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
Nc1[nH]nc2cc(ccc12)-c1cc(nc(N)n1)N1CCOCC1
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCCC1
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCCCC1
C[C@@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1 |r|
C[C@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
CC[C@@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
C[C@@H]1CCCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
Nc1[nH]nc2cc(ccc12)-c1cc(nc(N)n1)N1CCO[C@@H](C1)C(=O)Nc1ccccc1 |r|
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCO[C@H](C1)C(=O)Nc1ccccc1 |r|
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)Nc1ccccc1 |r|
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@H](C1)C(=O)Nc1ccccc1 |r|
CC(C)[C@@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCCC1 |r|
OP(O)(=O)O[C@H]1[C@@H](OCc2ccccc2)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O |r|
c1cc2c(cc1Br)c(n[nH]2)N
Nc1n[nH]c2cccc(I)c12
Nc1n[nH]c2cc(Br)ccc12
CC(C)(C#N)c1cccc(c1)-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Clc1n[nH]c2cccc(Br)c12
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
Oc1ccc(cc1)-c1ccc(cc1)C(=O)C(Cl)Cl
COc1cc2CCN(CC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)Cc2cc1OC
CS(=O)(=O)Nc1ccc2NC(=O)\C(=C/c3cccs3)c2c1
CS(=O)(=O)Nc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl
Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5
COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
CSc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)cc1 |t:7|
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC