186 SMILES Strings for Isocitrate dehydrogenase [NADP], mitochondrial

Compound Name
SMILES String
FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C(F)(F)C(=O)NC2CC2)c1
FC(F)(F)c1cccc(NC(=O)Nc2cc(CC(=O)NC3CC3)ccc2-c2ccsc2)c1
FC(F)(F)CNC(=O)C(F)(F)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C2(CC2)C(=O)NC2CC2)c1
CC(C)NC(=O)C(F)(F)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
CC(C)(C(=O)NC1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2ccc3CNC(=O)c3c2)c1
FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C(F)(F)C(=O)NC2(CC2)C#N)c1
FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C2(CCC2)C(=O)NC2CC2)c1
FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C(F)(F)C(=O)NC2COC2)c1
CCC(C(=O)NC1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Fc1ccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C(F)(F)C(=O)NC2CC2)cc1C(F)(F)F
NC(C(=O)NC1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Cc1cc(-c2ccc(cc2NC(=O)Nc2cccc(c2)C(F)(F)F)C(F)(F)C(=O)NC2CC2)n(C)n1
FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C(=O)NC2CC2)c1
CC(C(=O)NC1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
CC(NC1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
CC(C)(C(=O)NC1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
CC(NC(=O)C1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccccc2)C(F)(F)C(=O)NC2CC2)c1
FC(F)(F)c1cccc(NC(=O)Nc2cc(CNC(=O)C3CC3)ccc2-c2ccsc2)c1
C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5
Cc1cccc(NC(=O)c2nn(Cc3c[nH]cn3)c3CCN(Cc23)C(=O)c2ccc[nH]2)c1
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r|
C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)[C@@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r|
CC[C@@H](N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r|
C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r|
CC[C@H](N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r|
CCN1C(=O)OCc2cnc(N[C@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r|
C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r|
CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r|
C=CC(=O)N1CCN(C2CCCC/C=C/CN3C(=O)OCc4cnc(nc43)N[C@@H](C)c3ccc2cc3)CC1
C=CC(=O)N1CCN(C2CCCCCCCN3C(=O)OCc4cnc(nc43)N[C@@H](C)c3ccc2cc3)CC1
CSc1cccc(-c2nc(N[C@H](C)C(F)(F)F)nc(N[C@H](C)C(F)(F)F)n2)n1
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(S(C)=O)n2)n1)C(F)(F)F
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(S)n2)n1)C(F)(F)F
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(SC[C@H](N)C(=O)O)n2)n1)C(F)(F)F
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(SSc3cccc(-c4nc(N[C@H](C)C(F)(F)F)nc(N[C@H](C)C(F)(F)F)n4)n3)n2)n1)C(F)(F)F
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(S(C)(=O)=O)n2)n1)C(F)(F)F
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2cc(Cl)ccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cc(F)cc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
CC(C)N1C(=O)OCc2cnc(N[C@H](C)c3ccc(CN4CCN(CC4)C(=O)C=C)cc3)nc12 |r|
CC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])Nc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F
CC(C)(O)CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1csc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
FC(F)(F)c1cncc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
FC(F)(F)c1cccc(n1)-c1nc(NOCC2CC2)nc(Nc2ccnc(c2)C(F)(F)F)n1
CC(C)(O)CONc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F
CCONc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F
Cc1ccc(Cl)cc1NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1
CC(C)Nc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccccc1
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F |r|
[H][C@@]1(COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)nc2[nH]ccc12)[C@H](C)F |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)nc2[nH]ccc12 |r|
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-n1ccc(n1)C(F)(F)F)C1CC1 |r|
CC(C)(C)ONc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F
C[C@@H](C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(Cl)ccc23)c2cccnc12 |t:4|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2cccnc12 |t:4|
Cc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:21|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCCn3ccnc3)c3ccccc23)c2cccnc12 |t:4|
Cc1nccn1CC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(F)ccc23)c2cccnc12 |t:4|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(Br)ccc23)c2cccnc12 |t:4|
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r|
CCC(Nc1nc(NC(CC)C2CC2)nc(n1)-c1cccc(Cl)n1)C1CC1
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(Cl)n1)C1CC1 |r|
CC(C)Nc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)-c1nc(NCC2CC2)nc(NCC2CC2)n1
FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
FC1(F)CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(Cl)n1
CC(Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
CC(C)(C)Nc1nc(NC(C)(C)C)nc(n1)-c1cccc(n1)C(F)(F)F
FC1(F)CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(Cl)n1
FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
C[C@H](Nc1nc(N[C@@H](C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F |r|
COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r|
Fc1ccc2[nH]c(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)nc2c1
Brc1ccc2[nH]c(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)nc2c1
Cc1cc(C)c2[nH]c(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)nc2c1
Brc1ccc2nc(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)[nH]c2c1Br
COc1ccc2nc(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)[nH]c2c1
[O-][N+](=O)c1ccc2[nH]c(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)nc2c1
O=S(=O)(NC1CC1)c1ccc(-c2ccsc2)c(Nc2nc3ccc(cc3[nH]2)C#N)c1
FC(F)(F)c1ccc2nc(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)[nH]c2c1
COC(=O)c1ccc2nc(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)[nH]c2c1
CCOC(=O)c1ccc2nc(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)[nH]c2c1
Fc1cc(F)c2[nH]c(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)nc2c1
Cc1ccc2nc(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)[nH]c2c1C
Fc1ccc2nc(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)[nH]c2c1F
Clc1ccc2nc(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)[nH]c2c1Cl
Fc1ccc2nc(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)[nH]c2c1Cl
FC(F)(F)c1ccc2nc(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)[nH]c2c1Cl
FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NC2CC2)c1
Clc1ccc2nc(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)[nH]c2c1
O=S(=O)(NC1CC1)c1ccc(-c2ccsc2)c(Nc2nc3ccccc3[nH]2)c1
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:26:25:20.21.22:18,17:18:20:28.27.25,THB:26:25:20:22.23.18,27:21:18:28.25.24,27:25:20.21.22:18,24:25:20:22.23.18,24:23:20:28.27.25,(9.74,-13.04,;10.37,-11.64,;11.83,-12.11,;12.74,-10.87,;11.83,-9.62,;10.37,-10.1,;9.74,-8.69,;9.03,-10.87,;7.49,-10.87,;6.72,-12.2,;6.72,-9.53,;14.27,-10.87,;15.04,-9.53,;16.59,-9.53,;17.36,-10.87,;18.9,-10.87,;19.67,-12.2,;19.67,-9.53,;21.07,-9.14,;22.15,-10.03,;22.37,-11.66,;22.96,-10.32,;21.8,-9.37,;21.52,-7.88,;22.78,-7.21,;23.89,-8.13,;24.77,-6.97,;24.21,-9.63,;23.31,-9.35,;16.59,-12.2,;17.36,-13.53,;18.9,-13.53,;19.67,-14.87,;18.9,-16.2,;19.67,-17.53,;17.36,-16.2,;15.04,-12.2,)|
FC(F)(F)c1cc2Nc3nc(NCCC\C=C/COc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |c:15|
FC(F)(F)c1cc2CCCCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cc2C\C=C\CCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |t:8|
FC(F)(F)c1cc2C\C=C\CCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |t:8|
Fc1cc2CCCCOCCNc3nc(Nc(c1)c2)nc(n3)-c1cccc(n1)C(F)(F)F
CC1CNc2nc(Nc3cc(C\C=C/CO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F |c:12|
FC(F)(F)c1cc2Nc3nc(NCCCCCOc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cc2CCCCCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cc2CCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cc2C\C=C\CCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |t:8|
CC1(C)CNc2nc(Nc3cc(OCCCO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F
Cc1cc2CCCCOCCNc3nc(Nc(c1)c2)nc(n3)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cc2C\C=C/COCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |c:8|
CC(C)(CNc1nc(Nc2cccc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)OCC=C
CC1(C)CNc2nc(Nc3cc(CCCCO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F
CC1CNc2nc(Nc3cc(CCCCO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F
CC(C)(O)CNc1nc(Nc2ccncc2)nc(n1)-c1cccc(n1)C(F)(F)F
CC(C)(O)CNc1nc(Nc2cccc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F
CC(C)(O)CNc1nc(Nc2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F
CC1(C)CNc2nc(Nc3cc(C\C=C/CO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F |c:13|
FC(F)(F)c1cc2Nc3nc(NCC\C=C/COc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |c:14|
FC(F)(F)c1cc2CCCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cc2C\C=C\CCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |t:8|
CC1(C)CCNc2nc(Nc3cc(CCCCO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)-c1nc2NCCOCCCCc3cc(Cl)cc(Nc(n2)n1)c3
CC(C)(CNc1nc(Nc2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)OCC=C
FC(F)(F)c1cc2CCCCOCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F
Fc1cc2C\C=C/COCCNc3nc(Nc(c1)c2)nc(n3)-c1cccc(n1)C(F)(F)F |c:5|
FC(F)(F)c1cccc(n1)-c1nc2NCCOC\C=C/Cc3cc(Cl)cc(Nc(n2)n1)c3 |c:19|
Cc1cc2C\C=C/COCCNc3nc(Nc(c1)c2)nc(n3)-c1cccc(n1)C(F)(F)F |c:5|
FC(F)(F)c1cc2Nc3nc(NCCCCCCOc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cc2Nc3nc(NCCCCCOC(=O)c(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cc2Nc3nc(NCCCCNC(=O)c(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F
CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CC2CCC1CO2 |r|
CC(C)(C)Nc1nc(Nc2ccccc2)nc(n1)-c1ccccc1
O[C@]1(CCN(C1)c1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F |r|
CC(C)(O)CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(Nc2cccc(n2)C(F)(F)F)n1
OCCNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(Nc2cccc(n2)C(F)(F)F)n1
CN(C)CCNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(Nc2cccc(n2)C(F)(F)F)n1
OC1CCCN(C1)c1nc(Nc2ccnc(c2)C(F)(F)F)nc(Nc2cccc(n2)C(F)(F)F)n1
FC(F)(F)c1cc(Nc2nc(Nc3cccc(n3)C(F)(F)F)nc(n2)N2CCCCC2)ccn1
OC1CCCN(C1)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(n2)C(F)(F)F)n1
OC1CCN(C1)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(n2)C(F)(F)F)n1
O[C@H]1CCN(C1)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(n2)C(F)(F)F)n1 |r|
O[C@@H]1CCN(C1)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(n2)C(F)(F)F)n1 |r|
OCC(O)CNc1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(n2)C(F)(F)F)n1
OCC(CO)Nc1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(n2)C(F)(F)F)n1
OC1CCCN(C1)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1
O[C@@H]1CCCN(C1)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1 |r|
O[C@H]1CCCN(C1)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1 |r|
CNc1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1
CN(C)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1
CC(C)(O)CNc1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1
OCC(O)CNc1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1
OC[C@H](O)CNc1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1 |r|
OC[C@@H](O)CNc1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1 |r|
OCC(CO)Nc1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1
FC(F)(F)c1cccc(Nc2nc(N[C@H]3CCNC3)nc(Nc3cccc(c3)C(F)(F)F)n2)c1 |r|
FC(F)(F)c1cccc(Nc2nc(NC3CCCNC3)nc(Nc3cccc(c3)C(F)(F)F)n2)c1
CN1CCC(CC1)Nc1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1
FC(F)(F)c1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(c3)C(F)(F)F)n2)c1
FC(F)(F)c1cccc(Nc2nc(Nc3cccc(c3)C(F)(F)F)nc(n2)N2CCNCC2)c1
NC1CCCN(C1)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1
NC1CCN(CC1)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1
OC(=O)C1CCCN(C1)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1
OC(=O)C1CCN(CC1)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1
FC(F)(F)c1cccc(Nc2nc(Nc3cccc(c3)C(F)(F)F)nc(n2)N2CCCCC2)c1
OC1CCN(CC1)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1
OC1CCN(C1)c1nc(Nc2cccc(c2)C(F)(F)F)nc(Nc2cccc(c2)C(F)(F)F)n1
c1ccc(c(c1)[C@@H](C(=O)NC2CC(C2)(F)F)N(c3cc(cnc3)F)C(=O)[C@@H]4CCC(=O)N4c5cc(ccn5)C#N)Cl
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2)N2CCC(CC2)NS(=O)(=O)C=C)ncc1F |r|
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cc1
Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12 |(3.9,1.01,;2.57,.24,;1.13,.79,;.16,-.41,;-1.38,-.41,;-2.15,-1.74,;-2.15,.93,;-3.69,.93,;-4.16,2.39,;-2.92,3.3,;-1.67,2.39,;-.18,2.79,;.91,1.7,;.22,4.28,;1.3,3.19,;-4.77,-.16,;-6.26,.24,;-6.66,1.72,;-7.35,-.85,;-6.95,-2.34,;-8.04,-3.43,;-5.47,-2.74,;-4.38,-1.65,;-2.89,-2.05,;1,-1.7,;.6,-3.19,;1.69,-4.28,;3.18,-3.88,;3.58,-2.39,;5.07,-1.99,;5.47,-.5,;6.95,-.11,;8.04,-1.19,;7.35,1.38,;2.49,-1.3,)|
C[C@@H](Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F |r|
FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2Cc3ccccc3C2)n1
C=CC(=O)N1CCN(Cc2ccc([C@H](C)Nc3ncc4c(n3)N(C(C)C)C(=O)OC4)cc2)CC1
C=CC(=O)N1CCN(Cc2ccc([C@H](C)Nc3ncc4c(n3)N(C)C(=O)OC4)cc2)CC1
C=CC(=O)N1CCC(N(C)Cc2ccc([C@H](C)Nc3ncc4c(n3)N(CC)C(=O)OC4)cc2)CC1
CC(C)CN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(COC4CN(C4)C(=O)C=C)cc3)nc12 |r|
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C