smiles
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CC1=NN(c2nc3c(n2C1)c(=O)n(c(=O)n3C)CC=C)CCOC |
C=CCn1c(=S)n(nn1)[C@@H]2CC([C@H]3OC[C@@H]2O3)N=NC(=S)N |
CCc1cnc2c(c1OC)c(=O)n(c(=O)n2C)CC(=O)NCC=C |
C[C@@H]1C(=NN(c2n1c3c(n2)n(c(=O)n(c3=O)CC=C)C)CC(=O)N)C |
C[C@H]1C(=NN(c2n1c3c(n2)n(c(=O)n(c3=O)CC=C)C)CC(=O)N)C |
Cc1cc(n(c(=O)c1C#N)CCn2c(c([nH]c2=O)CC(=O)[O-])[O-])C |
c1cc(ccc1N=NC(C#N)C(=O)N)S(=O)(=O)N2CCOCC2 |
CC(C)OC[C@H](Cn1c2c(=O)[nH]c(=O)n(c2nc1NCC=C)C)O |
CC(C)OC[C@@H](Cn1c2c(=O)[nH]c(=O)n(c2nc1NCC=C)C)O |
CCOC(=O)/C=c\1/c(=O)n(/c(=C(/C#N)\C(=O)N)/s1)c2ccccc2 |
COc1ccc(cc1)C(=C2C(=O)C(=O)OC23C(=O)NC(=O)NC3=O)[O-] |
C[NH+]1CCc2c(c3nncn3c(c2C#N)N4CC[NH+](CC4)CCO)C1 |
Cc1c(sc(n1)c2c(cn(c2N)[C@@H]3CS(=O)(=O)C[C@@H]3O)O)C |
Cc1c(sc(n1)c2c(cn(c2N)[C@H]3CS(=O)(=O)C[C@@H]3O)O)C |
Cc1csc(n1)c2c(cn(c2N)[C@@H]3CS(=O)(=O)C[C@@H]3O)O |
Cc1csc(n1)c2c(cn(c2N)[C@H]3CS(=O)(=O)C[C@@H]3O)O |
C=CCN(CC#C)C(=O)CCCn1c(nnn1)C[NH+]2CCOCC2 |
c1cc(ccc1NC(=O)[C@H](CCCN/C(=N\N(=O)=O)/N)[NH3+])N(=O)=O |
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)N(CCC#N)CCC#N |
CNC(=O)c1c(nc[nH]1)/N=c\2/n(c(c(s2)CC(=O)OC)O)C |
CNC(=O)c1c(nc[nH]1)/N=c\2/n(c(c(s2)CC(=O)OC)O)C |
c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CC([C@@H]4OC[C@H]3O4)N=NC(=S)N |
Cc1c(c(=O)n([nH]1)C(=S)N)N=Nc2ccc(cc2)S(=O)(=O)N |
c1cc(ccc1N=Nc2c([nH]c(=S)[nH]c2=O)[O-])S(=O)(=O)N |
CC(=O)Nc1ccc(cc1)S(=O)(=O)NC2=NC[NH+](CN2)CCO |
CCC(=NCC[NH+]1CCOCC1)c2c(=O)[nH]c(=O)n(c2[O-])CC=C |
Cn1c(c(c(=O)n(c1=O)C)N=Nc2ccc(cc2)S(=O)(=O)[O-])[O-] |
CC(=C)Cn1c2c(=O)[nH]c(=O)n(c2nc1N3CC[NH+](CC3)CCO)C |
CC(=C)Cn1c(nc2c1c(=O)n(c(=O)n2C)C)C[NH+]3CCOCC3 |
Cn1c2c(c(=O)n(c1=O)C)n(c(n2)CN3CC[NH+](CC3)C)CC=C |
CC(=NCCC[NH+]1CCOCC1)c2c(=O)[nH]c(=O)n(c2[O-])CC=C |
C=CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)N2C(=O)c3ccccc3C2=O |
c1cc(ccc1N/N=C\2/C(=O)NC(=O)N(C2=O)CCCO)N(=O)=O |
Cc1nc(nc(n1)OC)N(C)C(=O)NS(=O)(=O)N2CCOCC2 |
COc1cc(nc(n1)NC(=O)NS(=O)(=O)N2CCOCC2)OC |
CC1C[C@@H]2[C@](C(=O)C1=O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO |
C/C(=C\CC[C@](C)(C=C)O)/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
Cn1c2c(c(=O)n(c1=O)C)n(c(n2)N=NCc3ccncc3)CCO |
CC1C[C@@H]2[C@](C(=O)C1=O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)COC(=O)C |
CC(=O)C[C@@H]1[C@]2(CN(C[C@@]1(C(=O)C=C2)N(=O)=O)CCO)N(=O)=O |
CC(=O)C[C@H]1[C@]2(CN(C[C@@]1(C(=O)C=C2)N(=O)=O)CCO)N(=O)=O |
CC(=O)N[C@H]1[C@@H]([C@H]([C@H](O[C@H]1Oc2ccccc2CC=C)CO)O)O |
Cc1cc(n(c(=O)c1C#N)CCn2c(c([nH]c2=O)CC(=O)[O-])[O-])C |
C/C(=C\CC[C@@](C)(C=C)O)/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)[NH2+]4)OC |
COc1ccc(cc1OC)S(=O)(=O)NC2=NC[NH+](CN2)CCO |
c1cc(ccc1N)S(=O)(=O)[N-]C(=O)N[NH+]2CCS(=O)(=O)CC2 |
COC(=O)CN1CCN(CC1=O)C(=O)Nc2nc([nH]n2)c3ccco3 |
CCC(CC)[C@@H]([C@@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)[O-])[NH+]=C(N)N)NC(=O)C |
c1ccc(cc1)S(=O)(=O)NC(=O)N2C[C@@H]3C[NH2+]C[C@@]3(C2)C(=O)[O-] |
CN1CC(=O)N2CC[NH+](C[C@@H]2C1=O)Cc3ccc(s3)C#CCO |
CN1CC(=O)N2CC[NH+](C[C@H]2C1=O)Cc3ccc(s3)C#CCO |
CS(=O)(=O)N1C[C@H]2CN(C[C@]2(C1)C(=O)[O-])c3c(cccn3)C#N |
Cn1c(c(c(=O)n(c1=O)C)C#N)N2CCc3c(c(ncn3)N(C)C)C2 |
CN1CC(=O)N2CC[NH+](C[C@@H]2C1=O)Cc3cc(cs3)C#CCO |
CN1CC(=O)N2CC[NH+](C[C@H]2C1=O)Cc3cc(cs3)C#CCO |
CNC(=O)C[NH+]1CCN(CC1)c2c3cnn(c3ncn2)CCC#N |
C[NH+]1C[C@H]2C[NH2+]C[C@]2(C1)C(=O)N3CCN(CC3)c4c(cccn4)C#N |
Cn1c(c(c(=O)n(c1=O)C)C#N)N2CCc3c(c(ncn3)OC)C2 |
c1c2c(ncnc2N3CCN(CC3)S(=O)(=O)N)n(n1)CCC#N |
COCCN1CCC[C@@](C1=O)(C[NH+]2CCn3c(cc(n3)C#N)C2)O |
COCCN1CCC[C@](C1=O)(C[NH+]2CCn3c(cc(n3)C#N)C2)O |
Cn1c(nnn1)SCCn2ccc3c(c2=O)cc(c(=O)[nH]3)C#N |
COc1c(cc2c(n1)ccn(c2=O)CCc3c[nH]c(=O)[nH]c3=O)C#N |
CS(=O)(=O)OCc1nc(c2c(n1)n(nn2)C[C@@H]3CCCO3)N |
CS(=O)(=O)OCc1nc(c2c(n1)n(nn2)C[C@H]3CCCO3)N |
Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)OC)[NH3+])O)O |
CCCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O |
CCCCCCCCC(=O)N(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
c1cc(ccc1C#N)S(=O)(=O)N2CCO[C@@]3(C2)C[NH2+]CCOC3 |
c1cc(ccc1C#N)S(=O)(=O)N2CCO[C@]3(C2)C[NH2+]CCOC3 |
C=CCN1C[C@]2(CN(C[C@H]2C1=O)c3c4cn[nH]c4nc(n3)N)C(=O)[O-] |
C=CCN1C[C@]2(CN(C[C@H]2C1=O)C(=O)c3ccc(o3)CO)C(=O)[O-] |
Cn1cc(cn1)CCC(=O)N2C[C@H]3C(=O)N(C[C@]3(C2)C(=O)[O-])CC=C |
C=CCNc1c2c(nc(n1)N)CCN(CC2)C(=O)C3=NNC(=O)CC3 |
Cc1c(cn(n1)CCO)C[NH+]2C[C@H]3C(=O)N(C[C@]3(C2)C(=O)[O-])CC=C |
CCC#CCN1CCN([C@H]2[C@@H]1CS(=O)(=O)C2)CC(=O)N(C)C |
C=CCN1C[C@]2(C[NH+](C[C@H]2C1=O)CC(=O)NCc3ccco3)C(=O)[O-] |
C=CCn1c2c(c(n1)C(=O)[O-])C[C@@H](CC2)N3CC[NH+](CC3)CC(=O)N |
C=CCn1c2c(c(n1)C(=O)[O-])C[C@H](CC2)N3CC[NH+](CC3)CC(=O)N |
c1cc(cc(c1)S(=O)(=O)N2CCOCC2)C(=O)Nc3n[n-]nn3 |
c1ccc(c(c1)C#N)N2CCN(CC2=O)C(=O)Cn3c(nnn3)N |
c1ccc(c(c1)C(=O)N)OCC#CCNC(=O)Cn2c(ccc2O)O |
C[NH+]1CCN(C[C@@]12CCC(=O)N(CC2)CC=C)C(=O)Cn3nccn3 |
C[NH+]1CCN(C[C@]12CCC(=O)N(CC2)CC=C)C(=O)Cn3nccn3 |
C[NH+]1CCN(C[C@@]12CCC(=O)N(CC2)CC=C)C(=O)Cn3ccnn3 |
C[NH+]1CCN(C[C@]12CCC(=O)N(CC2)CC=C)C(=O)Cn3ccnn3 |
C[NH+]1CCN(C[C@@]12CCC(=O)N(CC2)CC=C)C(=O)Cn3ncnn3 |
C[NH+]1CCN(C[C@]12CCC(=O)N(CC2)CC=C)C(=O)Cn3ncnn3 |
c1cc(c(nc1)N2CCN(CC2)C(=O)CC[C@@H]3C(=O)NC(=O)N3)C#N |
c1cc(c(nc1)N2CCN(CC2)C(=O)CC[C@H]3C(=O)NC(=O)N3)C#N |
c1cc(c(nc1)N2CCC(CC2)NC(=O)Cn3c(c[nH]c3=O)[O-])C#N |
C[NH+]1CCN(C[C@@]12CCC(=O)N(CC2)CC=C)C(=O)Cn3cnnc3 |
C[NH+]1CCN(C[C@]12CCC(=O)N(CC2)CC=C)C(=O)Cn3cnnc3 |
Cn1c(=O)c(c[nH]c1=O)CC(=O)N2CCC[C@@](C2)(CC=C)C(=O)[O-] |
Cn1c(=O)c(c[nH]c1=O)CC(=O)N2CCC[C@](C2)(CC=C)C(=O)[O-] |
Cn1cc(nc1)S(=O)(=O)N2C[C@H]3C[NH+](C[C@]3(C2)C(=O)[O-])CC=C |
C[NH+](CCOC)C[C@@H]1CN(C[C@@H]1CO)C(=O)C2(CCOCC2)C#N |
C[NH+]1CCN(C[C@@]12CCC(=O)N(CC2)CC=C)C(=O)Cn3cnnn3 |
C[NH+]1CCN(C[C@]12CCC(=O)N(CC2)CC=C)C(=O)Cn3cnnn3 |