text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
COc1ccc(OCCCN=C(O)Nc2cc(OC)c(OC)cc2C)cc1 | unichem_smiles | 30 |
CCc1ccccc1N=C(O)CSc1nnc([C@H]2CCCN2C(=O)c2ccccc2C)n1CC | unichem_smiles | 41 |
CCc1noc(C)c1NC(=O)C(=O)NC1CCC(C)CC1C | unichem_smiles | 29 |
C/C=C\C=C/C(C)C#N.COC1C=c2nc(O)c(-c3cccs3)cc2=CC1Br | unichem_smiles | 43 |
O=C([O-])c1cccc([N+](=O)[O-])c1O[N+](=O)[O-].O=C([O-])c1cccc([N+](=O)[O-])c1O[N+](=O)[O-].[Cu+2] | unichem_smiles | 70 |
Cc1cc(C)cc(C[C@H](O)CCOC(C)C)c1 | unichem_smiles | 26 |
COc1ccc2cc1OCCCCN(C(=O)C1CCC1)CC(O)=NCCOc1ccc3c(c1)N=C(O)CC23 | unichem_smiles | 45 |
CC(=O)OCC1C2CCC(C)C1(C)CCC(C)=CCCC1(C)OC1C2=O | unichem_smiles | 34 |
CC(C)(C)OC(O)=NC(CCNC1(c2cccc(Br)c2)CCC2(CC1)OCCO2)Cc1cc(F)cc(F)c1 | unichem_smiles | 49 |
COC(=O)c1cc2ccccc2cc1OC(=O)COC(C)C | unichem_smiles | 26 |
Cc1cc(C)cc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3c4ccccc4cc4ccccc34)c2)c1 | unichem_smiles | 54 |
Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] | unichem_smiles | 36 |
CC(N=C(O)C1CC(c2ccccc2)=NO1)c1ccc2c(c1)OCO2 | unichem_smiles | 33 |
C=C(C)C(=O)OC(C)OCCOc1ccc(C(=O)c2ccc(C(C)(C)C)cc2O)cc1 | unichem_smiles | 45 |
CCCNCc1oc2ccccc2c1COC(C)COC | unichem_smiles | 18 |
CC(C)[C@@H](N=C(O)c1ccnc2ccc(-c3ccc(Cl)cc3)cc12)C(=O)N1CC(F)(F)C[C@H]1C#N | unichem_smiles | 56 |
CN=C(O)C1CCCN1C(O)=NC(C)Cc1ccc(O)cc1 | unichem_smiles | 28 |
O=C(O)Cc1ccccc1CS(=O)c1cccs1 | unichem_smiles | 22 |
OC(=NC(Cc1ccccc1)C1CC1)N1CCC(N2CC=CC2)C1 | unichem_smiles | 30 |
CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)C(O)C5O)cc(O)c4c3=O)C(O)C(O)[C@H]2OC(=O)/C=C\c2ccc(O)cc2)C(O)[C@@H](O)[C@H]1O | unichem_smiles | 122 |
CC(C)CCC(O)=Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 | unichem_smiles | 32 |
COCCCN1C(C=Cc2ccc(-n3cnc(C)c3)c(OC)c2)=NOC12CCOc1ccccc12 | unichem_smiles | 40 |
Cc1ccc(C[S@@](=O)CC(O)=N[C@@H](C)C(=O)N(C)C)cc1C | unichem_smiles | 39 |
CC(O)(CN1CCC(C(C)(C)C)C1)C(=O)O | unichem_smiles | 25 |
CCCN(Cc1ccc(C(=N)N)c(OC)c1)C1CC1 | unichem_smiles | 26 |
CC(=O)OC(C)=O.O=[N+]([O-])c1ccccc1.[Al+3].[Cl-].[Cl-].[Cl-] | unichem_smiles | 39 |
COC(=O)c1ccc(N=C(O)c2n[nH]c(-n3cnnc3)n2)cc1 | unichem_smiles | 36 |
O=C(c1cc(O)nc2ccccc12)N(Cc1ccco1)c1ccccn1 | unichem_smiles | 30 |
COC1CCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CC1 | unichem_smiles | 33 |
C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(CCCCN)CCCCN)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O | unichem_smiles | 177 |
NC(N=C(N=CC1=CC=CCC1)c1cccc(C2=CC=CCC2)c1)C1=CC(C2=CC3=C(CC2)OC2C=CC=CC32)=CC(c2ccc3oc4c(c3c2)CCC=C4)C1 | unichem_smiles | 78 |
Cc1ccc(F)c(C(=O)N(C)c2cc(C)ccc2C)c1 | unichem_smiles | 30 |
COC(=O)C(N=C(O)C=CSc1ccccc1)c1ccccc1 | unichem_smiles | 28 |
CCCCCCCCCCOC(CO)COCCCCCCCC | unichem_smiles | 10 |
CCCC(C(=N)S)C(O)=Nc1cc(F)cc(Cl)c1 | unichem_smiles | 26 |
NCc1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1 | unichem_smiles | 26 |
COCCCn1c(O)nnc1SCCN1C(=O)CCC1=O | unichem_smiles | 24 |
CCn1c(SCC(O)=NC[C@H]2Cc3ccccc3O2)nc2ccccc2c1=O | unichem_smiles | 35 |
N#Cc1cc(C=O)c2c(N)csc2c1 | unichem_smiles | 22 |
CCc1nc(CC(O)=Nc2cnn(CC(O)=NCCN(C)C)c2)cs1 | unichem_smiles | 32 |
[N-]=[N+]=NN(N=C(O)c1cccc2cc3ccccc3cc12)C(=O)c1cccc2c1ccc1ccccc12 | unichem_smiles | 44 |
Cc1c(CN2CCC3CCC(C2)N3)cccc1[N+](=O)[O-].Cl | unichem_smiles | 30 |
Cc1cc(Br)nc(-c2noc(CCOCC(F)F)n2)c1 | unichem_smiles | 27 |
Cc1cccc(C(O)=NC(C)c2cc(F)ccc2N2CCN(C)CC2)c1F | unichem_smiles | 34 |
c1ccc2c(c1)CCC[C@@H]2CN[C@H]1CN2CCC1CC2 | unichem_smiles | 29 |
CCn1c([S-])nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 | unichem_smiles | 31 |
CI=CNCNO | unichem_smiles | 5 |
CO[C@H]1O[C@H](COc2nc(C)cc(C)n2)[C@@H](O)[C@H](O)[C@H]1O | unichem_smiles | 45 |
C=C(C)C(=O)O[Si](Cl)(Cl)CCC | unichem_smiles | 20 |
C=CCn1cc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c2ccccc21 | unichem_smiles | 48 |
NCC(N)c1cccc(Cl)n1 | unichem_smiles | 13 |
CC(CCCO)NC(=O)c1ccc(N)cc1.Cl | unichem_smiles | 20 |
CC1C[C@H](C(O)=Nc2ccc(F)cc2F)[C@H](C(=O)O)C1 | unichem_smiles | 36 |
COc1ccc2c([C@H](C)C(=O)O)cccc2c1 | unichem_smiles | 24 |
CCN(CC)C(=O)COc1ccc(OC)c(N)c1 | unichem_smiles | 23 |
CNCCC(O)=N[C@H](C)c1cc(C(C)(C)C)ccc1C | unichem_smiles | 28 |
CC(C)Cc1ccc(C(O)=NC(Cc2ccc(-c3cn4cccc(Br)c4n3)cc2)CN2CCCN=C2O)cc1Cl | unichem_smiles | 48 |
CCOC(=O)c1c(N=C(O)NN=Cc2ccc(N(C)C)cc2)sc2c1CCC(C)C2 | unichem_smiles | 42 |
COC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(S)=NC1c1cccc(Cl)c1 | unichem_smiles | 39 |
CCCn1ncnc1OCc1c(-c2ccc(N3C[C@@H](CC(=O)O)CC(F)(F)C3)c(CC)n2)nnn1C | unichem_smiles | 50 |
Cc1ccc(C(=N)O)cc1NC(=O)C(=O)NCCCN1CCOCC1 | unichem_smiles | 32 |
COc1ccc(OCc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 | unichem_smiles | 44 |
COc1ccc2nc(N(/N=C/c3coc4ccccc4c3=O)C(=O)COc3ccc(Cl)cc3Cl)sc2c1 | unichem_smiles | 45 |
COc1ccc(Cl)cc1N=C(O)[C@@H](C)OC(=O)CCn1c(=O)oc2ccccc21 | unichem_smiles | 39 |
Cn1c2ccncc2c2sc3[n+](c21)Cc1cccnc1-3 | unichem_smiles | 28 |
CCOC(=O)C1=C(COC(=O)COc2ccc(CC)cc2)N=C(O)N[C@H]1c1ccc(OC)cc1 | unichem_smiles | 48 |
Cl.Cl.N=C(N)c1cccc2c1CC/C2=N\n1cc(-c2ccc(Cl)c(Cl)c2)[nH]c1=N | unichem_smiles | 47 |
CC(C)(C)C#N.[Al].[CH2]C.[CH2]C.[CH2]C | unichem_smiles | 26 |
CN(CC(=O)N1CCCC(C(=O)O)C1)C(=O)CCC(F)(F)F | unichem_smiles | 33 |
C=C(CO)CCC=CCOC1CCCCO1 | unichem_smiles | 14 |
C#CC(O)=N[C@@](C)(C(=O)O)C1CC1 | unichem_smiles | 24 |
Cc1cc(C)n(CC2CN(C(=O)c3ccc[nH]3)CCO2)n1 | unichem_smiles | 33 |
CCOc1ccc(N=C2C=CC(=C(c3ccc(N(CC)Cc4ccc(C)cc4)cc3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)O)c4)cc3C)C=C2)cc1.CCOc1ccc(N=C2C=CC(=C(c3ccc(N(CC)Cc4ccc(S(=O)(=O)O)cc4)cc3C)c3ccc(N(CC)Cc4cccc(C)c4)cc3C)C=C2)cc1.CCOc1ccc([NH+]=C2C=CC(=C(c3ccc([NH+](CC)Cc4cccc(C)c4)cc3C)c3ccc([NH+](CC)Cc4cccc(S(=O)(=O)O)c4)cc3C)C=C2)cc1 | unichem_smiles | 233 |
COC1C(c2csc(CN)c2)C(F)C(C)C2C(O)=NC(=O)N(C3CC3)C12 | unichem_smiles | 43 |
CCOC(=O)C1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCC1 | unichem_smiles | 39 |
CC(C)CC(O)C1=C(C(C)C)NC(NCCc2cccnc2)C2NN=C(O)N12 | unichem_smiles | 39 |
Cc1cccc(C)c1-c1ccc(C2=C=C[C-](C)N2C)nc1.Cc1cccc(C)c1-c1ccc(C2=C=C[C-](C)N2C)nc1.[Pt+2] | unichem_smiles | 70 |
OC(=NNc1ccnc(F)c1)c1cccnc1Sc1ccccc1 | unichem_smiles | 24 |
Cc1ccccc1S(=O)(=O)N1CCN(CCOc2ccc(F)cc2)CC1 | unichem_smiles | 32 |
Fc1ccccc1-c1csc(=NCC2CCCO2)n1/N=C/c1ccccn1 | unichem_smiles | 31 |
CC.CCCCCN(C)C(=O)CCCCCCCN(C)C(C)C.CCCCCN(C)C(=O)CCCCCCN(C)C(C)C | unichem_smiles | 45 |
c1ccc(-c2ccc(Cn3ccnc3)cc2-c2cc3ccccc3o2)cc1 | unichem_smiles | 30 |
CCCCN(C)[C@H](C)C(=O)N1CCCCC1 | unichem_smiles | 21 |
CC(O)=NCc1ccc(-c2csc(N=C(O)[C@@H](C)Sc3ccccc3)n2)s1 | unichem_smiles | 37 |
Cc1ncc(CN(C)C(=O)c2csc(Cc3ccccc3F)n2)s1 | unichem_smiles | 33 |
Cc1ccc(CON=Cc2cccc([N+](=O)[O-])c2)cc1 | unichem_smiles | 26 |
CC(C)(C)OC(=O)N(C1=C(C=CC2=[N+](CCCC[S-](=O)=O)c3ccc(C#N)cc3C2(C)C)CCCC1=CC=C1N(CCCCS(=O)(=O)[O-])c2ccc(C#N)cc2C1(C)C)C1CCCCC1.Cc1ccc(S(=O)(=O)OC2=C(C=CC3=[N+](CCC(=O)O)c4ccccc4C3(C)C)CCC2=CC=C2N(CCC(=O)[O-])c3ccccc3C2(C)C)cc1.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CCC(C=CC3=[N+](CCCCS(=O)(=O)O)c4ccc(C)cc4C3(C)C)=C1Cl)N2CCCCS(=O)(... | unichem_smiles | 256 |
O=C(O)C1=N[C@@H]2CCC[C@@H]2O1 | unichem_smiles | 25 |
Brc1cc2c(s1)sc1c2ccc2c3cc(Br)sc3sc21 | unichem_smiles | 26 |
COCC1N=C(O)CCC=CC2OC34C=CCN(C(C)(C)CC(C)(C)C)C(=O)C3N(C(CO)Cc3ccccc3)C(=O)C4C2C(=O)OC1c1ccccc1 | unichem_smiles | 75 |
CC(C)COc1ccc(C(C)NC(=O)C(O)=Nc2ccc(CC#N)cc2)cc1 | unichem_smiles | 36 |
COc1ccc2nc(/C(C#N)=C/c3ccc(C)o3)[nH]c2c1 | unichem_smiles | 31 |
N#CCCC(NC(=O)c1ccc(Cl)cc1)(C(=O)[O-])C(=O)[O-].O.O.[Na+].[Na+] | unichem_smiles | 44 |
CC(C)N1CCO[C@@H](CC(O)=NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)C1 | unichem_smiles | 46 |
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)COP(=O)(O)OCCN | unichem_smiles | 63 |
CCS(=O)(=O)N(Cc1ccccc1)c1ccc(O)c(C(=O)O)c1 | unichem_smiles | 35 |
CC(C)(C)c1ccc(C(=O)NCC(O)=N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)cc1 | unichem_smiles | 49 |
CCCCCCCOc1ccc(-c2cnc(OCCCCCCCCCCC[Si](C)(C)C[Si](C)(C)C[Si](C)(C)C)nc2)cc1 | unichem_smiles | 46 |
C=c1cc(C2CCN(C3CCN(C(=O)OC)CC3)CC2)cc2[nH]c(=C3C(=O)N=CC=C3NCCn3cc(Cl)cn3)nc12 | unichem_smiles | 64 |
COc1c(Cl)cc(/C(O)=C2\C(=O)C(=O)N(c3ccc4c(c3)OCO4)C2c2ccc(OC(C)C)cc2)c(OC)c1Cl | unichem_smiles | 63 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.