text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
COCCCNCc1cc(C)n(CC(C)C)c1C | unichem_smiles | 20 |
CC(C)N1CCN(c2cccc(Br)c2CN)CC1 | unichem_smiles | 21 |
NNC(c1ccoc1Cl)c1sccc1Br | unichem_smiles | 16 |
CCCCOC(=O)c1ccccc1NC(O)=NCOc1ccc(C)c(C)c1 | unichem_smiles | 29 |
C[C@H]1Cc2cc(C(=O)N3CCC[C@](C)(O)C3)ccc2N1S(C)(=O)=O | unichem_smiles | 43 |
CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C)c3)C2c2cccc(OC)c2OC)c1 | unichem_smiles | 43 |
CCC1=NN(C)C(C)CC=C1 | unichem_smiles | 15 |
O=C(O)c1cccc(S(=O)Cc2cc(Br)cs2)c1 | unichem_smiles | 27 |
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C | unichem_smiles | 85 |
COc1ccccc1CN(C)C(=O)c1n[nH]c2ccc(C)cc12 | unichem_smiles | 30 |
c1ccc(-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)cc2)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1 | unichem_smiles | 64 |
O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCc2ccc(Cl)cc2C1 | unichem_smiles | 37 |
[N-]=[N+]=NCCc1ccnc(N2CCOCC2)c1 | unichem_smiles | 24 |
CN1CCc2cc(Nc3ccc(O[Si](C)(C)C(C)(C)C)cc3)ccc21 | unichem_smiles | 33 |
Cc1cc(C(F)(F)F)n(-c2ccc(/C=C(/C#N)c3cccc(F)c3F)cc2)n1 | unichem_smiles | 42 |
COc1ccc(S(=O)CC(O)=NC(C)c2cccs2)cc1 | unichem_smiles | 26 |
CC(=O)c1ccc(NC(=O)CSc2nccc(N3CCC(Cc4ccccc4)CC3)n2)cc1 | unichem_smiles | 39 |
CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCC3(CCCCO3)C2C#N)c1 | unichem_smiles | 39 |
Cc1ccc(C2(c3ccc(-c4c[nH]nc4C)cc3)CCNCC2)cc1 | unichem_smiles | 33 |
CC1(C)c2ccccc2-c2cc(-c3cc(-c4cc(-c5nccc6ccccc56)cc(-c5nccc6ccccc56)c4)cc(-c4ccc5c(c4)-c4ccccc4C5(C)C)n3)ccc21 | unichem_smiles | 74 |
Cc1ccc(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)o1 | unichem_smiles | 32 |
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(CBr)CC1 | unichem_smiles | 33 |
C#CC(CCC)N=C(O)N[C@H](CCC(=O)OC)C(=O)O | unichem_smiles | 31 |
C[C@H](C[C@H]1CCCO1)N=C(O)N1CCC(c2ccnn2CCO)CC1 | unichem_smiles | 37 |
CCCC1CCC(C2CCC(C34CCC(OCC)(CC3)C(F)(F)C4(F)F)CC2)CC1 | unichem_smiles | 36 |
[N-]=NC1=CC(Br)=CC(=[Br+])C1=[OH+] | unichem_smiles | 23 |
COc1ccc2c(CC(O)=NC[C@H]3CN(C(O)=Nc4ccccc4)[C@H]4CCN3C4)coc2c1 | unichem_smiles | 46 |
CC(C)Nc1ccc(C#N)cc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1Cc1ccccc1 | unichem_smiles | 51 |
CCCOC1(CNC(O)=NCCc2nccn2Cc2ccccc2)CCCCC1 | unichem_smiles | 27 |
CCc1ncc(N=c2[nH]c(N[C@H](C3CCC3)[C@H](C)N=C(O)/C=C/C(C)(C)C)c(F)cc2C(=N)O)cc1F | unichem_smiles | 67 |
CCN=C(O)[C@H]1O[C@@H](n2cnc3c(N[C@@H](CC)Cc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | unichem_smiles | 56 |
COc1cc(OC(C#N)C(N(C)C)N(C)C)c(C(C)C)nc1C | unichem_smiles | 36 |
COC[C@@H](C)N=C(O)CN1C(=O)[C@@](C)(c2ccc(OC)cc2)N=C1O | unichem_smiles | 41 |
O=S(=O)(c1ccccc1)N(c1ccccc1)c1ccc2c(c1)COB2O | unichem_smiles | 34 |
COc1cccc(C(=N)n2cncn2)c1NNN=C(C)O | unichem_smiles | 27 |
CC(N)C(OC1CCCCC1C)c1cccc(Br)c1 | unichem_smiles | 21 |
C[C@@H](O)C[NH+](Cc1ccc2c(c1)OCO2)Cc1cccn1Cc1ccc(Cl)c(Cl)c1 | unichem_smiles | 46 |
CC(C)[C@H](C(O)=NC[C@H]1CCCN1C)N1CCCS1(=O)=O | unichem_smiles | 34 |
C=CC(=O)OCC1C(=O)OC2CCCC21 | unichem_smiles | 19 |
CCNCc1ccoc1COc1ccc(C(C)C)cc1 | unichem_smiles | 20 |
COc1ccc2c(OCc3nnc4ccc(-c5c#cnc(F)c5)nn34)ccnc2c1 | unichem_smiles | 35 |
O=C1[C@H]2[C@H](CC=C3[C@H](C4=COc5ccc(O)cc5C4)[C@]4(c5ccccc5)C(=O)N(c5cccc(Cl)c5)C(=O)[C@@H]4C[C@H]32)C(=O)N1c1cccc(B(O)O)c1 | unichem_smiles | 103 |
Cc1cc(C)[n+](-c2ccc(Oc3ccc(-[n+]4c(C)cc(C)cc4C)cc3)cc2)c(C)c1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-] | unichem_smiles | 90 |
CCSN=C(O)c1nc(CN(CCCc2cccc(F)c2)C(=O)Cc2ccc(O)cc2)sc1C | unichem_smiles | 41 |
C[C@H](C(=O)O)S(=O)(=O)NCCN1CCN(C)CC1 | unichem_smiles | 32 |
OC(Cc1cncs1)c1cc(I)ccc1Br | unichem_smiles | 18 |
CCCCCCCCCCCCCCCCCc1nc2cn(CCCCCC)cc2s1 | unichem_smiles | 18 |
CC(=O)[O-].CCCC=O.CCN.CCc1cc(CC)c(C(C)C)[n+](CC)c1 | unichem_smiles | 37 |
CCSc1ccc(C(=CC2CCCC2)C(O)=Nc2nccs2)cn1 | unichem_smiles | 27 |
O=C1OCC(c2ccc(Cl)cc2)N1c1cccc(Cl)c1 | unichem_smiles | 26 |
COc1ccc(/C=N/N=C(O)C2CC(c3ccc(OCCc4ccccc4)cc3)NN2)cc1OC | unichem_smiles | 40 |
O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(-c2ccccn2)nc1O | unichem_smiles | 37 |
CC1=CCCN(C(O)=N[C@@H]2Cc3ccccc3[C@H]2N)C1 | unichem_smiles | 33 |
N=C(O)CCc1nn(CN2CCC(N=C(O)c3ccccc3)CC2)c(=S)n1CC1CCCO1 | unichem_smiles | 42 |
CCN=C(NCC(C)Oc1ccccc1F)N1CCC(O)CC1 | unichem_smiles | 26 |
Cc1cccc(C(O)=Nc2ccc3c(c2)C2C=CCC2C(c2cccc([N+](=O)[O-])c2)N3)c1 | unichem_smiles | 48 |
FC(F)(F)COc1ccc(C2CCCN3CCSN=C23)cc1 | unichem_smiles | 24 |
CC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1n1ccnc1 | unichem_smiles | 36 |
COc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1.O=C(O)C(=O)O | unichem_smiles | 42 |
Cc1csc(C(=O)c2cc(C)ns2)c1 | unichem_smiles | 22 |
Cc1cccc(N(C)C)c1CN.Cl.Cl | unichem_smiles | 18 |
CCC(=O)CCCCC[C@H](N=C(O)CCc1c[nH]c2ccccc12)C(O)=NCc1csc(-c2ccccc2)n1 | unichem_smiles | 50 |
Cc1ccc([N+](=O)[O-])c(Sc2ccc(O)cc2)c1 | unichem_smiles | 27 |
CN(C)c1cc(C(O)=NCC2(C(=O)O)CCCC2)ccn1 | unichem_smiles | 29 |
CN(C)CCN=C(O)NCC(c1ccco1)N(C)C | unichem_smiles | 25 |
CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c([O-])nc(S)nc2c1 | unichem_smiles | 35 |
COCC#Cc1ccc2c(c1)O[C@@H](CN(C)S(=O)(=O)c1ccc(OC)cc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O | unichem_smiles | 63 |
CCC(N)O[N+](=O)[O-] | unichem_smiles | 15 |
c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4oc5ccc(-c6ccc7ccccc7c6)cc5c4c3)c3ccccc23)cc1 | unichem_smiles | 52 |
N=C(O)C1=C(N)NC(S)=NC1c1ccc(I)c(O)c1 | unichem_smiles | 31 |
N#CC(c1ccccc1[N+](=O)[O-])N(Br)c1ccccc1 | unichem_smiles | 28 |
CCC1C(O)=NCCN1C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 | unichem_smiles | 38 |
CCOc1ccc(-c2c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)[nH]c3ccc(Cl)cc23)cc1 | unichem_smiles | 58 |
CCCCCCC#CC(O)C(C)=Cc1ccccc1 | unichem_smiles | 17 |
C.O=c1c(N2CC3(COC3)C2)nc(CCCO)cn1-c1ccc(F)cc1 | unichem_smiles | 36 |
CC(=O)c1ccc2c(c1)ncn2-c1cccc(Br)c1.CC(C)(O)c1ccc2c(c1)ncn2-c1cccc(Br)c1.[CH3-].[I-].[Mg+2] | unichem_smiles | 66 |
CC(C)N(Cc1ccc(C(=N)NO)cc1Cl)CC1CC1 | unichem_smiles | 26 |
CCOC(=O)Cc1cc(CBr)c(C#N)cc1C | unichem_smiles | 23 |
CN[Si](C)(C)C1=c2ccccc2=CC1C | unichem_smiles | 20 |
CC(CC1CC12CCN(C(=O)OC(C)(C)C)CC2)OS(C)(=O)=O | unichem_smiles | 33 |
CC(O)Cc1cc(F)c(-c2cc(C(=N)O)c(Nc3cccc(C4(C#N)CC4)n3)s2)c(F)c1 | unichem_smiles | 53 |
CC(=O)c1c(C)[nH]c(C(=O)OC(C)c2nc3ccccc3o2)c1C | unichem_smiles | 38 |
CCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 | unichem_smiles | 48 |
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCSN2 | unichem_smiles | 26 |
CC(C)(CO)CNCc1c(C(O)=NC2CCCC(O)C2)noc1-c1ccc(C(F)(F)F)c(F)c1 | unichem_smiles | 47 |
Cc1cc(C)c(C23CC2CN(C)C3)cc1Cl | unichem_smiles | 23 |
Br.C.C.CC(=N[S@@](=O)C(C)(C)C)c1cc(F)cc(Br)c1C.CC(=O)c1cc(F)cc(Br)c1C.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(C)[S@@](N)=O.CNOC.CON(C)C(=O)c1cc(F)cc(Br)c1C.Cc1c(Br)cc(F)cc1C(=O)[O-].Cc1c(Br)cc(F)cc1C(C)C.Cc1c(Br)cc(F)cc1[C@@H](C)N.Cc1c(Br)cc(F)cc1[C@@H](C)N[S@@](=O)C(C)(C)C.Cc1c(C#N)cc(F)cc1C(C)C.Cc1c(C#N)cc(F)cc1[C@@H](C)... | unichem_smiles | 286 |
OC(CCn1ccnn1)=Nc1nc(-c2ccc3c(c2)CCC3)cs1 | unichem_smiles | 28 |
CC[C@@H]1CCCCN1CCC(=O)Nc1ccc(N2CCOCC2)cc1 | unichem_smiles | 29 |
CCN(CC)C(=O)C1=CC=C([C@@H](c2cccc([N+](=O)[O-])c2)N2CCNCC2)CC1 | unichem_smiles | 46 |
Cc1nc(-c2ccc(OC3CCCCC3)cc2)cc(N)c1C(=O)C[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)C[C@@H](C)C(O)=N[C@H](C(=O)CCC#N)Cc2ccc(OCCCN)c(c2)-c2cc1ccc2OCCCN.S | unichem_smiles | 109 |
Clc1ccc(CN2CCC(NCc3ccccn3)CC2)cc1Cl | unichem_smiles | 22 |
CCO.FC1CC1 | unichem_smiles | 7 |
Cc1nc(O)c(C#N)cc1-c1cccc(OCC(O)CN2CCN(c3ccccc3)CC2)c1 | unichem_smiles | 41 |
CCN=C(NCC(c1ccccc1)N(CC)CC)N1CCC(CC(O)=NC)CC1.I | unichem_smiles | 34 |
Cc1ccc(N=C(O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1N1CCCCC1=O | unichem_smiles | 40 |
CSCCC(N)C(=O)N1CCC(OCC(C)C)C1 | unichem_smiles | 23 |
CCC(CCC(O)=NCc1ccccc1OC)Sc1ccc(O)cc1 | unichem_smiles | 22 |
CCCc1ccc(OCC(O)=N/N=C\c2cc(Br)c(OCC)c(OC)c2)c(Br)c1 | unichem_smiles | 40 |
CCOc1ccc2oc(-c3ccc(C)cc3)c/c(=N\c3sc4c(c3C(=O)OC)CCCC4)c2c1 | unichem_smiles | 46 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.