text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
CCCCC(C=Cc1ccc(OC)cc1)CO.O=C(O)c1ccccc1 | unichem_smiles | 28 |
N#C[C@@H]1CCCN1C(=O)CN[C@@H](CC1(c2nn[nH]n2)c2ccc(C(N)=O)cc2CCc2cc(C(N)=O)ccc21)C1CCCCC1 | unichem_smiles | 67 |
CCC1CCCC(C(=O)N=[N+]=[N-])C1N=C(O)c1ccccc1 | unichem_smiles | 31 |
CCC(NC1CCN(C2CC2)C1)c1ccc(Br)cc1 | unichem_smiles | 23 |
CC1(O)CCCN(C(O)=NCC2(C)CC2)CC1 | unichem_smiles | 23 |
C=C1c2cc(F)cc(F)c2-c2n(-c3c(C)cccc3C)cc[n+]21 | unichem_smiles | 37 |
CCCCc1cccc(C(=O)CC(=O)c2ccc(OC)cc2)c1 | unichem_smiles | 26 |
CCN(C[C@H]1CCCO1)C(=O)c1cnn(-c2cccc(Cl)c2)c1C | unichem_smiles | 36 |
CCN(C(=O)[C@@H]1CCC[C@@H]1CN)C1CC1.Cl | unichem_smiles | 28 |
COc1cc(C(=O)N2CCCC(c3nncn3C3CC3)C2)ccc1Cl | unichem_smiles | 31 |
Cc1ccc(F)c(N=C(O)c2c[nH]c3ccccc23)c1F | unichem_smiles | 31 |
COCCN(CC(F)F)CC1CCN(C(=O)OC(C)(C)C)CC1 | unichem_smiles | 30 |
C#Cc1ccncc1-c1cccc(F)c1 | unichem_smiles | 18 |
CCOC(=O)C(C)(N)CCSCc1ccco1 | unichem_smiles | 19 |
CS(=O)(=O)N1CCCC2C(=O)N3CCc4cc5c(cc4C3CC21)OCO5 | unichem_smiles | 36 |
Cc1ccccc1OCCN=C(O)N1CCN(c2cccc(O)c2)CC1 | unichem_smiles | 30 |
CCCc1csc(N=C(O)C2(C)CC2(Cl)Cl)n1 | unichem_smiles | 26 |
CC[C@@H](C)[C@H](N=C(O)CN=C(O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(O)=NCCCC(=O)O | unichem_smiles | 65 |
CNCc1cc2c(cc1OCc1cccc(F)c1)OCO2 | unichem_smiles | 23 |
CSCC(C)NC(O)=NCc1ccc(OC(F)F)cc1 | unichem_smiles | 22 |
CC1=CC2=N[C@H](SCC(=O)Nc3ccc(F)cc3)N(CCC(C)C)C(=O)C2=N1 | unichem_smiles | 46 |
CC1(C)OC(C)(C)c2c(Cl)nc(Cl)nc21 | unichem_smiles | 23 |
COC(=O)c1ccc(NC(=O)C[NH2+]CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 | unichem_smiles | 49 |
COC(=O)[C@H]1CNC[C@@H]1c1cccs1 | unichem_smiles | 24 |
COc1ccc(N(CC(O)=Nc2ccccc2)S(C)(=O)=O)c(OC)c1 | unichem_smiles | 33 |
CCC(C)O[Si](OC(C)CC)(c1ccc(C)cc1)c1ccc(C)cc1 | unichem_smiles | 31 |
Cc1cc(C)c(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1C | unichem_smiles | 35 |
O=S(=O)(O)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 | unichem_smiles | 33 |
CCCc1c([C@@H](C)N)oc2c1ccc1ccccc12 | unichem_smiles | 22 |
Cc1cnc(C(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2ccncc2)C3)cn1 | unichem_smiles | 45 |
CCOC(=O)CCC(N)c1ccc(F)cc1F | unichem_smiles | 19 |
CCN(CC)c1ccc(C(=O)c2ccc(O)cc2)cc1 | unichem_smiles | 25 |
C[C@H]1CCC[C@@H](C(C)(C)C[C@H](C)N)C1 | unichem_smiles | 31 |
COc1cccc(C(N)CN(C)Cc2ccccc2F)c1 | unichem_smiles | 23 |
COC(=O)C[C@@H](NC(O)=NCCCNc1ccccc1)c1cccs1 | unichem_smiles | 30 |
CC1CCC(C(=O)Oc2cc3c(c(F)c2F)OC(C)CC3)CC1.CC1CCC(C2CCC(CCc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(CCc2cc3c(c(F)c2F)OC(C)CC3)CC1.CC1CCC(CCc2cc3c(c(F)c2F)OC(C)CC3)CC1.[HH].[HH].[HH].[H... | unichem_smiles | 258 |
Cc1cc(=O)n(CCCC#N)cc1-c1ccccc1 | unichem_smiles | 22 |
CCCCN=C(O)N=C(O)[C@H](C)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 | unichem_smiles | 51 |
OC(C[C@@H]1C[C@H]1c1ccccc1)=Nc1cc2c3c(c(-c4cccnc4)[nH]c3c1)C=NN=C2O | unichem_smiles | 54 |
C=CCCCOC1OC(COCc2ccccc2)C(O)C(OCc2ccccc2)C1OC(=O)c1ccccc1 | unichem_smiles | 40 |
CC1=C/C(=C/c2cc(C)c(-c3ccc(C=O)s3)[nH]2)N=C1c1cccs1 | unichem_smiles | 43 |
O=C(Oc1ccc2ccc(=O)oc2c1)c1cc(O)nc2ccccc12 | unichem_smiles | 30 |
CC(=O)Oc1cccc(C2/C(=C(\O)c3ccc(Cl)c(Cl)c3)C(=O)C(=O)N2c2cccc(Cl)c2C)c1 | unichem_smiles | 57 |
OC(=Nc1ccncn1)C1(c2ccc(-c3ccc4[nH]ccc4c3)cc2)CCC1 | unichem_smiles | 36 |
CC(C)(C)N(Cc1ccccc1)C(S)=Nc1ccc(Cl)c([N+](=O)[O-])c1 | unichem_smiles | 39 |
CCO[C@@H]1C[C@H](NC(O)=NC[C@@H]2CCC[C@@H](O)C2)C12CCOCC2 | unichem_smiles | 42 |
CN1CCC2(CC1)CCN(Cc1nnnn1C(C)(C)C)C2 | unichem_smiles | 27 |
CC(C)[C@H](N=C(O)c1cc(Cl)ccc1Cl)c1nc(C2CC2)no1 | unichem_smiles | 35 |
COc1ccccc1CN=C(O)[C@H](N=C(O)[C@H]1CC[C@@H](C)CC1)C(C)C | unichem_smiles | 43 |
CCC(N=C(O)/C(C#N)=C/c1csc(C2CC2)n1)c1ccccc1 | unichem_smiles | 34 |
CC(O)=Nc1ccc(NC(=O)CN2CC(c3nc(-c4c[nH+]ccn4)no3)C2)cc1 | unichem_smiles | 42 |
CCOC(c1ccccc1)C(NC)c1cnccn1 | unichem_smiles | 19 |
CC(C)c1cc(N=C(O)COC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)on1 | unichem_smiles | 46 |
OC(CCn1ncc2cc(Cl)ccc21)=NCc1cccs1 | unichem_smiles | 21 |
CCON=C(O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C | unichem_smiles | 28 |
COc1cc(Cl)c(-c2nnc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)o2)cc1Cl | unichem_smiles | 43 |
CCN=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)N=C(O)[C@@H](Cc1ccc2ccccc2c1)N=C(O)[C@H](Cc1ccc(OC(=O)OCc2ccccc2Br)cc1)N=C(O)[C@H](COCc1ccccc1)N=C(O)[C@@H](Cc1ccc2ccccc2c1)N=C(C)O | unichem_smiles | 128 |
CC(C)c1cc2c(-c3nc4ccncc4[nH]3)ccc(OC(F)F)c2o1.COc1ccc(C(=O)N=c2cc[nH]cc2)c2cccnc12.COc1ccc(C(CCO)N2C(=O)c3ccccc3C2=O)cc1OC.COc1ccc(C2C=NN=C(O)C2)cc1OC1CCCC1.COc1ccc(S(=O)(=O)N(Cc2ccccc2)S(C)(=O)=O)c2cccnc12.Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](N=C(O)c1cc(Cl)c(N)c(Cl)c1)C(=O)N3CC2 | unichem_smiles | 216 |
CC(C)CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)SC1=S | unichem_smiles | 40 |
CCOC(=O)C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C | unichem_smiles | 43 |
Cc1cc(C[C@H]2COc3c(-c4cn(C)nc4C(F)(F)F)cc(Cn4ccnc4C)cc3[C@H]2O)nc(N2CCN(C(=O)OC(C)(C)C)CC2)n1 | unichem_smiles | 78 |
CSc1nccc(-c2ccc(CN3CCC(N(C)C)CC3)cc2)n1 | unichem_smiles | 28 |
CCOc1ccccc1CCC(=O)Oc1ccc([N-]S(C)(=O)=O)cc1 | unichem_smiles | 31 |
FCCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2ccncc23)c(F)c1 | unichem_smiles | 45 |
N=C(O)C1COCCN1C(=O)c1ccc(OC(F)F)cc1 | unichem_smiles | 29 |
COC(=O)c1nc(N=C(O)C2CC(c3cccnc3)NN2)sc1C | unichem_smiles | 32 |
CC(C)c1ccccc1C(C(=O)Br)(C(C)C)C(C)C | unichem_smiles | 29 |
COc1ccc(OCC=CCCN2C(=O)c3ccccc3C2=O)c(-c2ccc(OCc3ccccc3)cc2)c1N=C(O)C(F)(F)F | unichem_smiles | 57 |
CCOC(=O)[C@H](C)n1cc(C=Nn2c(C3CCCCC3)nc3ccc(Br)cc3c2=O)c2ccccc21 | unichem_smiles | 47 |
CCCCCCCCCCCCCCCC(O)=N[C@@H](COP(=O)(O)O)[C@H](O)CCCCCCCCCCCCCCC | unichem_smiles | 32 |
C1CCOC1.Cc1ccnc(O)n1 | unichem_smiles | 16 |
CN(Cc1ccc(Cl)nc1)C(=O)C=Cc1cncc(F)c1 | unichem_smiles | 29 |
CC1C(=O)N(CCCCl)c2ccccc21 | unichem_smiles | 17 |
CC1CNC2C(C)C3C(CC4C5CCC6CC(N=Cc7ccccc7O)CCC6(C)C5CCC43C)OC2(O)C1 | unichem_smiles | 49 |
Cc1cccc(C=C(C#N)c2nc(-c3ccncc3)cs2)c1 | unichem_smiles | 29 |
Cc1ccc(C(O)=NNc2ccc(Cl)nn2)c(Sc2ccccc2)n1 | unichem_smiles | 29 |
CNC[C@@H](O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)c1cccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)c1 | unichem_smiles | 91 |
O=C(O)c1c(C2C=CC(F)=CC2F)nc2occn12 | unichem_smiles | 27 |
Cc1noc(C)c1C(C)CC(O)=Nc1cc(Cl)ccc1Br | unichem_smiles | 28 |
CC(O)=NCC1CN(C(O)=NC2CCCc3cc(F)ccc32)CCO1 | unichem_smiles | 28 |
Cc1c(NC(C)C)cncc1-c1cc(N)c2cnc(N=C(O)[C@@H]3CC3C#N)cc2c1 | unichem_smiles | 47 |
CC(C)(N)C(CC(=O)O)c1ccccc1F | unichem_smiles | 21 |
CCC(CC)NCc1ccc(CN)cc1 | unichem_smiles | 13 |
CCCCCCCCCCCCOc1ccc(C#Cc2c3cc4ccccc4cc3c(C#Cc3ccc(OCCCCCCCCCCCC)cc3)c3cc4ccccc4cc23)cc1 | unichem_smiles | 51 |
O=C([O-])NNC1CC1 | unichem_smiles | 12 |
COc1cccc(CC(=O)N2CCN(Cc3nc(-c4cccc(OC)c4OC)oc3C)CC2)c1 | unichem_smiles | 39 |
COC(=O)CC1C2=C(O)C(O)C1C(C(=O)O)C2(C)C(=O)O | unichem_smiles | 41 |
Cc1nc(C(C)C)nc(O)c1C(O)=NC(C)C(C)CO | unichem_smiles | 30 |
Cc1cccc(C)c1/N=C1\S/C(=C/c2ccccc2)C(=O)N1c1ccccc1 | unichem_smiles | 40 |
CC(C)C(N)C(O)=NC(CC(=N)O)C(O)=NC(CCC(=O)O)C(O)=NC(Cc1c[nH]c2ccccc12)C(=O)O | unichem_smiles | 60 |
N#CCCCOC(=O)c1ccc([N+](=O)[O-])c(F)c1 | unichem_smiles | 27 |
C.C.C.C.CCCNC.CCCNC.CN.[HH] | unichem_smiles | 18 |
C[C@H](N=C(O)/C(C#N)=C/c1cnc(N2CCOCC2)nc1)c1ccccc1 | unichem_smiles | 40 |
CCCCC(CC(=N)CC1CCNCC1)CC(F)(F)F | unichem_smiles | 22 |
OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@H](CO)[C@H]3O)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | unichem_smiles | 126 |
CCCCCCCCCCN1CCC2NCCCC2C1 | unichem_smiles | 12 |
CCCCCCC(C)OC(O)=NC(C)c1cccc2ccccc12 | unichem_smiles | 20 |
CC(C)(C)CC(CO)N=C(O)c1ccccc1SCC(=O)N1CCCC1 | unichem_smiles | 31 |
COc1ccc2c3c1OC(CCC2)C[C@@H](OC(=O)C1CC1)/C=C\3 | unichem_smiles | 35 |
Cc1c(C(=O)N2CCN(CCN3C(C)CCC3C)CC2)c(=O)oc2ccccc12 | unichem_smiles | 39 |
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