text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
C#Cc1cc(F)c(N=C(O)N2CCCN(C(=O)C3CC3)CC2)c(F)c1 | unichem_smiles | 41 |
CC(C)NC(=N)NCC1(C)CCCC1 | unichem_smiles | 17 |
CSCCNc1cc(F)c(F)cc1N | unichem_smiles | 16 |
CC12C3CC4C5CC6C7C1CC1CC8C3C17C65C842 | unichem_smiles | 26 |
CCCC[C@@H](C[N+](=O)[O-])[C@@H](C=O)Cc1ccccc1 | unichem_smiles | 32 |
NS(=O)(=O)c1ccc(CCN=C(O)C2CCN(C3CCCCC3)C2)cc1 | unichem_smiles | 35 |
CC(=O)c1cc([C@@H]2CCCNC2)c(F)c(F)c1F | unichem_smiles | 29 |
NCC(Cc1ccccc1)Nc1ncccn1 | unichem_smiles | 17 |
C=C[C@@H]1C[C@]1(CC(=O)C1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)CC(=O)OCC(C)(C)CCCc1ccc3c(CC)cnc(c3c1)O2)C(O)=NS(=O)(=O)C1CC1.C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)CC(=O)OCCCCCc1cc(S(C)(=O)=O)c3ccnc(c3c1)O2)C(O)=NS(=O)(=O)C1CC1.C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)CC(=O)OCCCCCc1cc... | unichem_smiles | 391 |
COc1ccc(F)cc1[C@@H](C)N[C@@H](C(=N)O)c1ccc(F)cc1 | unichem_smiles | 37 |
Cc1ccc(N2C[C@H](C(O)=Nc3ccc(C)c(Cl)c3)CC2=O)cc1 | unichem_smiles | 38 |
COc1cc(C=C2SC(=O)N(Cc3ccccc3Cl)C2=O)cc(Br)c1O | unichem_smiles | 36 |
O=C(OCc1ccc([N+](=O)[O-])c(F)c1)N1CCNCC1 | unichem_smiles | 31 |
CCCCN=C(O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(CC)cc1 | unichem_smiles | 42 |
C.C.CC1(C)c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.CC1(C)c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8... | unichem_smiles | 463 |
c1ccc2c(c1)Cc1c-2ccc2c1c1cccnc1n1c3ncccc3nc21.c1ccc2c(c1)Cc1c-2ccc2c3cccnc3n3c4ncccc4nc3c12.c1ccc2c(c1)Cc1cc3c(cc1-2)c1cccnc1n1c2ncccc2nc31.c1ccc2c(c1)Cc1cc3c4cccnc4n4c5ncccc5nc4c3cc1-2.c1ccc2c(c1)Cc1ccc3c(c1-2)c1cccnc1n1c2ncccc2nc31.c1ccc2c(c1)Cc1ccc3c4cccnc4n4c5ncccc5nc4c3c1-2 | unichem_smiles | 209 |
[N-]=[N+]=Nc1ccc2c(c1)OC(F)CO2 | unichem_smiles | 24 |
Cc1ccoc1C(O)c1ccc2c(c1)OCCCO2 | unichem_smiles | 23 |
Cn1nc(C(F)(F)F)cc1N1CC(c2cncs2)=Cc2ccccc21 | unichem_smiles | 31 |
CNCc1cc[s+](CN=C(O)c2ccco2)c1 | unichem_smiles | 23 |
CC(C)(CCN=C(O)OCC1c2ccccc2-c2ccccc21)CCC(=O)N(CCO)CC(=O)O | unichem_smiles | 42 |
OC(CCSCCC(O)=Nc1cc(C(F)(F)F)cnc1O)=Nc1cc(C(F)(F)F)cnc1O | unichem_smiles | 43 |
ClCC(Cl)=C(Cl)Cc1cc(Cl)c(Cl)cc1Cl | unichem_smiles | 23 |
COCC(C)CN=C(O)NCc1c(O)ccc2c1CCCC2 | unichem_smiles | 24 |
CCCc1ncncc1-c1nc(C2CC2)nn1CCC | unichem_smiles | 20 |
CC(C)c1nc(C[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)cs1 | unichem_smiles | 36 |
COc1cccc(C(=O)CN2CC(C)C(N(C)C)C2)c1 | unichem_smiles | 29 |
O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCN(c2ccccc2O)CC1 | unichem_smiles | 42 |
N#C[S-].[S-]c1cccc2cccnc12.[S-]c1cccc2cccnc12.[Sb+3] | unichem_smiles | 33 |
COC1(C(O)=NCc2cccc(C(F)(F)F)n2)CCOCC1 | unichem_smiles | 28 |
C1CSOC(c2nn[nH]n2)C1 | unichem_smiles | 17 |
CCCCCN=C(NN)Sc1ccccc1 | unichem_smiles | 12 |
Cc1cccc(C(F)(F)F)c1-c1ccc(F)c(C)c1F | unichem_smiles | 29 |
CCN(Cc1cccs1)C(=O)C(=O)Nc1c(C)ccn(C)c1=O | unichem_smiles | 36 |
O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCC(Cc2ccc(F)cc2)C1 | unichem_smiles | 38 |
OC(CC1CCCOC1)=Nc1ccc2scnc2c1 | unichem_smiles | 18 |
CCCN1C(=O)C(C)(C)COc2cc(N=C(O)Nc3cc(Cl)ccc3OC)ccc21 | unichem_smiles | 38 |
N=c1[nH]nc(-c2ccc3c(c2)CNC3)n1N | unichem_smiles | 26 |
CCOC(=O)C(CCc1cc(OC)ccc1Br)C(=O)C(=O)O | unichem_smiles | 30 |
COc1cc(OC)cc(C(O)=NCCNc2cc(-n3ccc(C)n3)ncn2)c1 | unichem_smiles | 35 |
[C-]#[N+]C(C)(C)N=NC(C)(C)C#N | unichem_smiles | 26 |
Nc1ccc2[nH]nc(C(=O)NCC3CCCC3CO)c2c1 | unichem_smiles | 27 |
CC(C)c1cccc(S(=O)(=O)Nc2ccc(C(O)=NCCO)c(Cl)c2)c1 | unichem_smiles | 38 |
COCC(N=C(O)Cc1c(C)nc2c(c(O)nn2C)c1C)C1CC1 | unichem_smiles | 36 |
COc1ccc(CCN(C)C(=O)C[C@@H](c2cccc(C(F)(F)F)c2)c2c[nH+]c3cccc(C)n23)cc1OC | unichem_smiles | 56 |
CCCc1sc2c(O)nc3c(C)cc(OC)cc3c2c1-c1ccccc1 | unichem_smiles | 31 |
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(OC)c1OC | unichem_smiles | 47 |
O=C(c1cc[n+]([O-])cc1)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 | unichem_smiles | 43 |
Clc1ccc2[nH]c(=NCCN3CCCC3)c(-c3nc4ccccc4[nH]3)cc2c1 | unichem_smiles | 38 |
CC(C)N=C(O)C(C)NC(C)C#N | unichem_smiles | 21 |
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1OC | unichem_smiles | 43 |
CC1CCCC(N=C(O)N2CC3C(C2)C3(C)C)C1 | unichem_smiles | 28 |
N=c1[nH]cncc1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 | unichem_smiles | 33 |
COC(=O)c1cnc(Nc2ccnc(Cl)n2)s1 | unichem_smiles | 24 |
COc1ccccc1CCN=C(O)NCc1sccc1Br | unichem_smiles | 20 |
O=C1c2cccc(-c3ccc(Cl)cc3)c2C(=S)c2c1cccc2-c1ccc(Cl)cc1 | unichem_smiles | 39 |
CCCCN=C(O)N1CCc2c([nH]c3ccc(OC)cc23)C1c1cccc(OC)c1 | unichem_smiles | 36 |
Cc1cc(N=S2CCCC2)cc2ncnc(Nc3ccc(F)cc3OCC(O)=NCCc3ccccc3)c12 | unichem_smiles | 41 |
CC(C(O)=NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O | unichem_smiles | 45 |
CC1OCCC1N=C(O)CNC(C)(C)C | unichem_smiles | 19 |
CC(C)CCN(C(CO)c1ccc(N=[N+]=[N-])s1)S(=O)(=O)c1ccccc1 | unichem_smiles | 40 |
Cc1cc(N)ccc1C(=O)c1ccc(Br)cc1 | unichem_smiles | 22 |
CCCC(=O)C(C(C)C)N(C(=O)OC)[C@H](C(=O)C(F)(F)F)C(C)C | unichem_smiles | 44 |
Cc1ccc(CNc2nc(-c3ccccc3)[nH]c3nc(C)cc2-3)cc1 | unichem_smiles | 32 |
N#CCOc1ccc(CN=C(O)N[C@H](CO)Cc2ccccc2)cc1 | unichem_smiles | 31 |
CC(C)C1CCP(C)(=O)CC1 | unichem_smiles | 16 |
Cc1ccc(N=C(O)CNc2cccc(C(O)=NCc3ccccc3)c2)c(C)c1 | unichem_smiles | 36 |
OC(=Nc1ccccc1Oc1ccccc1)N1CCN(C2CC2)CC1 | unichem_smiles | 28 |
CC1CCN(CC2CCCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)CC1 | unichem_smiles | 36 |
CCCC(NC(O)=NCc1ccc(F)cc1)C(=O)N1CCc2ccccc21 | unichem_smiles | 29 |
O=C(N=c1[nH][nH]c2ccc([N+](=O)[O-])cc12)C1COCCO1 | unichem_smiles | 37 |
CCCC(CNCC)COCC(F)(F)F | unichem_smiles | 13 |
CCc1ccccc1NCC(=O)Nc1ccc(Br)c(C)c1 | unichem_smiles | 25 |
CCS(=O)(=O)N(C)CC(O)=Nc1cc(C)ns1 | unichem_smiles | 26 |
N#CC(=Cc1c(-c2ccccc2)nc2sccn12)c1ccccn1 | unichem_smiles | 28 |
Cc1ccc(F)cc1N=C(O)c1cccc(N=C(O)C2CCCN2C(=O)C2CCN(CC(=O)Nc3ccc(C(=O)Nc4c(F)cccc4F)cc3C)CC2)c1 | unichem_smiles | 75 |
COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(C[C@H](CCSC)N=C(O)OC(C)(C)C)CC1 | unichem_smiles | 49 |
CCC[C@@H]1CN(C(=O)OCc2cc(C)cc(C(F)(F)F)c2)[C@H]2CN(Cc3ccccc3)C(=O)[C@H](Cc3cnc[nH]3)N2C1=O | unichem_smiles | 74 |
CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CN=[N+]=[N-])C(F)(F)[C@H](C)[C@H]2N=[N+]=[N-])[C@@H](N=[N+]=[N-])C[C@H]1N=[N+]=[N-].CC[C@H]1OC(O)[C@H](OC(C)=O)[C@@H]1O[C@H]1O[C@@H](CN=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1N=[N+]=[N-].CC[C@H]1O[C@@H](O[C@@H]2[C@@H](OC(C)=O)[C@H](N=[N+]=[N-])C[C@H](N=[N+]=[N-])[C@H]2O[... | unichem_smiles | 370 |
COC(=O)c1ccc(CS(=O)(=O)N(C)[C@@H](C)c2ccccn2)cc1 | unichem_smiles | 36 |
C[C@@H](CC(C)(C)NC(=O)O)c1ccc([O-])cc1 | unichem_smiles | 28 |
C[C@@H](O[Si](C)(C)C(C)(C)C)C1C(=O)N(CC(=O)O)C1Sc1ccccc1 | unichem_smiles | 45 |
Nc1c(C(=O)c2cccc(OCc3ccccc3)c2)cnn1-c1ccc(F)cc1 | unichem_smiles | 36 |
CCCOc1cc(CN2CCC(n3nnc4cc(OC(=O)O)ccc43)CC2)ccc1OC | unichem_smiles | 33 |
Cc1cc(-c2c(C(C)C)cccc2C(C)C)ccc1-n1c(-c2cc(C(C)C)cc(C(C)C)c2O)nc2c(C3=C=C(c4cc(-c5ccc(C(C)C)cc5)ccn4)[CH-]C(C(C)(C)C)=C3)cccc21.[Pt] | unichem_smiles | 105 |
CC(O)=NCC(=O)OCc1cccc(Oc2cccc(C#N)c2)c1 | unichem_smiles | 29 |
COCCCCC(=O)N=c1cc(-c2cccs2)[nH][nH]1 | unichem_smiles | 26 |
CS(=O)Cc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)ccc1Cl | unichem_smiles | 35 |
Cn1ccc2ccc(NC(O)=NCCCN3C(=O)CCC3=O)cc21 | unichem_smiles | 27 |
CCCN=c1[nH]ccc(C(O)=NC(C)C(C)C)c1F | unichem_smiles | 28 |
Cc1ccc(CN(C)C(C)C(O)=NC(C)c2ccc(F)cc2)o1 | unichem_smiles | 32 |
Cc1cc(CSC2=NC(=O)C3=C4CC[C@H](C)C[C@H]4SC3=N2)no1 | unichem_smiles | 42 |
CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)SC1=Nc1ccc(F)cc1 | unichem_smiles | 39 |
CCC(CN=[N+]=[N-])C(=O)N=[N+]=[N-] | unichem_smiles | 25 |
CCCCC(CC)COCC(O)CNCC(O)(CC)CC | unichem_smiles | 18 |
Cc1sc(NS(=O)(=O)N2CCNCC2)c(C#N)c1C | unichem_smiles | 29 |
CNCCn1nnnc1SCc1cc(C)nn1C | unichem_smiles | 17 |
CSc1ccc(-c2c[nH]c(=N)n2C)cc1 | unichem_smiles | 23 |
OC(=[NH+]c1cccc(F)c1F)N1CCC(N2CCCC2)CC1 | unichem_smiles | 27 |
CC[C@H](C)c1ccccc1N=C(O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 | unichem_smiles | 43 |
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