text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
N=c1cc(N)nc(SCc2nc(Cl)c3ccsc3n2)[nH]1 | unichem_smiles | 29 |
COC(=O)CCN(CCCN(C)C)C(=O)/C=C/c1ccc(Cl)cc1Cl | unichem_smiles | 34 |
CN1C2CCC1CC(O)(C1(C(=O)O)CC1)C2 | unichem_smiles | 25 |
N=c1ccn(CC2S[C@H](COCc3ccc(Cl)cc3)[C@@H](OCC3=CCC(Cl)C=C3)[C@@H]2F)c(O)n1 | unichem_smiles | 56 |
CC(C)(C)NC1CCC(NCc2cccnc2)CC1 | unichem_smiles | 19 |
CSc1ccc(C2N=C(S)NC(c3ccc(SC)cc3)N2)cc1 | unichem_smiles | 29 |
N[C@@H](CCCCN=C(O)OCc1ccc(I)cc1)C(=O)O | unichem_smiles | 29 |
Cc1ncc(NCc2ccc(O)cc2)nc1C | unichem_smiles | 19 |
Cc1cc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccccn34)c2)cc(-n2ccnc2)c1 | unichem_smiles | 43 |
COc1ccc(-c2cc(C(=O)N(CC(=O)O)Cc3ccc(F)cc3Cl)c3ccccc3n2)cc1 | unichem_smiles | 44 |
Cc1ccc(/C=C/C(=O)O)cc1C(O)=Nc1cnns1 | unichem_smiles | 28 |
COC(=O)c1ccc(NCCCN2CCOCC2)cc1 | unichem_smiles | 21 |
CN(C)c1cccc(-c2nnc(S(N)(=O)=O)n2C)c1 | unichem_smiles | 28 |
Cc1csc(C(=O)N2CC[C@@H](O)[C@@H](C)C2)c1Cl | unichem_smiles | 33 |
CC(O)C(C)(C)Nc1ncc(N)cc1C(N)=O | unichem_smiles | 25 |
CCN1CCN(c2cccc3c(O)n(C(CC4CCN(S(=O)(=O)O)CC4)c4ccc(OC)c(OC)c4)cc23)CC1 | unichem_smiles | 54 |
Cc1cc(OC(C)C)c(C(C)C)cc1-c1cc(C(=O)O)n(C)n1 | unichem_smiles | 39 |
COc1ccc(C(C)(O)CNCC(C)C)c(F)c1 | unichem_smiles | 24 |
Cc1cc2nnc(C(O)=Nc3ccccc3N3CCCCC3)c(C)n2n1 | unichem_smiles | 32 |
N#CC1N=c2c([N+](=O)[O-])cccc2=CC1=O | unichem_smiles | 26 |
NC[C@@H](COc1ccccc1F)c1cc[nH]c1 | unichem_smiles | 23 |
CNCCCN(CCN(C)C(=O)OCc1ccc(NC(=O)CN=C(O)C(N=C(O)OCCN2C(=O)C=CC2=O)C(C)C)cc1)C(=O)Oc1cc2c(c3c(C)cccc13)CCN2C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)cnc2[nH]1 | unichem_smiles | 120 |
CCc1nc2n(n1)CC(N=C(O)NC(CC)c1ccc(Cl)cc1)CC2 | unichem_smiles | 33 |
Cc1cc(Cl)ccc1N=C(O)c1ccc(C(C)C)nn1 | unichem_smiles | 27 |
CC(C)(C)c1csc(CCN=C(O)C2CN(Cc3ccccc3)CCO2)n1 | unichem_smiles | 35 |
Cc1csc(Cl)c1NC1=NCCN1C(=O)CO[N+](=O)[O-] | unichem_smiles | 33 |
C=CCC(O)(CBr)c1ccc([N+](=O)O)cc1 | unichem_smiles | 23 |
C[C@]12CC[C@H]3[C@@H](CCC45OC4C(=O)CC[C@H]35)[C@@H]1CC/C2=C\Cl | unichem_smiles | 48 |
CC(C)(C(=O)O)N1C(=O)[C@H]2CC=CC[C@H]2C1=O | unichem_smiles | 36 |
N=C(O)[C@H](CS)N=C(O)[C@H](Cc1ccccc1)N=C([O-])C[N-]C(=O)CCN=C(O)[C@@H](N)Cc1ccc([O-])cc1.[O-2].[Re+5] | unichem_smiles | 78 |
CC(C)CCOC1CCC(C)CC1 | unichem_smiles | 13 |
CCN(C(=O)c1cncc(C(=O)N2CCC(C)CC2)c1)C1CCS(=O)(=O)C1 | unichem_smiles | 43 |
CC1CN(C(C)C)CC1N=C(O)CCc1cn(C)c2ccccc12 | unichem_smiles | 30 |
C=C1C=C(C)[N-]c2ccccc21.[Li+] | unichem_smiles | 22 |
Cc1cccc(C(CCO)CC(C)C)c1 | unichem_smiles | 18 |
C1=CC(c2cncc3nc(-c4ccnc(Nc5ccc6ccnn6c5)c4)nc(N4CCNCC4)c23)=C1 | unichem_smiles | 45 |
COC(=O)[C@]1(C)[C@@H](OS(=O)(=O)[O-])CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 | unichem_smiles | 94 |
Cc1ccc(NC(O)=Nc2nnc(SCC(O)=Nc3nc4ccc(C)cc4s3)s2)cc1 | unichem_smiles | 39 |
COC(=O)C1=C(C)Nc2sc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)c2C1c1ccc(C(=O)OC)cc1 | unichem_smiles | 61 |
CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccccc2)cc([N+](=O)[O-])c1OCC | unichem_smiles | 41 |
Cn1ccc(COc2ccc(N)c(NCc3ccc(Br)cc3)c2)n1 | unichem_smiles | 29 |
O=C(c1ccco1)N(c1ccc2c(c1)OCCO2)[C@H](C(O)=NC1CCCC1)c1cccs1 | unichem_smiles | 44 |
CN(C)c1ccc(N2CCC(N=C(O)c3cccc(OC(F)F)c3)CC2)cc1 | unichem_smiles | 36 |
Cc1c(C(O)=NN=C(O)[C@@H](C)n2cncn2)oc2ccccc12 | unichem_smiles | 33 |
O=S(=O)(CCN1CCN(S(=O)(=O)c2cccnc2)CC1)Oc1ccccc1 | unichem_smiles | 36 |
CCOc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)cc(I)c1OCC(=O)OC | unichem_smiles | 39 |
CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccccc1C(=O)O | unichem_smiles | 57 |
COC(=O)C1CCN(C(=O)CSc2n[nH+]c(CN3CCCCC3)n2-c2ccc(F)cc2)CC1 | unichem_smiles | 47 |
CC(C)(C)C(=O)Cn1cc(C(O)=NCCCCc2ccc([N+](=O)[O-])cc2)nn1 | unichem_smiles | 40 |
COC1CCC2C(CC[C@]3(C)C2CC[C@]2(C)C(=O)CCC32)C1 | unichem_smiles | 37 |
CC(Cc1c(Cl)cccc1Cl)N=C(O)NC(C)COC1CCOC1 | unichem_smiles | 29 |
Cc1cc(C)c(N2CCN(C(=O)c3ccc(C(=O)O)cc3)CC2)c(C)c1 | unichem_smiles | 42 |
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1C[C@H](ON)C[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C | unichem_smiles | 118 |
CCSc1nnc(N=C(O)COc2ccc(C3SCCCS3)cc2)s1 | unichem_smiles | 29 |
CCCc1cc(-n2c(C)nc3ccccc32)ncn1 | unichem_smiles | 20 |
Cc1cc(CBr)ccc1N1CCc2sccc2C1 | unichem_smiles | 20 |
OC(=NC1CCOc2ccccc21)c1cccc2cc[nH]c12 | unichem_smiles | 24 |
CCN=C(NCc1cccc(COCc2ccccc2)c1)NCC1(CCO)CCOC1 | unichem_smiles | 31 |
Cc1ccc2c(CC(O)=NC3CCc4nccn4C3)coc2c1C | unichem_smiles | 28 |
CC1Cc2cc(C(O)=Nc3cccc(C(F)(F)F)c3)ccc2N1S(C)(=O)=O | unichem_smiles | 39 |
COc1ccc(-n2ccc(C(=O)NCCCN3C[C@H](C)C[C@H](C)C3)n2)cc1 | unichem_smiles | 42 |
Cc1cc(C#N)ccc1CN(C)C(C)C(=O)O | unichem_smiles | 25 |
Fc1ccc(C(c2ccc(Br)s2)N2CCCNCC2)cc1 | unichem_smiles | 24 |
O=S(C(CC(F)(F)F)c1c(F)c(F)c(F)c(F)c1F)C(CC(F)(F)F)c1c(F)c(F)c(F)c(F)c1F | unichem_smiles | 67 |
CCOC(=O)CC(=O)N(c1ccc(C)cc1)c1ccccc1C | unichem_smiles | 28 |
Cc1cc(C(F)(F)F)cc(S(=O)(=O)NCCO)c1 | unichem_smiles | 29 |
CCC(C)(C#N)C(=O)N(CCC#N)C1CC1 | unichem_smiles | 23 |
C/C(=C\CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O | unichem_smiles | 69 |
COc1cccc(N([C@@H](C)C(O)=Nc2ccccc2C(O)=NCC(C)C)S(C)(=O)=O)c1 | unichem_smiles | 45 |
COC(=O)N1CC=C(c2cccc3cc(-c4nc5cc(C(=O)N6CCCC(CN)C6)cc(OC)c5n4C)n(CC4CC4)c23)CC1 | unichem_smiles | 60 |
Cc1cc[nH+]c2nc(C(=O)N3CCC[C@H]3CN3CCCCC3)nn12 | unichem_smiles | 35 |
COCc1cccc(C(O)=N[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1 | unichem_smiles | 41 |
CN(CCOc1ccc(Cl)cc1)C(=O)c1cnc(S)[nH]1 | unichem_smiles | 29 |
COCCN(CC(C)C)C(=O)c1ccc(C)nc1O | unichem_smiles | 24 |
Cc1csc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)c1 | unichem_smiles | 51 |
C1=c2ccc(-c3ccccc3)cc2=CC1 | unichem_smiles | 18 |
CC#CCC(NN)c1cc2ccccc2o1 | unichem_smiles | 15 |
CN=C(NCc1ccccc1CN1CCCCCC1)NC1CCN(C(=O)C2CCCC2)C1 | unichem_smiles | 33 |
CCOc1ccc(/C=C/c2ccc(C3CCC(c4ccc(C)c(F)c4F)CC3)cc2F)c(F)c1F | unichem_smiles | 46 |
Cc1ccc(N(CCC#N)S(=O)(=O)c2cccs2)cc1 | unichem_smiles | 27 |
COC(=O)Cc1ccc(CCN2CCOC(c3cccc(Cl)c3)C2)cc1 | unichem_smiles | 31 |
CCN(CC1=NC(=O)C2=CC(OC)C(OC)=CC2=N1)C(=O)c1cc(C(C)=O)c[nH]1 | unichem_smiles | 49 |
COCCn1c(C(=O)OC2CCOC2)cc2ccccc21 | unichem_smiles | 22 |
Cc1ncc2n1CCC(C(=O)N1CCCC(S(=O)(=O)N(C)C)C1)C2 | unichem_smiles | 38 |
C=CCOC(O)=NC1CCN(C(=O)Cc2ccc(OCC)cc2)CC1 | unichem_smiles | 30 |
C#CCN(C(=O)CCSC)c1sc(-c2cccnc2)nc1C | unichem_smiles | 26 |
CC(C)=CCCC(C)=CCOc1ccc(C(=O)Nc2cccc3c2OC(c2nn[nH]n2)CO3)cc1 | unichem_smiles | 43 |
Cc1nn(C)c(C)c1N=C(O)[C@H](C)N[C@H](C)c1ccccc1Cl | unichem_smiles | 39 |
Cc1ccccc1C#CN=S(C)(=O)c1ccccc1 | unichem_smiles | 22 |
C/C(=N/O)c1cccc(C)n1.C/C(=N/OCCCO)c1cccc(C)n1 | unichem_smiles | 37 |
C1=CC2CCNC2c2cccnc21 | unichem_smiles | 13 |
CC(=O)CCCCSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 | unichem_smiles | 33 |
CC(C)(C)OC(=O)/C(C#N)=C\c1cccc(Oc2cccc(C(F)(F)F)c2)c1 | unichem_smiles | 41 |
COc1cc(NC(=NCC2CCCO2)N=C(O)c2cccc(C)c2)cc(OC)c1 | unichem_smiles | 36 |
C[C@@H](C(=O)CN=[N+]=[N-])N(C)OC(=O)OCc1ccccc1 | unichem_smiles | 35 |
CCC(O)C(N)c1cc(C)c(O)c(C)c1 | unichem_smiles | 24 |
COc1ccc(CN(C)CC(C)(C)O)cc1OC(F)F | unichem_smiles | 24 |
COC(CNC(=N)N1CCSCC1)c1ccc(F)cc1 | unichem_smiles | 24 |
OC(=NC1COC2C1OCC2n1cc(CC2CCCCC2)nn1)C1CCC1 | unichem_smiles | 30 |
O=C(c1ccc(-c2cnco2)cc1)N1CCN(c2ccccc2O)CC1 | unichem_smiles | 31 |
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