text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
CC1(C)OB(c2cc(S(=O)(=O)C(F)(F)F)ccc2CBr)OC1(C)C | unichem_smiles | 38 |
CC(CN)N=C(O)C(CC(O)=NC(C)(C)C)N=C(O)CCc1ccccc1 | unichem_smiles | 36 |
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC | unichem_smiles | 102 |
CC1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCN1 | unichem_smiles | 27 |
O=P(O)(Oc1ccccc1)Oc1ccccc1.[Ag+] | unichem_smiles | 23 |
CCN(C)C=Nc1cc(OC)c(CCCOCC2CC2(F)F)cc1C | unichem_smiles | 30 |
CN(C)CC#Cc1ccc2c(O)n(Cc3ccc(OC(F)(F)F)cc3)cc2c1 | unichem_smiles | 37 |
CCOC1CC(N=C(O)CCCl)C1(C)C | unichem_smiles | 20 |
CCN(CC)C(=O)CCC1CCN(C(=O)Cc2ccsc2)CC1 | unichem_smiles | 29 |
CCCCCCCC(CCCBr)OC(=O)[O-] | unichem_smiles | 14 |
OC[C@@H](O)[C@@H]1OC(OC[C@@H](OC2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | unichem_smiles | 78 |
N=C(O)[C@@H]1CC(OCc2ccccc2)CN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N)Cc1cnc[nH]1 | unichem_smiles | 60 |
Cn1ccnc1C(=O)N1CCC(N)(C(=O)O)C1 | unichem_smiles | 26 |
O=C(OCC(O)=Nc1ncc(Br)s1)c1cc(Cl)ccc1Cl | unichem_smiles | 29 |
Cc1cccc(N2CCN(C[B-](F)(F)F)CC2)c1.[K+] | unichem_smiles | 30 |
CC(C)Oc1ccc(CCNS(=O)(=O)c2cnn(C)c2)cc1 | unichem_smiles | 30 |
O=C(c1coc(=O)c(Br)c1)N1CCCc2ccccc21 | unichem_smiles | 26 |
CC(CC(O)=NCC1(O)C2C3CC4C5C3CC2C5C41)c1cccnc1 | unichem_smiles | 34 |
COC(=O)[C@H]1[C@@H](N=C(O)/C(=N/OCC(=O)O)c2csc(=N)[nH]2)C(=O)N1S(=O)(=O)O | unichem_smiles | 64 |
COC(=O)c1cc2cc(CC#CCN=C(O)Cc3ccc(Cl)cc3Cl)ccc2o1 | unichem_smiles | 36 |
COc1ccc(CCCN(C)C(=O)c2ccnc(OC3CCC3)c2)cc1 | unichem_smiles | 30 |
CC(C)CN=C(O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)O)c1 | unichem_smiles | 40 |
O=C1N=CC=C(I)C1Cl | unichem_smiles | 15 |
C[C@@H](CN)N(C)c1ccccc1F | unichem_smiles | 18 |
Cc1nn(CN(CC2CCOC2)C2CC2)c(=O)c2ccccc12 | unichem_smiles | 28 |
Cc1cc(C(=O)N2CCC(C(O)=Nc3ccccc3)CC2)c(F)cc1F | unichem_smiles | 35 |
CCN=C(O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O | unichem_smiles | 48 |
CC(C)N=C(O)CCCC(O)=NCc1cn(C)nc1-c1ccccc1 | unichem_smiles | 29 |
COCCCN=C(O)C(C)N1CC=C(c2c(C)[nH]c3ccccc23)CC1 | unichem_smiles | 35 |
COCC[C@H]1CC(CCC(=O)OC)CN2CCC3c4ccccc4NC3C12.Cl | unichem_smiles | 32 |
COC(=O)N1c2ccc3c(nc(C4(Cn5cccn5)CC4)n3[C@H]3CC[C@H](C(=O)O)CC3)c2CC[C@@H]1C | unichem_smiles | 63 |
CC(NC(c1ccccc1)c1ccccc1)C(O)=Nc1sccc1C#N | unichem_smiles | 29 |
CCn1cc(C(O)=NCc2cc(C(=O)OC)c(C)o2)c2ccccc21 | unichem_smiles | 33 |
CCC[C@@H](CBr)CCCOCc1ccccc1 | unichem_smiles | 16 |
CCN1CCN(c2ccc(Cl)cc2N=C(O)c2ccccn2)CC1 | unichem_smiles | 28 |
C[C@H](c1cccnc1)N(C)C(O)=NCc1ccc(CS(C)(=O)=O)cc1 | unichem_smiles | 36 |
Cc1cc(=O)n2c3ccccc3nc2n1CCN1CCOCC1 | unichem_smiles | 26 |
CO[C@@H]1CN(C(=O)/C=C/c2cnc[nH]2)C[C@]12C[C@@H](c1ccccc1)CO2 | unichem_smiles | 48 |
CC(=O)c1ccc(S(=O)(=O)NCCC(O)=N[C@H](C)c2ccc(F)cc2F)cc1 | unichem_smiles | 42 |
CCOc1ccccc1-n1nnnc1S[C@H](C)C(O)=NCCOC | unichem_smiles | 28 |
CC1(CN[C@@]2(C)CCOC2)CCC1 | unichem_smiles | 18 |
COc1ccc(C(C)N=C(O)CCn2c(C)csc2=O)c(OC)c1 | unichem_smiles | 34 |
OC(CN1CCC2(CCOC2)C1)C(F)(F)F | unichem_smiles | 21 |
NC(Cc1ccc(Br)s1)Cc1cccc2ccccc12 | unichem_smiles | 20 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(O)C=C4CC(O)CC[C@]4(CO)[C@H]3CC[C@]12C | unichem_smiles | 63 |
CC1=C(C#N)c2nc3ccccc3n2C(=O)[C@@H]1/C=N/N1C(=O)CN=C1S | unichem_smiles | 45 |
CCC(=O)CCCOCCOCC(O)=N[C@H](CCCCN=C(O)CBr)C(=O)O.COCCOCCCC(=O)CCCS(=O)(=O)CC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1 | unichem_smiles | 74 |
Oc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C[C@@H](O)[C@@H](O)c1ccc(OCc2ccccc2)cc1 | unichem_smiles | 50 |
N=C(S)c1ccc(CN2CCC(O)CC2)c(F)c1 | unichem_smiles | 25 |
Cc1cc(Br)cc(CC[C@@H](C)O)c1 | unichem_smiles | 21 |
CCCCCCN1C(O)=N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]21 | unichem_smiles | 35 |
Cc1nc(C(O)=Nc2ccnn2C(C)C)nn1-c1ccc(F)cc1 | unichem_smiles | 32 |
OC1=NC(c2ccccc2)c2c(-c3cccs3)n[nH]c21 | unichem_smiles | 28 |
CCc1ccc(COc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc2)c(OC(C)C(=O)OC)c1.CP(=O)(O)CCC(N)C(=O)O.Cc1nn(-c2cc(CC(Cl)C(=O)O)c(Cl)cc2F)c(=O)n1C(F)F | unichem_smiles | 113 |
CCCCCOCC(O)=NC1=NCCS1 | unichem_smiles | 13 |
COc1ncnc2[nH]cc(Cc3cc(-c4ccc(Cl)nc4)cnc3F)c12 | unichem_smiles | 33 |
COc1ccc(C2=Cc3ccc(F)cc3C(CC(C)=O)N2c2ccc(C)cc2)cc1 | unichem_smiles | 38 |
CC(C)CC(CN)CC(=O)N1CCOCC1 | unichem_smiles | 19 |
Clc1cc(Cl)c(NCCCn2cccn2)nc1Cl | unichem_smiles | 20 |
Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccc(C)cc5)c5ccc6c(c5)oc5ccccc56)ccc5ccc2c3c54)cc1.Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccc(C)cc5)c5ccc6c(c5)oc5ccccc56)ccc5ccc2c3c54)cc1.Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccc(C)cc5)c5ccc6oc7ccccc7c6c5)ccc5ccc2c3c54)cc1.Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccc(C)cc5)c5cccc6oc7ccccc7c56)ccc5cc... | unichem_smiles | 231 |
CC(=O)Oc1cccnc1C#C[Si](C)(C)C | unichem_smiles | 22 |
CCC.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(C)c1.Cc1cccc(C)c1C | unichem_smiles | 116 |
CC(=O)CN(C)C(=O)[C@H](Cc1cccnc1)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCCCN=C(C)O)N=C(O)[C@](C)(CCCCN)N=C(O)[C@H](Cc1ccc2ccccc2c1)N=C(O)[C@H](Cc1ccc(C(N)=O)cc1)N=C(O)[C@H]1N=C(O)[C@H](CCCCN=C(C)O)N=C(O)[C@H](Cc2c[nH]c3c(C)cccc23)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](N=C(C)O)C(C)(C)SSC1(C)C | unichem_smiles | 244 |
CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(N=C(O)c3ccccc3F)cc2OC[C@H]1C | unichem_smiles | 53 |
CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 | unichem_smiles | 40 |
COc1cccc(-c2[nH+]c3ccc([NH3+])cn3c2CN2[C@H](C)CCC[C@H]2C)c1 | unichem_smiles | 44 |
COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(C)c1ccc(CC(C)C)cc1 | unichem_smiles | 42 |
CCC(=O)N1CCC(N=C(O)N(C)C(CC)Cc2ccc(C)cc2)C1 | unichem_smiles | 35 |
CN(C)c1ccc([C@@H]2[C@H](C(=O)O)C2(C)C)cc1 | unichem_smiles | 34 |
CC1CN(C)C(CC(=O)O)C(=O)N(C2CC2)C1 | unichem_smiles | 29 |
CNCC1CCN(C(=O)c2ncoc2-c2ccccc2Cl)C1.Cl.Cl | unichem_smiles | 30 |
CCC(=NOCc1ccc(C2CCCCC2)cc1)c1cc(Cl)ccc1C(F)(F)F | unichem_smiles | 33 |
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC[C@@H]1CC[C@H](n2cnc3c(O)ncnc32)O1)OC(=O)CCCCCCCCCCCCCCC | unichem_smiles | 56 |
CC(C)n1c(C2CCCN(CC(O)=Nc3ccccc3F)C2)nc2ccccc21 | unichem_smiles | 33 |
N=C(S)c1ccc2ccn(Cc3c(F)cccc3F)c2c1 | unichem_smiles | 28 |
CSc1ccccc1Cn1c(=O)n(CC(=O)O)c(=O)c2c(C)c(-c3cccs3)sc21 | unichem_smiles | 44 |
CC1CN=C(O)C(CO)N1CCN1CCOCC1 | unichem_smiles | 21 |
CCOC(=O)CC(C)NCC(O)c1ccc(O)c(O)c1 | unichem_smiles | 27 |
CC1(CO)CCCC1N=C(O)c1cccc(C2CCOC2)c1 | unichem_smiles | 25 |
CCC(C)C(=O)N=C1N=CC(=C2C=CC(=O)C=C2)N=C1CC12CC3CC(CC(C3)C1)C2 | unichem_smiles | 52 |
CCCC/C(=C/c1c[nH]c2c(Br)cc(Br)cc12)[N+](=O)[O-] | unichem_smiles | 36 |
CC[C@H](C)C(O)=NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N | unichem_smiles | 36 |
CCC1=C(C(=O)O)CC(C)(C(=O)O)C=C1 | unichem_smiles | 27 |
N#CC1(N=C(O)CSc2ncnc3cc(-c4ccc(F)cc4)sc23)CCCCC1 | unichem_smiles | 34 |
Cc1c(C(=O)N2CCOC[C@H]2CC(=O)O)cnn1Cc1ccccc1 | unichem_smiles | 36 |
Nc1c(C(O)=Nc2ccccc2)nnn1Cc1ccc(Br)cc1F | unichem_smiles | 29 |
CC(=C[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1)CCC(O)C(C)(C)O | unichem_smiles | 65 |
NCCN=C(O)C1N(C(=O)c2ccc(Cl)nc2)CCCN1C(=O)c1cccc(F)c1 | unichem_smiles | 42 |
Cc1cc(C(C)(C)Oc2ccccc2C=O)c(N)nn1 | unichem_smiles | 27 |
CCCCCC/C=C/CCC1CCC(C2CCC(C#N)CC2)CC1 | unichem_smiles | 24 |
C1=CC[N-]C=C1.O=C([O-])C1=CC2=C3C=CC(=C(c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)C(c4c(F)c(F)c(F)c(F)c4F)=c4ccc([n-]4)=C(c4c(F)c(F)c(F)c(F)c4F)C1=N2)[NH2+]3.[Ga] | unichem_smiles | 137 |
Cn1ccc(CN=CO)c1 | unichem_smiles | 11 |
CCS(=O)(=O)c1cc(F)ccc1N=C(O)NC1CCCC1(C)C | unichem_smiles | 31 |
COc1cc(C(=O)Cl)ccc1N=C(O)CCl | unichem_smiles | 22 |
CN=C(O)N=C(O)CCN(C)CC1(O)CCOCC1 | unichem_smiles | 26 |
CCCC(N=C(O)CCCSc1ccc(Br)cc1)c1nn[nH]n1 | unichem_smiles | 27 |
COc1c(C)cccc1C(=O)N1C(=O)C2C(=NC1=S)SC1=C2CCCC1 | unichem_smiles | 38 |
CNCCCN(C)S(=O)(=O)N(C)c1ccc(OC)cc1 | unichem_smiles | 26 |
COC(=O)C1(N=C(O)c2cccc(NC(=O)c3cccs3)c2)CCCCC1 | unichem_smiles | 36 |
COc1ccc(-c2nnc(SCCCN3C(=O)c4ccccc4C3=O)o2)cc1 | unichem_smiles | 34 |
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