text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
CCOc1cccc2c1nc(CCl)n2CCC(=N)O | unichem_smiles | 21 |
CC(C)(C)OC(O)=NCCCN=C(O)NCCc1nc2ccccc2[nH]1 | unichem_smiles | 32 |
COc1cccc(CCC(O)=NCc2cc3cc(Cl)cc(Cn4cnc5c(N)ncnc54)c3[nH]2)c1 | unichem_smiles | 44 |
Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cs2)c(C)c1 | unichem_smiles | 45 |
CC(C)(C)C1CCC(=NN=c2c(Cl)c(Cl)[nH]c(C(=O)[O-])c2Cl)CC1 | unichem_smiles | 42 |
CC(CN)CN1CCOC(C#N)C1 | unichem_smiles | 15 |
Cc1cc(C)c(C(O)=NCC(C)(O)c2ccco2)c(C)c1 | unichem_smiles | 32 |
CC1(C)CN(c2ccc(F)c([N+](=O)[O-])c2)CCN1 | unichem_smiles | 30 |
CCN(CC)CCCN1C(=O)C(=O)/C(=C(\O)c2ccco2)[C@H]1c1ccc(OC(C)C)cc1 | unichem_smiles | 48 |
CCCNC(Cc1ccc(CC)cc1)C1CCC(CC)C1 | unichem_smiles | 21 |
CC1CCNCC1NC(=O)c1ccc(N2CCCC2=O)cc1.Cl | unichem_smiles | 26 |
CCOc1ccc(CNC(=O)c2ccc(COc3ccc(Cl)cc3C)o2)cc1OCC | unichem_smiles | 34 |
CC1=N[C@@H](CCN=C(O)CCc2nc(O)c3c(C)c(C)sc3n2)SC1 | unichem_smiles | 40 |
CC1CCN(S(=O)(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)CC1 | unichem_smiles | 38 |
COC(C)c1cc(S(N)(=O)=O)nn1C | unichem_smiles | 21 |
Cc1ccc(N=C(O)CO/N=C/C(=O)Nc2ccc(F)cc2)cc1F | unichem_smiles | 35 |
Cc1c(CS(C)(=O)=O)cccc1NCc1ccc([Si](C)(C)C)cc1 | unichem_smiles | 31 |
Cc1cc(F)ccc1S(=O)(=O)N1CCOCC1CC(=O)c1ccccc1 | unichem_smiles | 33 |
CC1c2ccc(-c3ccccc3)c(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(=N)O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21 | unichem_smiles | 83 |
OC(=NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H](NCc2cc(F)ccc2F)CN1Cc1ccc(Cl)cc1 | unichem_smiles | 51 |
CC1(C)CN(C(=O)c2n[nH]c3c2CCC3)CCS1(=O)=O | unichem_smiles | 34 |
C[C@H]1CCc2ccccc2N1C(=O)C[S@](=O)Cc1ccccc1Cl | unichem_smiles | 35 |
CN1C(=O)c2ccc(N=C(O)CNc3ccc(F)c([N+](=O)[O-])c3)cc2C1=O | unichem_smiles | 44 |
Cc1ccc2nc(C)c(C(=O)N3CCC(NS(C)(=O)=O)CC3)cc2c1 | unichem_smiles | 36 |
[CH+]=C1C=C(C)C=C[N-]1 | unichem_smiles | 20 |
Cc1cc(-n2ncc3ccccc32)ccc1CC(C)N | unichem_smiles | 21 |
CCOC(=O)/C(=C(\N=C(O)OCC)c1cccc2ccccc12)[N+](=O)[O-] | unichem_smiles | 37 |
Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccc(C5CC5)cn34)cs2)s1 | unichem_smiles | 40 |
N#CC(=Cc1cccn1-c1ccc(O)cc1)C(O)=Nc1ccc(Cl)cc1Cl | unichem_smiles | 35 |
CNC(Cc1ccccc1)C(=O)C1(C(=O)C(N)CCCCN)Cc2ccccc21 | unichem_smiles | 36 |
Cl.Cl.N=c1nc(Nc2ccc3c(c2)CCC(N2CCCC2)CC3)[nH]n1-c1cc2c(nn1)-c1ccccc1CCC2 | unichem_smiles | 52 |
COC(=O)c1ccc2c(=O)nc(C(Cl)=Cc3coc4ccccc34)[nH]c2c1 | unichem_smiles | 37 |
Cc1nc(-c2ccccn2)[nH]c(=NCCNc2cccc(F)c2C#N)c1C | unichem_smiles | 35 |
CCC=C(C(=O)N1CCC2(CC1)COc1ccc(C[NH3+])cc12)C1C=CC=CC1C | unichem_smiles | 40 |
C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4c(c(-c5ccc(F)cc5)c(C(F)(F)F)cc24)SC[C@@H]3CC2CN(CC(F)F)C2)C[C@H]1C | unichem_smiles | 84 |
CCOc1ccc(N=C(O)C(C)C(N)c2ccccc2)cc1Cl | unichem_smiles | 29 |
O=C(O)C1CCN(Cc2cc(Cl)c3c(c2)OCO3)CC1 | unichem_smiles | 31 |
CCOCOc1cc(OC)ccc1-c1n[nH]c(=N[C@@H]2CCCN(C)C2)c2c1CCCC2 | unichem_smiles | 43 |
CC(O)=NCc1ccc(-c2csc(N=C(O)c3c(F)cccc3Cl)n2)s1 | unichem_smiles | 35 |
C=Cc1cc(Br)c(N2CCNCC2)cc1C(C)(C)c1[nH]c2cc(C#N)ccc2c1C | unichem_smiles | 45 |
Cc1c(O)cc(F)cc1N=[N+]=[N-] | unichem_smiles | 22 |
CC(C)C1n2nc(N)c(N)c2-n2[nH]c3c([nH]n21)[nH]n1c(-c2ccccc2)nnc31 | unichem_smiles | 51 |
COc1cccc(CCC(O)=N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)c1.O=CO | unichem_smiles | 42 |
CC.CC=CC.CCCCc1nc2c(=N)[nH]c3ccccc3c2n1CCCCN=C(O)CCCCCC(O)=NCCCCC(N)C=O | unichem_smiles | 49 |
Cc1nc(C(N=C(O)C2CCC(F)(F)CC2)c2ccccc2)n[nH]1 | unichem_smiles | 36 |
CC(C#CC1=C(C)C(=O)C(O)CC1(C)C)=CC=CC(C)=CC#CC=C(C)C=CC=C(C)C#CC1=C(C)C(=O)C(O)CC1(C)C | unichem_smiles | 73 |
OC(=Nc1c(Cl)ncnc1Cl)c1cc(Cl)nnc1Cl | unichem_smiles | 25 |
Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1cscn1 | unichem_smiles | 29 |
C[C@@H](NCc1ccn(C)c1)c1cccc(Cl)c1 | unichem_smiles | 25 |
C=C(C)Cn1c([C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)nc2ccccc21 | unichem_smiles | 41 |
N=C(O)Cn1ccnc1[C@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 | unichem_smiles | 45 |
CC1(C)C(C=c2c(=O)c(=CC3N(CCc4ccccc4Br)c4cc(C(F)(F)F)ccc4C3(C)C)c2=O)=[N+](CCc2ccccc2Br)c2cc(C(F)(F)F)ccc21 | unichem_smiles | 83 |
CS(=O)(=O)Nc1cccc(C[C@H](N=C(O)C2(CC(CN(C(=O)[C@@H](N)CCCCN)S(C)(=O)=O)C(=O)O)CCCC2)C(=O)O)c1 | unichem_smiles | 74 |
C=C/C=C(\C=C/C)C(=N)/C(CCC)=C(\N)CCC | unichem_smiles | 28 |
C=Cc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccc(C=C)cc6)c6ccccc6-7)cc5F)cc4)cc32)cc1 | unichem_smiles | 112 |
Oc1nc(CN2CCc3sccc3C2C2CC2)nc2ccc(Cl)cc12 | unichem_smiles | 28 |
CC(C(O)=Nc1cccc(S(N)(=O)=O)c1)N1CCCN(Cc2ccccc2F)CC1 | unichem_smiles | 38 |
CCCN(CC(O)=Nc1ccc(F)c(F)c1F)S(=O)(=O)C1CCOCC1 | unichem_smiles | 36 |
Cn1nnc2ccc(-c3cnc4[nH]c(NC5CCC6(CC5)OCCO6)ncc3-4)cc21 | unichem_smiles | 40 |
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)c2ccc(Br)cc2)C3CCC1 | unichem_smiles | 37 |
CNCCC(O)=Nc1c(C)noc1C.Cl | unichem_smiles | 18 |
O=C(O)C1(N(c2ccc(-c3cc(C(F)(F)F)on3)s2)S(=O)O)CC1c1ccccc1 | unichem_smiles | 47 |
CC(C)n1ncc2cc(S(=O)(=O)NCC3(C(=N)O)CCOCC3)ccc21 | unichem_smiles | 37 |
Cc1cc(C)cc(N=C(O)CN(C)C2(CO)CCC(C)C2)c1 | unichem_smiles | 33 |
C=CCN(CC=C)C(=O)C(C)N1CCCC(CN=C(O)C(C)C)C1 | unichem_smiles | 36 |
CCCCCCCCCCCCC(O)=NOC(C)CCCC(=N)O | unichem_smiles | 18 |
CCOc1ccc(C(O)=NCC2CC(=O)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] | unichem_smiles | 42 |
CN1C=CN(CCC#N)C1 | unichem_smiles | 12 |
COCC(O)=Nc1cccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)[NH+]=C3SCCCN32)c1 | unichem_smiles | 48 |
CC(C)CSc1cccc(/C=C(/C#N)C(=O)OC(C)C)c1 | unichem_smiles | 30 |
CSN1CCC(CN2CCNC(C)C2)(C(O)=NCC(C)C)CC1 | unichem_smiles | 28 |
CCOc1ccccc1N=C(S)NN=C(O)c1cccc(OC(F)(F)C(F)F)c1 | unichem_smiles | 37 |
COc1ccc(C(NN)c2ccc(OC(C)C)cc2)nn1 | unichem_smiles | 24 |
O=C(NCCc1nc2ccccc2[nH]1)C(=O)Nc1cccc(C(O)=NC2CC2)c1 | unichem_smiles | 40 |
O=Cc1cc(I)cc(I)c1OCc1ccc(F)cc1 | unichem_smiles | 24 |
Cc1c(C#N)cccc1NC(=O)C(=O)NC1CCN(C)C1=O | unichem_smiles | 32 |
CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O.O=C(O)/C=C/C(=O)O | unichem_smiles | 95 |
C/C(=N/N1C(=O)CC(O)=NC1=S)c1ccc([N+](=O)[O-])cc1 | unichem_smiles | 38 |
COCC1CCCN1C(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O | unichem_smiles | 32 |
Cn1cc(-c2cccc(-c3ncno3)c2)ccc1=O | unichem_smiles | 22 |
Cn1c(Nc2ccc(I)cc2F)c(C(O)=NCC(=O)O)c(=O)n(C)c1=O | unichem_smiles | 43 |
COc1cccc(COCC(O)=Nc2cc(Br)ccc2Cl)c1 | unichem_smiles | 23 |
COC(=O)C1(c2cccc(N=C(O)C3COC4(CCNCC4)C3)c2)CCC1 | unichem_smiles | 38 |
CC1=CC[C@H](C=CC(C)C=O)C1(C)C | unichem_smiles | 25 |
CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C2CCC1CC(O)=NC2 | unichem_smiles | 37 |
CC.CC.CC(=O)C(C)=C(C)O.CC(=O)C(C)=C(C)O.CCC.CCC.[Ir].[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12 | unichem_smiles | 76 |
Cc1nc(C2CCCC2)sc1C(=O)N1CCc2ccc(C#N)cc21 | unichem_smiles | 30 |
CCN(C(=O)c1ccc(Cl)cc1Cl)C(C)C1=NC(=O)C2C=CC(Cl)=CC2=N1 | unichem_smiles | 43 |
CCc1c(Cl)nc(C)nc1N1CCN(Cc2ccccn2)CC1 | unichem_smiles | 27 |
CCCCCCOc1ccc(C=CC(O)=Nc2ccc(C)cc2C)cc1OC | unichem_smiles | 27 |
COc1cc(C(C)=O)ccc1OCC(O)=NCc1cccnc1 | unichem_smiles | 24 |
CO/N=C(\C(O)=N[C@H]1CN2CC(C(C(=O)O)c3ccccc3)=C(C(=O)O)N2C1=O)c1csc(=N)[nH]1 | unichem_smiles | 64 |
CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)N1CCN(C3CC3)CC1)C2 | unichem_smiles | 39 |
CCOC(=O)CC1CCCN(c2c([N+](=O)[O-])cc(Br)nc2C)C1 | unichem_smiles | 34 |
CCCN(C1CCNCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C.Cl | unichem_smiles | 40 |
Cc1cccc(C)c1OCCCN=C(O)Cc1cn2ccsc2n1 | unichem_smiles | 27 |
CC1CC1.CCCC(C)(C)Cc1cc(COc2cccc(CCC(=O)O)c2F)c(F)cc1-c1cc(OC)ccc1F | unichem_smiles | 48 |
OC(=NCCNc1ncc(Cl)cc1Cl)NC[C@H](O)c1cccc(F)c1 | unichem_smiles | 33 |
CC1CCC(NS(=O)(=O)CC(O)=Nc2ccccc2N(C)c2ccccc2)CC1 | unichem_smiles | 34 |
CC(N[C@@H](CCC(=N)O)C(=O)O)C(=O)Cl | unichem_smiles | 28 |
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