text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
CSN1C=C(Cl)c2cnc(Cl)c(F)c2C1 | unichem_smiles | 24 |
CC1(c2cc(Br)ccc2F)C=CSC(N(COCC[Si](C)(C)C)C(=O)O)=N1 | unichem_smiles | 40 |
N=C1NS(=O)Nc2cccc(OCC3CCCN(C(=O)Cc4ccncc4)C3)c21 | unichem_smiles | 38 |
CCc1cc2c(C(O)=NC)c(-c3ccc(F)cc3)oc2nc1CN(CCCC(=O)OC)[SH](=O)=O | unichem_smiles | 43 |
CC[C@@H](C)[C@@H](NC(=N)O)C(O)=N[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 | unichem_smiles | 50 |
C#CCN(CC#C)C(=O)CCOc1ccccc1OC | unichem_smiles | 22 |
CCC(CC)c1cc[n+](CC(O)=NCCc2ccc(OC)cc2)cc1 | unichem_smiles | 28 |
C[C@@H]1C[C@H]1C(O)=Nc1ccc(F)cc1C(O)=Nc1nnc(C(C)(C)C)s1 | unichem_smiles | 47 |
Cc1c(CCCC(=O)O)c2c(F)ccc(C=Cc3ccc(OCCCCOc4cc(F)cc(F)c4Cl)cc3)c2n1CC(=O)O | unichem_smiles | 57 |
O=C(N=C(O)CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1ccc(OC(F)F)cc1 | unichem_smiles | 43 |
CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(CO)CC1)C(C)C | unichem_smiles | 33 |
CCCC(CC/C=C/CCOC)C(C)n1c(C)c(C(O)=NCc2c(OC)cc(C)nc2O)c2ccccc21 | unichem_smiles | 47 |
CC(C)C(O)=Nc1ccc(Cl)c(N=C(O)C(N=C(O)C2CCN(CC(O)=Nc3ccc(Cl)c(C(=O)N4CCOCC4)c3)CC2)C(C)C)c1 | unichem_smiles | 75 |
CC(C)C(C)(C)N=C(O)C1COC1 | unichem_smiles | 21 |
CC(=O)c1c(F)cccc1N1CCOC(C)(c2ccccc2)C1 | unichem_smiles | 28 |
CN(Cc1cccc(C#N)c1)c1ccc(N)c(CC#N)c1 | unichem_smiles | 28 |
COCc1cc(C(=O)N2CCC(CCCl)C2)no1 | unichem_smiles | 23 |
CC(C)C[C@@H](NC(=O)c1cccs1)c1nccs1 | unichem_smiles | 27 |
CCc1nc(N=[N+]=[N-])n2ncc(-c3ccc(Sc4ccccc4)cc3)c2n1 | unichem_smiles | 36 |
CCCCCCOC(C)c1c(C)c2cc3[nH]c(c4c5nc(cc6nc(cc1[n-]2)C(C)C6CC)C(C)=C5C(=O)C4)C(CCC(=O)N=C1C=CC(=S=C2C(=CC=C4N(CCCCS(=O)(=O)[O-])c5ccc6ccccc6c5C4(C)C)CCCC2=CC=C2N(CCCC[S+](=O)(O)O)c4ccc5ccccc5c4C2(C)C)C=C1)C3C.[Cu+2].[Na+] | unichem_smiles | 172 |
C=C/C(=C\C=C\N(/C(C)=C/C=C(\C)N(C/C=C\C=C/C)c1cccc(C)c1)c1ccc(N(c2ccccc2)c2cccc(C)c2)cc1)N(c1ccccc1)c1cccc(C)c1.CC.CC.CC | unichem_smiles | 96 |
CCOC(=O)c1c(-c2ccccc2)csc1N=C(O)C(Sc1cccc(N=C(O)CCC(=O)O)c1)c1ccccc1 | unichem_smiles | 52 |
ClC1(OC[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)N=N1 | unichem_smiles | 42 |
OC(/C=C/c1ccsc1)=NCc1cccc(OC[C@@H]2CCCO2)c1 | unichem_smiles | 30 |
Cc1ccc(N2C[C@@H](C(O)=[NH+][C@@H]3CCN(Cc4ccccc4)C3)CC2=O)cc1 | unichem_smiles | 46 |
C#CC1Oc2ccccc2OCC1(C)C | unichem_smiles | 17 |
COc1cc(Cl)c(S(=O)(=O)NC(C)(CN)CC(C)C)cc1OC.Cl | unichem_smiles | 34 |
CCOC(=O)N(C)c1ccc(N[C@H](C)C(O)=NCCCOC)cc1 | unichem_smiles | 32 |
CCOc1ccc(N=C(O)[C@H]2CCS(=O)(=O)C2)cc1OC | unichem_smiles | 32 |
O=C(Cn1cccc1)N1CCC(S(=O)(=O)Cc2ccco2)C1 | unichem_smiles | 31 |
CC(C)N(CCC(=N)N)Cc1ccc(Cl)c(F)c1 | unichem_smiles | 26 |
CC(C)(NC1CCCN=C(O)C1)c1ccccc1 | unichem_smiles | 21 |
CC/C(C)=C(C(=O)O)\C(=C/C=C(\C)Br)NC(C)c1cc(C)cc2c(=O)c(C)c(-c3ccccc3)oc12 | unichem_smiles | 59 |
CCCCOCC(O)COC1=CC(=O)C(=C2N=C(c3ccc(C(C)(C)C)cc3)NC(=C3C=CC(OCC(O)COCCCC)=CC3=O)N2)C=C1 | unichem_smiles | 68 |
CN(CCC(NC1CC1)C(=O)O)CC1CCC1 | unichem_smiles | 20 |
CN1C(=O)c2ccc(C(O)=N[C@@]3(C)CCS(=O)(=O)C3)cc2C1=O | unichem_smiles | 42 |
CCCC(C)CC(NC)c1ccc(F)c(C(F)(F)F)c1 | unichem_smiles | 26 |
CCN(CC)CC(=O)N1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)ccc2C1 | unichem_smiles | 59 |
C#CCN(C(O)=Nc1cccc(Cl)c1)C1CCc2ccccc21 | unichem_smiles | 27 |
CCCOc1ccc(N=C(O)C(=O)NCc2cc(C)no2)c(C)c1 | unichem_smiles | 33 |
C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.CCC(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2 | unichem_smiles | 211 |
CCCN(c1ccncc1F)n1ccc2cc(O)ccc21.Cl | unichem_smiles | 23 |
Cc1ccc(C)c(Cn2c(CCN=C(O)C=Cc3ccccc3)nc3ccccc32)c1 | unichem_smiles | 38 |
OC(=NN1CCc2ccccc21)c1cnc2c(-c3cc(Cl)c(F)c(Cl)c3F)c(F)ccc2c1N1CCOCC1 | unichem_smiles | 51 |
N=c1nc2sc(C(O)=Nc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(O)[nH]1 | unichem_smiles | 55 |
c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4-c4c(ccc6ccccc46)C54c5ccccc5Sc5ccccc54)cc3)c3cccc4oc5ccccc5c34)cc2)cc1 | unichem_smiles | 64 |
Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCn2cccc2C1C | unichem_smiles | 32 |
Cc1cccc(C(O)CNC(O)=NCCc2nc(C(C)(C)C)cs2)c1 | unichem_smiles | 33 |
C=CCOC(=O)N1CCCC(c2cc(N(C)c3ccc(Cl)s3)n[nH]2)CC1 | unichem_smiles | 38 |
Cc1cc(OCc2ccc(F)c(Cl)c2)ccc1Br | unichem_smiles | 22 |
Nc1cccc(-n2cnc3cc(C(O)=NCc4cccnc4)ccc32)c1 | unichem_smiles | 28 |
CCc1ccccc1N=C(O)C(C)NC(COC)c1ccc(C)o1 | unichem_smiles | 29 |
CN1CC(C)(c2cc(N=c3[nH]ccn4ccnc34)ccc2F)NC(=N)C(C)(C)S1(=O)=O | unichem_smiles | 47 |
CN(C)c1cccc(C(O)=NS(=O)(=O)N2CCOCC2)c1 | unichem_smiles | 29 |
OC(COc1ccc(Cl)c(Cl)c1)=NC12CCC(C(O)=NCc3ccc(C(F)(F)F)cc3)(CC1)C(O)C2 | unichem_smiles | 49 |
Cc1ccc(C)c(-n2cnnc2SCC(O)=NCCOc2ccc(Cl)cc2)c1 | unichem_smiles | 33 |
OC(=N[C@@H]1C=CCCC1)Nc1ccc(COC2CCCC2)cc1 | unichem_smiles | 28 |
CCCCc1ccc(C#Cc2ccc(C#Cc3ccc(CCC)cc3)c(CC)c2)cc1 | unichem_smiles | 33 |
Cc1ccc(OCCCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(O)=NC2CCCC2)cc1 | unichem_smiles | 46 |
Cc1ncc2c(c1CN=C(O)c1ccsc1)CCN(C(=O)C[C@H]1N=C(O)c3ccccc31)C2 | unichem_smiles | 51 |
COC(O)=NC(C(=O)N(Cc1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc(C6[C@H]7CC[C@H](C7)N6C(=O)C(N=C(O)OC)C(C)C)[nH]c5c4)ccc2-3)[nH]1)CC1(C)CC1)C(C)C | unichem_smiles | 116 |
CCCCCCCCCCCCCC(C)(C)C1ON=NC1=O | unichem_smiles | 17 |
CSCCCN=C(O)C1CC(C)CC[C@H]1CO | unichem_smiles | 22 |
COCCN=C(O)COc1c(C)cc(CN)cc1C | unichem_smiles | 22 |
O=S(=O)(O)CCCc1ccccc1Cl | unichem_smiles | 16 |
CCN(C)CC1CCN(C(=O)C(C)CN(C)C(=O)OC(C)(C)C)C1 | unichem_smiles | 38 |
COc1cccc(-n2cnc(=Nc3cc(Cl)nc(N4CCOCC4)c3)[nH]2)c1.[HH] | unichem_smiles | 40 |
COC(=O)C1CCCN(CCC(O)=NCC2CCCCC2)C1 | unichem_smiles | 24 |
CC(C)[C@]1(C)N=C(O)N(C[C@@H](O)COc2ccc3ccccc3c2)C1=O | unichem_smiles | 42 |
CC(C)CN=C(O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 | unichem_smiles | 43 |
C=CC[SiH2]C(N(C)C)N(C)C | unichem_smiles | 21 |
BC(B)(O)Oc1cc(OC(F)(F)F)ccc1Oc1cc(-c2ccc(C)cc2)cc(F)c1C(O)=Nc1ccnc(C(N)=O)c1 | unichem_smiles | 59 |
NCCC(=O)N1C(=O)CN(/N=C/c2ccc([N+](=O)[O-])o2)C1=O | unichem_smiles | 39 |
N=C(O)c1cccc(CN=C(O)c2cc(F)cc(Br)c2)c1 | unichem_smiles | 31 |
CCCN=c1nc(-c2c(C)cc(C)cc2F)nc(OC)[nH]1 | unichem_smiles | 29 |
N#CC1CN(C(O)=NC(c2ccccc2OC(F)F)C(F)(F)F)CCO1 | unichem_smiles | 34 |
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1cccc(C)c1 | unichem_smiles | 33 |
CCCCN(CCCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 | unichem_smiles | 43 |
COCCCCC1(CNCCOC)CCCC1 | unichem_smiles | 11 |
C=C/C(=C\C(=C/C)c1cnc2n[nH]c(-c3nc4c(-c5cccc(F)c5)ccnc4[nH]3)c2c1)CCCN1CCCC1 | unichem_smiles | 62 |
CCN(C)C(=O)c1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2)c1 | unichem_smiles | 38 |
CCc1noc(CC)c1CN=C(O)NN=C(O)C(C)Oc1cccc(C)c1C | unichem_smiles | 36 |
CC.CC.CC.CC(=O)N(C)Cc1c2ccccc2c(CN(C)Cc2ccccc2B(O)O)c2ccccc12 | unichem_smiles | 46 |
N=C(O)NCC(O)=NCCC(=O)Nc1ccc(Br)cc1 | unichem_smiles | 26 |
CCN1CN(C(O)=Nc2ccc3c(c2)N=C(O)C(C)O3)CC1=O | unichem_smiles | 36 |
CO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OC(C)=O | unichem_smiles | 64 |
CC(CC(=O)N1CCCC(C(O)=NCC2CC2)C1)C1CCCNC1 | unichem_smiles | 29 |
CC(C)(C)C1=CC(c2cc(C(C)(C)C)cc3sc(-c4ccccc4O)nc23)=C=C(c2ccccn2)[CH-]1.CC(C)(C)C1=CC(c2cccc3sc(-c4ccccc4O)nc23)=C=C(c2cc(C(C)(C)C)ccn2)[CH-]1.CC(C)(C)C1=C[C-](C(C)(C)C)C(c2ccccn2)=C=C1c1cccc2sc(-c3ccccc3O)nc12.CC(C)(C)c1ccnc(-c2[c-]c(-c3cc(C(C)(C)C)cc4sc(-c5ccccc5O)nc34)ccc2)c1.[Pt].[Pt].[Pt].[Pt] | unichem_smiles | 213 |
CCN1C(O)=N[C@H](c2ccc(Cl)cc2Cl)C2=C1CN([C@H](C)C(=O)N(C)C(C)C)C2=O | unichem_smiles | 55 |
CCN1CCN(C(=N)NCc2ccccc2)CC1 | unichem_smiles | 20 |
CN1CCC(O)(C#Cc2ccc3c(c2)-n2nc(C(O)NC4Oc5ccc(C#CC6(O)CCN(C)C6=O)cc5-n5nc(C(=N)O)c(C(F)(F)F)c5C4F)c(C(F)(F)F)c2C(F)CO3)C1=O | unichem_smiles | 103 |
COc1cc(/C=N/O[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)ccc1OCc1ccccc1 | unichem_smiles | 44 |
CCC1(Cc2cnccc2N2CC3(CN(CC4CCOCC4)C3)C2)CC=C(F)C=C1c1ccccc1 | unichem_smiles | 44 |
CC12CCC(=O)N1C(C(O)=Nc1nc(-c3ccc4c(c3)CCO4)cs1)CS2 | unichem_smiles | 38 |
CC(C)CCN=C(O)C(C)N=C(O)c1cccc([N+](=O)[O-])c1 | unichem_smiles | 36 |
CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5ccccc5c4)cc3)ccc21 | unichem_smiles | 59 |
CC(C)=O.CC(C)C.CCC(C)=O.COc1ccc(C(C)C(C)CCC(C)C)cc1 | unichem_smiles | 39 |
CN(Cc1cccc(Cl)c1)C(O)=NCC(C)(C)c1ccc2c(c1)OCO2 | unichem_smiles | 35 |
Cc1c(Cl)cc(S(=O)(=O)N(C(C)C)C2CCC2)cc1[N+](=O)[O-] | unichem_smiles | 42 |
Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)CCn2cccn2)n1 | unichem_smiles | 36 |
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