text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
O=C([O-])CCCO.O=C([O-])CCCO.[Au+].[Au+].[CH2]CP(c1ccccc1)c1ccccc1.[CH2]CP(c1ccccc1)c1ccccc1 | unichem_smiles | 59 |
Cn1cc(CCNCC(N)C(=O)O)c2ccccc21 | unichem_smiles | 23 |
N=C(O)CCCCN=C(O)N(CCC(=O)O)C1CC1 | unichem_smiles | 26 |
C[C@@H]1CCS(=NO)CN1 | unichem_smiles | 15 |
OC(Cn1cc(-c2ccccc2)nn1)=NCC(O)CN1CCCCC1 | unichem_smiles | 26 |
CCOC(=O)C1CCN(C(=NCCCOC)NCc2nnc(C)n2C)CC1 | unichem_smiles | 32 |
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 | unichem_smiles | 45 |
CS(=O)(=O)c1ccc(CN(Cc2cc(CNS(=O)(=O)c3cc(Cl)cc(Cl)c3O)cc(Oc3ccc(F)cc3)c2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1 | unichem_smiles | 81 |
COc1ccc(-c2ccccc2)c2c(C)c[nH]c12 | unichem_smiles | 24 |
COc1cccc(CN(Cc2cn(C(C)C)nn2)C2CCC(O)CC2)c1 | unichem_smiles | 32 |
CN(C(=O)O)C(C=O)Cc1c[nH]c2ccccc12 | unichem_smiles | 28 |
CN=C(O)CCCC(O)=NC(c1cccs1)C(C)(C)C | unichem_smiles | 25 |
CC1=C(CO[N+](=O)[O-])C(=O)c2ccccc2C1=O | unichem_smiles | 30 |
C=C/C(=C\C=C/C)C(=C)c1nc(-c2cccc(C(=O)N3CCOCC3)c2)cnc1N | unichem_smiles | 47 |
C[C@@H](N=C(O)/C=C/c1cccc(OC2CCCC2)c1)c1cccnc1 | unichem_smiles | 33 |
CCOC(=O)COc1ccc(C(CCCN(Cc2ccccc2)C[C@H](O)c2cccc(Cl)c2)c2ccc(OCC(=O)OCC)cc2)cc1 | unichem_smiles | 58 |
CCOc1ccc(OC(F)F)c(O)c1C | unichem_smiles | 19 |
CN(CCC(=O)O)Cc1cc(O)ccc1[N+](=O)[O-].O=C(O)C(F)(F)F | unichem_smiles | 41 |
CC(C)c1cc(=O)n2nc(N3CCC[C@@H]3C(O)=NCc3ccccc3)sc2n1 | unichem_smiles | 39 |
N#Cc1ccc(Cn2c3c(c(O)c(C(O)=NCC(=O)O)c2=O)CCOC3)c(F)c1 | unichem_smiles | 47 |
CN(C)c1ccc2c(c1)c(=O)c1ccccc1n2C | unichem_smiles | 26 |
CN(C)C(=N)CCc1ccc2sc3c(CCC(=N)N(C)C)cccc3c2c1 | unichem_smiles | 35 |
Cc1c(Br)cc(C(=O)O)cc1NS(=O)(=O)CC1COc2ccccc2O1 | unichem_smiles | 36 |
CCn1cc(NC(=O)C(=O)NCc2ccsc2)ccc1=O | unichem_smiles | 26 |
CC(N)NCCC[C@H](N)C(=O)O | unichem_smiles | 19 |
OC(=NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(S)=NCc1ccccc1Br | unichem_smiles | 36 |
CN(C)Cc1ccc(C(=N)O)cc1NCc1cncc2ccccc12 | unichem_smiles | 27 |
COC(=O)c1cc(C)n(CCn2cnc3c(C)cccc3c2=O)n1 | unichem_smiles | 33 |
N#Cc1ccc2c(c1)C1COCCC1N2 | unichem_smiles | 19 |
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCNCCNc3ccc4c(=O)c(C(=O)O)cn(CC)c4c3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)N=C(O)[C@H](C)[C@@H](O)[C@]1(C)O | unichem_smiles | 172 |
Cn1nccc1CCC(=O)N1CCCN(c2ncc(F)cn2)CC1 | unichem_smiles | 28 |
O=C(O)C1(CNc2ccc(Br)cc2[N+](=O)[O-])CC1 | unichem_smiles | 30 |
CC(C)[C@@H](N=C(O)C1CC1c1c(F)cccc1Cl)C(=O)O | unichem_smiles | 34 |
CNC(c1cnccn1)c1cc(I)ccc1Br | unichem_smiles | 19 |
CC1(Oc2cc(C(F)(F)F)c(Cl)cn2)CCN(Cc2cc(F)c(C(O)=NC3CC3)cc2C2CC2)CC1 | unichem_smiles | 53 |
O=C1C=CC[C@H](C[C@@H]2C[C@H](O)[C@H](O)[C@H](/C=C/c3ccccc3)O2)O1 | unichem_smiles | 53 |
CC(=O)N(CCc1ccccc1)CC(O)=NCc1nc2ccccc2n1C | unichem_smiles | 29 |
CC1(C)CC(=O)c2cc(C(O)=NC3(C)CCCC3)c(O)nc2C1 | unichem_smiles | 34 |
Cc1ccc([C@]2(C)N=C(O)N(CC(=O)N3CCC[C@@H]3C(=O)O)C2=O)cc1 | unichem_smiles | 48 |
C=C(C)COc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 | unichem_smiles | 32 |
Cc1cc(=[NH+]C[C@H]2CN(C)CCN2C)[nH]c(C)[nH+]1 | unichem_smiles | 37 |
CN=c1nc(N2CCC(N(C)C)CC2)cc(C)[nH]1 | unichem_smiles | 27 |
OC(=Nc1ccc(O)c(Cl)c1)c1ccc(O)cc1O | unichem_smiles | 26 |
FCc1cc(F)c(F)c(C(F)F)c1 | unichem_smiles | 21 |
N#Cc1ccc(-c2ccccc2N(c2ccc(C#N)cc2)c2ccc(C#N)cc2)cc1 | unichem_smiles | 38 |
CCC(C)C(NC(C)C)c1nc(C(C)(C)C)cs1 | unichem_smiles | 26 |
CCCCCC1(CC2(CC3(CC4(Cc5ccccc5)c5ccccc5-c5ccccc54)c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 | unichem_smiles | 67 |
OCCc1cn(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)nc1C(F)(F)F | unichem_smiles | 40 |
COC(=O)CCCCN=C(O)Nc1cccc([C@@H](C)SC)c1 | unichem_smiles | 28 |
CCN(CC)[C@@H]1CCN(C(=O)C2CCN(c3nc[nH+]c4ccccc34)CC2)C1 | unichem_smiles | 42 |
c1ccc(C(c2ccccc2)N2CCN(CCCCn3cccn3)CC2)cc1 | unichem_smiles | 29 |
CCCCCC(O)=NC(=O)OCC1c2ccccc2-c2ccccc21 | unichem_smiles | 24 |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCCC)COP(=O)(O)OCCN | unichem_smiles | 81 |
COc1nc(Cl)nc(=NCc2cnccc2C)[nH]1 | unichem_smiles | 22 |
CC(O)=NC1CCN(C(O)=Nc2cccc(N3CCC(C)CC3)c2)CC1 | unichem_smiles | 32 |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | unichem_smiles | 94 |
O=S(=O)(Nc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)ccc1Cl)c1ccc(F)cc1 | unichem_smiles | 44 |
CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1.COP(=O)(OC)OC(Br)C(Cl)(Cl)Br | unichem_smiles | 44 |
CC1=CC(=O)C(=C2C=CN=C(N3c4ccccc4C[C@H]3C)N2)C(=O)O1 | unichem_smiles | 45 |
CC[C@H](CC#N)N=C(O)c1cnc(I)c(O)c1 | unichem_smiles | 29 |
CCCCCCCC/C=C\CCCCCCCCCCOCC(CO)OC(=O)CCCCCCCCCCCCCCCCC | unichem_smiles | 25 |
CCOC(=O)C1=C(C)N=C(O)N[C@@H]1c1coc2cc(C)cc(C)c2c1=O | unichem_smiles | 44 |
N#Cc1ccccc1C(Cl)C#N | unichem_smiles | 15 |
CSCC[C@H](C(O)=NC[C@H]1COc2ccccc2O1)N1C(=O)[C@H]2CCCC[C@H]2C1=O | unichem_smiles | 50 |
CCCCCc1cc(O)c(-c2cccc(C)c2)c(O)c1CN(C)C(=O)OCC(C)(C)C | unichem_smiles | 42 |
CCc1cc(N(CC)CCc2nccs2)nc(-c2ccccn2)n1 | unichem_smiles | 27 |
COc1ccc(C(O)=NCC(O)=N[C@@H](c2ccc(F)cc2)c2cccs2)cc1OC | unichem_smiles | 38 |
OC(=NCC(O)c1ccc(OC(F)F)cc1)Nc1ccc(N2CCCC2)nc1 | unichem_smiles | 33 |
COc1c(Br)cc(C)c(C(C)CN)c1OC | unichem_smiles | 22 |
Cn1cc(C2CCCN2CCC(O)=NC(O)=Nc2ccccc2)cn1 | unichem_smiles | 27 |
CC1CN(Cc2coc(-c3cccs3)n2)CCCO1 | unichem_smiles | 21 |
CCOC(=O)[C@H]1CCCN(Cn2c(=O)n(C)c3ccncc32)C1 | unichem_smiles | 35 |
CCN(CCC1CCCO1)CC(C)C(=N)N | unichem_smiles | 19 |
CC1(C(O)=NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)COC1 | unichem_smiles | 35 |
O=C1[C@@H](CC[C@H](O)C2=CCC(F)C=C2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 | unichem_smiles | 57 |
CCn1c(CC(=O)O)ccc1Sc1ccccc1 | unichem_smiles | 19 |
CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(N=CO)cc2)n[nH]1 | unichem_smiles | 35 |
Cc1cccc(C)c1OC[C@@H](C)N=C(O)CCn1cccn1 | unichem_smiles | 29 |
Oc1cc(F)cc(CNCCOc2ccc(Cl)cn2)c1 | unichem_smiles | 23 |
CC1=CC(=NN=C2C(=O)c3ccc(NN=C4C=CC(=O)C=C4)cc3C=C2SOOO)C(=O)C=C1NNc1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(SOOO)c1.[Cu] | unichem_smiles | 98 |
CC1=C2O[C@]3(O)C=C2C(=C(O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C | unichem_smiles | 90 |
CCO.N#CBr.N#CCc1ccccc1.N=C(Cc1ccccc1)NO.NO.Nc1ccccc1 | unichem_smiles | 38 |
CC(C)(C)OC1CC2C(=O)OCC1(C)CC2O | unichem_smiles | 24 |
OC(=NC1(c2nccs2)CCCC1)c1csc2ccccc12 | unichem_smiles | 24 |
CCC1(C(O)=NC(C)(C)C)CCNC1 | unichem_smiles | 18 |
COc1cc(CN(C)Cc2ccc(OC(F)F)cc2)ccc1O | unichem_smiles | 26 |
Cc1cccn2nc(-c3ccccc3)c(CO)c12 | unichem_smiles | 20 |
CCCC(CC)Nc1ccc(OC)c(O)c1 | unichem_smiles | 17 |
Cc1cccc(N)c1-c1nnnn1CC1(C)CCCCC1 | unichem_smiles | 23 |
CCCCCCCC/C=C\CCCCCC(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC | unichem_smiles | 27 |
CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1OC | unichem_smiles | 40 |
COc1cc(-c2ccc(-c3cnc(N(C)[C@H]4CC5CC(F)(F)C(C4)N5)cn3)c(O)c2)cnn1 | unichem_smiles | 52 |
Nc1ccc(-c2cccc3sc4nccn4c23)cc1 | unichem_smiles | 20 |
CCN1CCCCCN(C(=O)COc2ccc(Cl)cc2)[C@H](Cc2ccccc2)COc2ccccc2C1=O | unichem_smiles | 42 |
Cn1cc(CN2CCCN(CCN3CCCCC3)CC2)cn1 | unichem_smiles | 22 |
Cc1nn(-c2ccccc2)c2sc(C(=O)C(C#N)C(O)=NC3CCCCC3)cc12 | unichem_smiles | 38 |
CCCCOC(=O)C1=C(C)N=C2N=C(SCC)NN2[C@@H]1c1ccco1 | unichem_smiles | 37 |
OC(Cc1cc(F)ccc1F)c1cc(F)cc(Br)c1 | unichem_smiles | 25 |
N#CC1=C(N=C(O)COc2ccc(Cl)cc2Cl)OCC1 | unichem_smiles | 27 |
COc1ccc(-n2c(-c3ccc(I)c(F)c3)nc(C(=O)N3CCCCC3)c2C)cc1 | unichem_smiles | 41 |
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