text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
O=C(C1CCCN1C1CC1)N1CCC(Cn2ccnn2)CC1 | unichem_smiles | 27 |
CN(CCC[N+]1(C)CCOCC1)c1ccc(N)cc1N | unichem_smiles | 25 |
O=C(O)c1c[nH]c2ccc(Nc3ccccc3)cc2c1=O | unichem_smiles | 30 |
O=C(CCCCCCOc1c(Cl)ccc2c1CN1CC(O)=NC1=N2)N(CCO)C1CCCCC1 | unichem_smiles | 39 |
COCCN(Cc1cccnc1)C(C)(C)C | unichem_smiles | 18 |
COc1cc2c(cc1O)-c1nccc(C)c1C2=O | unichem_smiles | 24 |
CC(C)Oc1cc(-c2cnn(C)c2)cc(C(C)(C)C)n1 | unichem_smiles | 31 |
CC(C)NC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)cc1 | unichem_smiles | 40 |
CSc1ccc2nc(N(CC3CCCO3)C(=O)c3ccc(S(=O)(=O)N4CCCCC4C)cc3)sc2c1 | unichem_smiles | 46 |
COc1cccc(CN=C(O)c2cc3c[nH]nc4c-3c2CCC=C4)c1 | unichem_smiles | 34 |
COCC(=O)O[C@]1(CCN(C)CCCCCCCc2nc3cc(C)c(C)cc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | unichem_smiles | 60 |
CCOC(=O)CC(N=C(O)C(C)c1c(C)noc1C)c1ccc(F)cc1 | unichem_smiles | 37 |
Cn1ccc(C(=O)N2CCc3ccccc3C2)cc1=O | unichem_smiles | 25 |
COc1cccc(-c2cc(C3(c4ccccc4)COC(=N)N3)ccc2C)c1 | unichem_smiles | 33 |
CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CCCO.[Sn+4] | unichem_smiles | 35 |
COc1cc(Br)c(C(Br)C2CCC(C)CC2)cc1OC | unichem_smiles | 25 |
O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@H]2CCCC[C@H]21 | unichem_smiles | 35 |
COCCN(CCO)c1nc2ccccc2s1 | unichem_smiles | 16 |
O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-] | unichem_smiles | 62 |
O=C(O)CSCC(Cc1ccccc1)NCCS | unichem_smiles | 19 |
CC(C)(C)C(CCO)NCCOc1cccc(C(=O)O)c1 | unichem_smiles | 27 |
O=C1C=CC(=O)N1c1ccc2ccc3c(N4C(=O)C=CC4=O)ccc4ccc1c2c43 | unichem_smiles | 43 |
CC(=O)N1CCN(c2ccc(C(C)N)cc2Cl)CC1 | unichem_smiles | 26 |
Cc1cc(CSc2ncccc2C(=O)O[C@@H]2CCOC2=O)no1 | unichem_smiles | 31 |
CCCCCCCC/C=C\CCCCCCCCCC/C=C\OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCC | unichem_smiles | 33 |
COc1cc(C(O)=Nc2nc(-c3cccc(F)c3)cs2)c([N+](=O)[O-])c(OC)c1OC | unichem_smiles | 44 |
CCOCCC1(CNC(=NC)NCCC(OCC)C(C)C)CCCC1 | unichem_smiles | 25 |
Cc1nn(CC(C)C)c(C)c1CCC(O)=N[C@@H]1C[C@H]1c1cccc(F)c1 | unichem_smiles | 43 |
C=CCCC(O)=N[C@@H](COC)[C@@H](OC(=O)[C@@H]1[C@@H]2CC[C@]3(O2)[C@H](C(=O)N(CC=C)Cn2nnc4ccccc42)N(CCCCO)C(=O)[C@@H]13)c1ccccc1 | unichem_smiles | 91 |
Cc1ccc(N2C[C@@H](NC(O)=NC[C@@H](C)O)CC2=O)cc1 | unichem_smiles | 34 |
O[C@@H]1C=C[C@@H](O)C1 | unichem_smiles | 19 |
CCSC1CCCC(N=C(O)[C@@H]2CC[C@H](C(=O)O)C2)C1 | unichem_smiles | 34 |
CC(C)C(=O)N1CCC[C@@H]1C(O)=Nc1cc(F)ccc1F | unichem_smiles | 32 |
C=CCN1CCC(NC(CC)c2cccc(Cl)c2)CC1 | unichem_smiles | 22 |
CO[Si](=C=C=[Si](C#C[Si](OC)=[O+]C)C#C[Si-](OC)OC)OC | unichem_smiles | 37 |
CSc1ccccc1OCc1nc(Cl)ccc1Cl | unichem_smiles | 16 |
C[C@@H]1CN(C(O)=N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C[C@@H](C)O1 | unichem_smiles | 51 |
COc1ccc(C(=O)N2CCCC2)cc1N=C(O)C=C(C)c1cccc(F)c1 | unichem_smiles | 37 |
N#C[C@H]1C(SCc2ccccc2Cl)=NC(O)=C[C@H]1c1ccc(F)cc1 | unichem_smiles | 38 |
CC(O)=NCCCNCc1ccc([N+](=O)[O-])c(Cl)c1 | unichem_smiles | 26 |
CC1(C)c2ccccc2N=C2N1c1cc(-c3ccccc3)cc3c1N2C(C)(C)c1ccccc1-3 | unichem_smiles | 45 |
OC(=Nc1cccnc1OCC(F)F)c1cnsn1 | unichem_smiles | 22 |
CC.CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1 | unichem_smiles | 66 |
C[C@@H]1C2CCCCC(CCCI)C2CCC2C3CCCCC21C1(CC3)CC1 | unichem_smiles | 32 |
COc1ccccc1[C@@H]1c2sc(=O)n(CC(O)=Nc3cccc(C(F)(F)F)c3)c2S[C@@H]2[C@@H]3CC[C@H](C3)[C@H]12 | unichem_smiles | 70 |
Cn1cc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)c2ccccc21 | unichem_smiles | 40 |
CC(C)(C)c1ccccc1OCC(O)=NCc1ccc(N=C(O)c2ccncc2)cc1 | unichem_smiles | 36 |
CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3O)(C2(O)C(CO)OC(O)(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O | unichem_smiles | 119 |
Cc1cccnc1NC(O)=NCCN1CCOCC1 | unichem_smiles | 18 |
Cc1noc(C(C)C)c1C(=O)O[C@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 | unichem_smiles | 49 |
CCCN=C(O)[C@H](C)Oc1ccc(C=O)cc1Br | unichem_smiles | 25 |
OC(=Nc1ccc2nc(N3CCOCC3)oc2c1)c1nc(Cl)ccc1Cl | unichem_smiles | 31 |
C[C@H](CC(C)(C)S(N)=O)c1ccc2nn[nH]c2c1 | unichem_smiles | 31 |
Cc1cc2nc3cc(C)c(=NC(=O)OC(C)(C)C)cc-3n(-c3ccccc3)c2cc1N(CCCN)C(=O)OC(C)(C)C.Cl | unichem_smiles | 61 |
Cc1ccccc1OC(C)CN=C(O)CSc1nncs1 | unichem_smiles | 22 |
COCc1cccc(OC(=O)Cc2cc3ccccc3nc2O)c1 | unichem_smiles | 25 |
Cc1cc(-n2ccnc2)cc2c1NC(=C1C(=O)N=CC=C1NCC(O)c1ccc(NS(C)(=O)=O)cc1)N2 | unichem_smiles | 54 |
O=C(Oc1cccc2ccccc12)c1nn(CCCCCF)c2ccccc12 | unichem_smiles | 25 |
C[C@@H](Cc1ccsc1)NC(O)=NC[C@@]1(N(C)C)CCc2ccccc2C1 | unichem_smiles | 38 |
COC(=O)N(C)c1ccc(NC(=O)c2ccnnc2)cc1 | unichem_smiles | 28 |
C[NH2+]C(=O)c1ccc(CN(C)CC(O)=NC(C)c2cccs2)cc1 | unichem_smiles | 35 |
CCN(CC(O)=NCC(=O)N1CCCC1)CC(C)(C)O | unichem_smiles | 25 |
CSc1nc(SCC(=N)O)c2c3c(sc2n1)COC(C)(C)C3 | unichem_smiles | 33 |
C=CCc1ccc2oc(-c3ccc(-c4nc5cc(CC=C)ccc5o4)s3)nc2c1 | unichem_smiles | 35 |
COc1cc(C)ccc1C(CN)C1CCC1 | unichem_smiles | 17 |
C=CCOc1ccc(-c2nc3cnncc3[nH]2)c(OC)c1 | unichem_smiles | 28 |
NCc1cccc(CS(=O)(=O)CCC(=O)O)c1 | unichem_smiles | 22 |
O=C(O)C=CC(=O)O.OCCN1CCN(C(c2ccccc2)c2cccc(-c3ccc(F)cc3)c2)CC1 | unichem_smiles | 48 |
CC(Sc1cccc(N=C(O)c2cccc([N+](=O)[O-])c2)c1)C(O)=Nc1ccc(O)c(C(=O)O)c1 | unichem_smiles | 53 |
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CC/C=C/CCCCCCCCCCCCCCCCCC | unichem_smiles | 94 |
Cc1ccc(OCC(=O)N(C)Cc2ccc(F)cc2)c2c1[C@H](C)CC2=O | unichem_smiles | 40 |
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(O)=NC(COP(=O)(O)OCC(O)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)C(=O)O | unichem_smiles | 67 |
Cc1ccc2c(c1)C(=O)CC[S+]2N | unichem_smiles | 22 |
O=[N+]([O-])c1ccc(Sc2ncc[nH]2)c(Cl)c1 | unichem_smiles | 29 |
N#Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1CNCNC=N | unichem_smiles | 28 |
O=C1CCc2cc(S(=O)(=O)[N-]c3cc4c(cc3Cl)OCCCO4)ccc2N1 | unichem_smiles | 39 |
[Li].[O]S(=CCc1ccccc1)c1ccccc1 | unichem_smiles | 20 |
CC(O)C(Cl)C1OCCO1 | unichem_smiles | 14 |
C=CC(CC)C(=O)OOC(=O)C1(CC)N=N1 | unichem_smiles | 26 |
CCCCCCCCOc1cc(C)c(N=N)c(OC)c1 | unichem_smiles | 21 |
COc1cc(CN=C(O)CNC[C@H]2CCCO2)cc(OC)c1OC | unichem_smiles | 30 |
CC(C)(C)c1ccc(-c2noc(CN3CCC(C(O)=NCCN4CCOCC4)CC3)n2)cc1 | unichem_smiles | 40 |
CNCc1ccc(Oc2cccc(C)c2C)c(Cl)c1 | unichem_smiles | 23 |
O=C1N=C(O)c2ccc(N=C(O)Nc3ccc4sccc4c3)cc21 | unichem_smiles | 33 |
CCc1ncc(S(=O)(=O)NC(C)Cc2ccccc2)[nH]1 | unichem_smiles | 29 |
CCOc1cccc(CNc2cccc(CS(=O)(=O)NC(C)CC)c2)c1 | unichem_smiles | 30 |
O=C(CCc1ccccc1F)N1CCC(c2nc(C(O)=Nc3ccccc3-c3ccc(OC(F)(F)F)cc3)cs2)CC1 | unichem_smiles | 51 |
CCOCCN(CCOCC)c1cccc(F)n1 | unichem_smiles | 17 |
CN(Cc1csc(COc2ccc(Cl)cc2)n1)Cc1nc[nH]n1 | unichem_smiles | 31 |
COc1ccc(C(C)(C)C)cc1NCC(O)=Nc1ccc2c(c1)OCO2.O=C(O)C(=O)O | unichem_smiles | 46 |
Cc1ccc([C@H](C[NH+]=C(O)c2cc3ccccc3o2)N(C)C)cc1 | unichem_smiles | 36 |
C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 | unichem_smiles | 53 |
CC=O.N=CO.N=CO | unichem_smiles | 11 |
CCCNC(Cc1ccc(C)cn1)C1C2CCCC21 | unichem_smiles | 19 |
CC(=O)c1cnn(C2=CC3CN(C2)C(=O)N3OSOOO)c1 | unichem_smiles | 33 |
COc1ccc(N=C(O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1Cl | unichem_smiles | 35 |
CN(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 | unichem_smiles | 22 |
COc1ccc(C2CC(c3c(O)c4ccccc4c4nc5ccccc5nc34)Nc3c2c(=O)n(C)c(=O)n3C)cc1 | unichem_smiles | 55 |
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 | unichem_smiles | 36 |
CSCCCCNCCOC(=N)O | unichem_smiles | 10 |
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