text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
Fc1ccc(-c2n[nH]cc2CN=c2[nH]nc(C3CC3)o2)cc1 | unichem_smiles | 33 |
CCN(CC)CCCC(C)NC(=NC)NCC1CCCCN1CC | unichem_smiles | 21 |
CCn1cc(S(=O)(=O)[N-]c2nc(-c3cc4ccccc4o3)cs2)cn1 | unichem_smiles | 35 |
CC(Cc1c(Cl)cccc1Cl)N=C(O)NC(C)COC1CCOC1 | unichem_smiles | 29 |
CC(C)(C)C1CCC(CN)C(Cc2ccccn2)C1 | unichem_smiles | 23 |
COc1ccc(-c2oc(-n3cc4c5ccccc5n(C)c4c3-c3ccc(OC)cc3)c3c4ccccc4n(C)c23)cc1 | unichem_smiles | 52 |
COc1cc(C=CC2=NC(=O)N=C(O)C2[N+](=O)[O-])ccc1OCCc1ccccc1 | unichem_smiles | 42 |
CCC1(C)Cc2nc(C(C)C)c(C=O)c(C3=CCOCC3)c2C(O)C1 | unichem_smiles | 40 |
C[C@@H]1CN(Cc2cnn3c2CCCC3)C[C@H]1c1nc2n(C3CCCC3)[nH]cc-2c(=O)n1 | unichem_smiles | 51 |
CN=c1[nH]c(C2CC2)nc(-c2cc(F)ccc2C)c1C | unichem_smiles | 30 |
COC(=O)/C(=C\NCCc1c[nH]c2ccccc12)[N+](=O)[O-] | unichem_smiles | 35 |
N#CCN=C(O)C(CSCc1ccccc1)N=C(O)N1CCOCC1 | unichem_smiles | 31 |
Clc1ccc(-n2ncc3c(Cl)ncnc32)c(Cl)c1 | unichem_smiles | 24 |
CCn1c(SCC(=O)N(C)Cc2ccc(Br)cc2)nnc1-c1ccccc1 | unichem_smiles | 34 |
CC(=O)N1c2ccccc2C[C@H]1C(O)=Nc1cccc(C(F)(F)F)c1 | unichem_smiles | 38 |
O=C1CCCC1C1CCCN1C(O)=NC1CCOC1 | unichem_smiles | 20 |
CSCCCCCCNC(C)CC1COCCN1 | unichem_smiles | 13 |
CC(C)CC(=O)N(C)S(=O)(=O)c1ccccc1.CC(C)CC(=O)N1Cc2ccccc2C1 | unichem_smiles | 46 |
C=CCOC(=O)N1c2cc(OCCCC(O)=Nc3cc(C(=O)Nc4cn(C)c(C(=O)NCCCN=C(C)O)n4)n(C)c3)c(OC)cc2C(=O)N2CCCC2C1OC1CCCCO1 | unichem_smiles | 85 |
Cc1cc(C)cc(OCC(O)CN2Cc3ccccc3CC2c2nnc(C)o2)c1 | unichem_smiles | 36 |
CC(C)N1CC(C)(C)Cc2c(F)cc(-c3nc(Nc4ccc(CN5CCN(C)CC5)cn4)ncc3F)cc21 | unichem_smiles | 50 |
CC1=C(CC(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 | unichem_smiles | 63 |
Nc1c(OC(F)(F)F)ccc(O)c1F | unichem_smiles | 20 |
COC(=O)c1cc(NCc2cc(=O)n3ccccc3n2)ccc1C | unichem_smiles | 29 |
C=CCN(Cc1ccc(F)cc1)C(=O)C1CCNC1.Cl | unichem_smiles | 27 |
O=C(C1CSCCS1)N(Cc1ccccc1)CC(F)F | unichem_smiles | 25 |
Cc1cccc(C(=O)OCC(O)=Nc2nc(C)c(Cl)cc2Cl)c1O | unichem_smiles | 33 |
COc1ccc(Cc2c3c(c(SC)c4cccnc24)-c2cccc4cccc-3c24)cc1 | unichem_smiles | 34 |
COc1cc(CN=C(O)CN2CCC(C(O)=NCCc3cccs3)CC2)cc(OC)c1OC | unichem_smiles | 37 |
CCC1OCC1C(OC(=O)c1cccc(C(=O)OC(C2COC2CC)C2COC2CC)c1)C1COC1CC | unichem_smiles | 46 |
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 | unichem_smiles | 44 |
[Na+].[Na+].[O-]C1OC(CO)C(O)C(O)C1O.[O-]C1OC(CO)C(O)C(O)C1O | unichem_smiles | 48 |
N[C@H](CCCO)c1ccc(CO)o1 | unichem_smiles | 17 |
C=CCOc1ccc(C(=O)NCCCn2ccnn2)cc1 | unichem_smiles | 23 |
Cc1cc2c(cn1)C=C(c1cc(N=c3nc(-c4cnccn4)o[nH]3)ccc1C)C(O)N2C | unichem_smiles | 49 |
CCCCCCCCCCCCCCCCCC(=O)O.N=C(N)O.[O-2].[Zn+2] | unichem_smiles | 27 |
CCc1nc(C2CCC(c3cccc(C)c3)CC2)[nH]c1Cl | unichem_smiles | 27 |
CCCC(OC(=O)CC(CC)CC)OC(=O)C1=C(CSc2nnnn2CCN(C)C)CSC2C(N=C(O)Cc3csc(=N)[nH]3)C(=O)N12 | unichem_smiles | 68 |
N#CCCCCS(=O)(=O)N1CCCC1c1ccncc1 | unichem_smiles | 21 |
CCc1cccc(NC(=O)C(=O)N[C@H](C)CO)c1 | unichem_smiles | 27 |
Cc1ccc(C(=O)N(CC(C)C)CC2CN(CC(O)COCc3ccco3)CCO2)cc1 | unichem_smiles | 40 |
OC[C@@H]1C[C@H]1CN=c1[nH]cncc1Oc1ccc(Cl)cc1 | unichem_smiles | 34 |
COC(=O)C1(Cc2ccccc2)CC(CN=C(O)c2ccccc2Cl)=NO1 | unichem_smiles | 33 |
C[C@H](O)CN=C(O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 | unichem_smiles | 38 |
CCCC(O)=Nc1cccc(NC(O)=[NH+]C[C@@H](CC(C)C)N2CCOCC2)c1 | unichem_smiles | 38 |
Cc1cccc([C@@H]2C=C(c3ccc(F)cc3)N=C3N=CNN32)c1 | unichem_smiles | 34 |
Cc1nc2cnc(Cl)c(Br)c2n1C1CCCCC1 | unichem_smiles | 23 |
COc1ccc(-n2c(C)cc(C(=O)N3CCOC4(CCOC4)C3)c2C)cc1 | unichem_smiles | 37 |
CCC(O)=NCc1cc(S(=O)(=O)NC(C)c2ccccc2)ccc1OC | unichem_smiles | 30 |
CC(C)(C1CC(CN=C(O)c2ccc(Cl)c(F)c2)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1 | unichem_smiles | 52 |
C[C@@H]1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)[C@H]1C | unichem_smiles | 48 |
O=C(Nc1nc(C(O)=Nc2cccnc2Cl)co1)c1cccs1 | unichem_smiles | 29 |
CC1CCC(N(C)C2(CN)CCCC(C)C2C)CC1 | unichem_smiles | 23 |
O=S(=O)(NC1=NCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | unichem_smiles | 39 |
COC(=O)CC(C)N=C(O)C=Cc1ccncc1 | unichem_smiles | 25 |
COC(=O)[C@H]1CC12CCN(C(O)=NCCc1cccc(C#N)c1)CC2 | unichem_smiles | 35 |
C=NC[C@H](O)COc1ccc([N+](=O)[O-])cc1 | unichem_smiles | 26 |
CCCNC(C)(C#N)CCN(C)CC1CCCCO1 | unichem_smiles | 19 |
O=C(c1ccsc1)c1ccc(CN=C(O)c2ccccc2F)s1 | unichem_smiles | 29 |
CC(CO)SCC(=O)N1CCNCC1 | unichem_smiles | 16 |
Cc1nnnn1-c1cccc(NC2CCN(c3cccc(Cl)c3)C2=O)c1 | unichem_smiles | 32 |
CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)OC2)[C@@]1(C)C=C3 | unichem_smiles | 87 |
CC(C)(C)c1cc(CCC(=O)OCC(COC=O)(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1N | unichem_smiles | 108 |
Cc1cc(Cl)c(NCC(O)COC(C)C)cc1Cl | unichem_smiles | 24 |
CCc1cccc2c(CC(=O)N3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)c[nH]c12 | unichem_smiles | 46 |
F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F.[Al].[Al].[Al] | unichem_smiles | 38 |
C[C@]12CCCC[C@@H]1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(CF)CC[C@@H]12 | unichem_smiles | 45 |
CCCC(C(=O)O)c1cc(C#Cc2cc3c(cc2C)OCCC3(C)C)cnn1 | unichem_smiles | 37 |
O=C(c1ccnc(N2CCOCC2)n1)N1CCC(OCc2ccccc2)CC1 | unichem_smiles | 32 |
CCOC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(N=C(O)c4c(-c5ccccc5)noc4C)cn3C)cn2C)cn1C | unichem_smiles | 60 |
COc1c(O)cc(C(C)(C)C)cc1C(C)C(=O)O | unichem_smiles | 29 |
Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Br)c2ccccc12 | unichem_smiles | 29 |
COc1nn(CC(O)=N[C@H](C)Cn2nc(C)cc2C)c(=O)c2ccccc12 | unichem_smiles | 38 |
Cc1ccc(C#N)c(N2CCCC(Oc3cccnc3)C2)n1 | unichem_smiles | 27 |
O=Nc1cc2c(cc1Br)=NC(=O)C=2O | unichem_smiles | 22 |
CCOC(=O)C(C#N)=Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1 | unichem_smiles | 38 |
CCCCN(CCO)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 | unichem_smiles | 27 |
CN=C(NCCc1nc(C)c(C)s1)NCc1nc(C(F)(F)F)cs1.I | unichem_smiles | 36 |
CN(C)C(=O)CCN=C(O)N1CC(O)C[C@H]1C(=O)O | unichem_smiles | 35 |
C[C@H](C(O)=N[C@H]1CC(C)(C)Oc2cc(F)ccc21)N1CCOCC1 | unichem_smiles | 39 |
COc1cc(Cl)c(C)cc1NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 | unichem_smiles | 42 |
CCC[C@H](NC)C(=O)c1cccc2c1OCO2.Cl | unichem_smiles | 24 |
CCCC(O)=NC1Cc2cc(Cl)c(Cl)c(C(=O)O)c2OB1O | unichem_smiles | 31 |
Cc1cccc(/C(=N\O)c2ccc(Cl)cc2)c1O | unichem_smiles | 24 |
CC1=C(c2ccc(C)cc2)C2C(=O)N=C(CSc3n[nH]c(=NC4CC4)s3)N=C2S1 | unichem_smiles | 50 |
c1ccc(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4ccc(-c5nc(-n6c7ccccc7c7c(-c8cccc9c8c8ccccc8n9-c8ccccc8)cccc76)c6ccc7ccccc7c6n5)cc4)cccc32)cc1 | unichem_smiles | 91 |
CCOc1ccc(F)c(C2CC2)c1.N=C(O)Nc1ccc(Cl)cn1 | unichem_smiles | 33 |
O=C(NCc1ccccc1Oc1cnccn1)c1ccc(Cl)cn1 | unichem_smiles | 26 |
CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(Cc1ccccc1)[C@H](C[C@@H](OC(C)=O)c1nc(C(O)=N[C@@H](Cc2ccc(-c3ccccc3)cc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(Cc1ccccc1)[C@H](C[C@@H](OC(C)=O)c1nc(C(O)=N[C@@H](Cc2ccc(C(F)(F)F)cc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)... | unichem_smiles | 429 |
N#CC1(N)Cc2ccc(N)c(Br)c2C1 | unichem_smiles | 22 |
Cc1cc(C)c(-c2c(O)cc(CCSc3ncc(C)cc3Cl)oc2=O)c(C)c1 | unichem_smiles | 40 |
COc1ccccc1-c1nnc2ccc(Cl)nn12 | unichem_smiles | 18 |
CCOC(=O)N1CCN(C(=O)C(CCC(=O)O)N=C(O)c2cc(OC(C(=O)OC)c3ccccc3)c3ccccc3n2)CC1 | unichem_smiles | 60 |
CCCCOC(=O)[C@@H](CN)N=C(O)OCc1ccccc1.CCCCOC(=O)[C@@H](CNC(=O)c1cc2nccc(OC)c2s1)N=C(O)OCc1ccccc1.COc1ccnc2cc(C(=O)O)sc12.Cl | unichem_smiles | 87 |
O=C(O)c1cc(F)ccc1N=C(O)CCc1ccc(-c2ccc(O)cn2)cc1 | unichem_smiles | 36 |
C=CCOC(=O)c1sc(N=C(O)C=Cc2ccco2)nc1C | unichem_smiles | 30 |
COc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1OC | unichem_smiles | 29 |
CCC/C(=C/CN(CC)CC)CO | unichem_smiles | 14 |
CC1CCC(C(F)(F)C(F)(F)C2CCC(C3CCC(F)C(F)C3)CC2)CC1 | unichem_smiles | 38 |
Cc1ccc([C@@H]2CC(c3c(O)nc(=O)n(-c4cccc(Cl)c4)c3O)=NN2)s1 | unichem_smiles | 43 |
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