text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
N=c1ccn2cc(-c3ccc(Cl)s3)nc2[nH]1 | unichem_smiles | 25 |
Cc1nc(Oc2ccc(NC(=O)c3cnoc3C)cc2)cc(-n2ccnc2)n1 | unichem_smiles | 35 |
CCOC(=O)CN1CCC(N=c2[nH]c(-c3ccc(C=NN)cc3)cs2)CC1 | unichem_smiles | 36 |
Cc1cc(CC(O)=Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)n[nH]1 | unichem_smiles | 38 |
COc1ccccc1-c1cc2nc(C)c(CCC(O)=NCCN3CCOCC3)c(C)n2n1 | unichem_smiles | 38 |
COc1cc(C)c(NC(=O)C2(N(C)C)CCC2)c(C)c1 | unichem_smiles | 32 |
CC(=O)c1ccc(Oc2ccc(C(=O)OCc3cnco3)cc2)cc1 | unichem_smiles | 31 |
CCOc1cc([C@H]2C(C(O)=Nc3cccc(C)c3C)=C(C)N=C3N=C(SCc4ccccc4Cl)NN32)cc(Br)c1OCc1ccccc1 | unichem_smiles | 63 |
CCCCN(CC)C(=O)c1ccc2[nH]c(-c3cc(C(C)C)cc(C(C)C)c3)c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 | unichem_smiles | 66 |
COC(=O)CN=C(O)c1ccccc1/C=C/[C]=O | unichem_smiles | 25 |
CCCN=C(O)c1cccc(N=C(O)C(C)N2CCC(C(O)=NCCC(O)=Nc3ccc(F)c(N=C(O)c4cccc(C)c4)c3)CC2)c1C | unichem_smiles | 67 |
Cc1c(O)cccc1CCCCCCC(=O)O | unichem_smiles | 16 |
CSCC[C@@H](c1nc2c3c(C)c(C)n(CC(C)C)c3ncn2n1)N1C(=O)c2ccccc2C1=O | unichem_smiles | 53 |
CCNc1cc(C2CCCC2)nc2c(F)cc(F)c(Br)c12 | unichem_smiles | 27 |
CCCC(NCCc1ncno1)c1ccc(Cl)cc1 | unichem_smiles | 18 |
COc1cc(-c2noc(CN(C)CCC(=O)O)n2)ccc1OC(F)F.Cl | unichem_smiles | 33 |
N=C(Cc1ccccc1[N+](=O)[O-])C(=O)O | unichem_smiles | 26 |
O=C(O)[C@@H](Cc1ccccc1)N=C(O)Cc1ccc([N+](=O)[O-])cc1 | unichem_smiles | 39 |
O=[N+]([O-])C=Cc1ccc(N2CCCCC2)o1 | unichem_smiles | 24 |
Cc1ccc([N-]C(=O)[C@H]2CC[C@H](C[NH2+]c3c([NH+]4CCC(C)CC4)c(=O)c3=O)CC2)cc1F | unichem_smiles | 61 |
CCCOC1(OCCN)CCN(N=[N+]=[N-])C1(OCCN=C(C)O)C(=O)O | unichem_smiles | 39 |
CC(=O)c1c(-c2ccc(C([O-])=Nc3ccccn3)cc2)nc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1N.CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c(C(=O)O)n1N.O.[Li+] | unichem_smiles | 117 |
COc1cccc(Cn2cc(N=C(O)C(C)n3ncc(Cl)c3C)cn2)c1 | unichem_smiles | 36 |
CCCCOC(=O)C(C)n1c(C)nc2sc(CC)cc2c1=O | unichem_smiles | 28 |
CCCC1CCCCN1C(O)=Nc1sccc1C(=O)O | unichem_smiles | 21 |
CCSCCCNC(CC)(CC)CC | unichem_smiles | 10 |
CC(C)C(NC(=N)O)C(O)=NC1CCOc2ccccc21 | unichem_smiles | 26 |
C=CCN(C)C(C)C(O)=Nc1cc(F)ccc1C | unichem_smiles | 25 |
CCCCCCCCCCCCCCCC(=O)OC1CCCC[C@@H]1Cc1ccc(OC/C(C)=C\C(=O)OCC)cc1 | unichem_smiles | 40 |
Cc1cc(O)c2cccc(C(=O)N3CCn4nc([C@H](C)O)cc4C3)c2n1 | unichem_smiles | 40 |
Cc1ccc(-c2nn(-c3ccccc3)cc2C(O)=NCC(N)C2CC2)c(C)c1 | unichem_smiles | 37 |
CCOc1ccc2c(c1)CN(C(=O)c1ccccc1-c1nnc(C)o1)CC2 | unichem_smiles | 36 |
CC(O)=Nc1ccc(NC(=O)C(C)OC(=O)c2cccc(N(C)C)c2)cc1 | unichem_smiles | 38 |
CC(C)(C)OC(=O)N1CCC([C@@H](O)C2CCCCC2)C1 | unichem_smiles | 29 |
COC(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC(C)C)cc1C | unichem_smiles | 37 |
CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(O)=Nc1cccc(F)c1 | unichem_smiles | 47 |
COCCOCCC(O)=NCC1CCN(c2ccc(Cl)cc2)C1 | unichem_smiles | 24 |
COCCNS(=O)(=O)c1cccc(CNCc2ccc(F)cc2F)c1 | unichem_smiles | 28 |
C1CO1.CCO | unichem_smiles | 7 |
CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1ccc(F)cc1 | unichem_smiles | 46 |
CCS(=O)(=O)N1CCC(Cc2nncn2CC2CC2)C1 | unichem_smiles | 27 |
N=C(O)[C@@H]1CC(=O)N(c2cccc(-c3nc4ccccc4s3)c2)C1 | unichem_smiles | 37 |
CCOC(=O)C(C#N)CCCCN.Cl | unichem_smiles | 16 |
Cc1c(N=C(O)CN2CCC(C(O)=NCC(O)=Nc3ccc(Br)cc3F)CC2)cccc1C(O)=NC(C)C | unichem_smiles | 49 |
CCC(C)CS(=O)(=O)C(C#N)CC | unichem_smiles | 19 |
OC(=NCCN1CCNCC1)Nc1ccccc1C(F)(F)F | unichem_smiles | 25 |
OC(CC[C@@H](O)c1ccc(F)cc1)=NCc1ccco1 | unichem_smiles | 25 |
CC(C)C=O.CCCC(C)C=O | unichem_smiles | 15 |
COC(O)=Nc1ccc(Oc2ccc(Oc3ccc(N=C(O)OC)cc3C(F)(F)F)cc2)c(C(F)(F)F)c1 | unichem_smiles | 53 |
O=C(O)C1CCN(Cc2cccc(F)c2F)C1 | unichem_smiles | 24 |
CC[C@H](NCc1ccc(F)cc1C)c1cccs1 | unichem_smiles | 22 |
CCOC(=O)C(C#N)=C1CCS(=O)(=O)CC1 | unichem_smiles | 25 |
CCNc1c(F)cc(C(O)=Nc2nc(C)c(C)s2)cc1F | unichem_smiles | 31 |
CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(C)=C1CCCC1 | unichem_smiles | 34 |
Cc1cccc(C(C)C)c1NC(O)=NCc1cccc(OC(F)(F)F)c1 | unichem_smiles | 32 |
COc1ccccc1C1(C)CCc2oc3ccc(C)cc3c2-c2oc(C)cc21 | unichem_smiles | 33 |
[N-]=[N+]=NS(=O)(=O)C=CC=CC=Cc1c(F)cccc1F | unichem_smiles | 32 |
O=[N+]([O-])c1ccc(-c2n[nH]c(O)n2)cc1 | unichem_smiles | 29 |
Cc1ccccc1C(C)CC(O)=Nc1ccccc1NC(O)=NC(C)C | unichem_smiles | 29 |
CC(C)N=C(O)N(CC(=N)O)[C@H]1CCCNC1 | unichem_smiles | 27 |
CC(C)CN=C(O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)O)c1 | unichem_smiles | 40 |
Cc1ccc(-c2nnn(CC(=O)c3ccc(Cl)s3)n2)cc1 | unichem_smiles | 29 |
O[C@H]1CN[C@H](c2nc(Cc3ccccc3)no2)C1 | unichem_smiles | 29 |
CCC(C)C(CO)c1ccc(Br)cc1 | unichem_smiles | 16 |
Clc1cccc(C(c2ccncc2)c2cnc[nH]2)c1Cl | unichem_smiles | 27 |
CCOC(=O)CCN(C)Cc1nnc(C(=O)NCc2ccc(C)cc2)s1 | unichem_smiles | 34 |
O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCc1nnc2n1CCCCC2 | unichem_smiles | 36 |
CCc1ccc(C(=O)NCC(CC)CCN)cc1 | unichem_smiles | 20 |
CC1(CN)CCN(CC(O)=Nc2cc(C(F)(F)F)ccc2Cl)C1 | unichem_smiles | 31 |
O=C(c1ccc(=NCCN2CCOCC2)[nH]n1)N1CCN(c2ccccc2)CC1 | unichem_smiles | 37 |
Cc1ccc(-c2nc(C(=O)N3CCCC3c3noc(C(C)C)n3)cs2)c(C)c1 | unichem_smiles | 41 |
CCN(Cc1ccccc1C)C(=O)N=c1ccn(CCc2ccncc2)[nH]1 | unichem_smiles | 35 |
CC(NOCC(=N)O)C(C)(C)O | unichem_smiles | 17 |
CS(=O)(=O)Nc1cc(-c2cnc3[nH]cc(-c4cnn(Cc5cccc(F)c5)c4)c3c2)ccc1N1CCOCC1 | unichem_smiles | 55 |
C[C@@H](c1ccccn1)N(C)C(O)=NN=C(O)CCCc1ccccc1 | unichem_smiles | 32 |
Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@@H]1C1CCCCC1 | unichem_smiles | 39 |
C[C@H](C(O)=Nc1ccc2nccnc2c1)C1CNC1 | unichem_smiles | 27 |
O=c1ccc2ncc(OCCN3CCC(N=C(O)c4ccc5c(c4)N=C(O)CS5)CC3)[nH]c-2c1 | unichem_smiles | 50 |
CCC(c1c(C(=O)O)c2ccccc2n1C(=O)c1c[nH]c2ccccc12)N1CCN(C)CC1 | unichem_smiles | 47 |
OCC1(CN=C(O)Cn2cc3ccccc3n2)CCCC1 | unichem_smiles | 23 |
CO[Si](C)(OC)c1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F | unichem_smiles | 96 |
CCN(CCS(C)(=O)=O)C(=O)Nc1ccc(N(C)C)cc1 | unichem_smiles | 31 |
O=S(=O)(c1ccc(CCC(O)=NCc2ccnc(-n3ccnc3)c2)cc1)N1CCCCCC1 | unichem_smiles | 38 |
CC(C)(C)OC(O)=NC(=NCC1OC(OC2C(N=C(N=C(O)OC(C)(C)C)N=C(O)OC(C)(C)C)CC(N=C(N=C(O)OC(C)(C)C)N=C(O)OC(C)(C)C)C(OC3OC(CSCCOCCS)C(O)C(N=C(N=C(O)OC(C)(C)C)N=C(O)OC(C)(C)C)C3O)C2O)C(N=C(N=C(O)OC(C)(C)C)N=C(O)OC(C)(C)C)CC1O)N=C(O)OC(C)(C)C | unichem_smiles | 197 |
CC.CC1CC=C(C2CCC(C3=CCC(C)CC3)C(F)C2F)CC1 | unichem_smiles | 32 |
CN=c1cc[nH]cc1C(O)=NCc1cccc(F)c1 | unichem_smiles | 24 |
N#C[C@@H]1C(O)=NC(=S)[C@H](C(=N)O)C12CCCCC2 | unichem_smiles | 34 |
Cc1cc(C)c(N=C(O)c2cccc(C(O)=Nc3cccc(C#N)c3)c2)c(C)c1 | unichem_smiles | 44 |
CCOC(=O)c1ccc(N2CCCCC2N)cc1Cl | unichem_smiles | 20 |
CNCCN(CCCC[C@H](NC1CCc2ccccc2N(CC(=O)O)C1=O)C(=O)O)C(=O)CCCCCc1c(-c2cccnc2)n(C)c2ccc(Cl)cc12 | unichem_smiles | 68 |
CC(C)CC(C)N(C)C(=O)OC(C)(C)C | unichem_smiles | 24 |
Cc1cccc(CC(=O)N2CCC(C(O)=NC3CCCCCC3)CC2)c1 | unichem_smiles | 29 |
CCCCCCCOc1ccc(CCC(C(=O)O)C(=O)O)cc1 | unichem_smiles | 25 |
C#CCNC1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21 | unichem_smiles | 41 |
Cc1cccc(N2CN=c3sc(=Cc4cccc(Br)c4)c(=O)n3C2)c1 | unichem_smiles | 36 |
CSCCN1C[C@]2(CC[C@@](c3ccccc3)(N(C)C)CC2)N=C1O | unichem_smiles | 36 |
CCCCCCCC[N+](C)(C)CCCN=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | unichem_smiles | 42 |
Cc1cc(F)c(N=C(O)C2(N)CCOC2)cc1F | unichem_smiles | 27 |
CCc1[nH]nc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)C[C@H]2CCCO2)c1C | unichem_smiles | 46 |
CN(C(=O)C1CCCCC1)[C@@H]1CNC[C@H]1O | unichem_smiles | 27 |
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