text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
CCOC(=O)c1cn(-c2nc(-c3ccccc3)cs2)nc1-c1ccccc1.COc1cc(-c2[nH]n(-c3nc(-c4ccccc4)cs3)c(=O)c2N=Nc2nccs2)cc(C)c1C.COc1ccc(-c2csc(-n3[nH]c(-c4ccccc4)c(C=Nc4nccs4)c3=O)n2)cc1.COc1cccc(-c2[nH]n(-c3nc(-c4ccccc4)cs3)c(=O)c2N=Nc2nccs2)c1.Cc1ccc(-c2[nH]n(-c3nc(-c4ccccc4)cs3)c(=O)c2N=Nc2nccs2)cc1.Cc1nc(N=Nc2c(-c3ccccc3)[nH]n(-c3nc(... | unichem_smiles | 365 |
C=C(OO)SCSCC(=O)O | unichem_smiles | 14 |
COc1cccc2c1nc(N=C(O)C(C)C)n2C | unichem_smiles | 24 |
O=C([O-])Cc1c[nH]c2ccccc12 | unichem_smiles | 20 |
CCOCCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C | unichem_smiles | 34 |
CC(O)(CCO)CC(O)=NCCCCCCN=C(O)CC(C)(O)CCO | unichem_smiles | 28 |
CCc1cccc(CC(N=[N+]=[N-])(c2ccccc2)C2(Cl)C(Cl)(Cl)OC2(Cl)Cl)c1 | unichem_smiles | 43 |
CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccccc2N(C)C)C1 | unichem_smiles | 42 |
CCCCCCOC(=O)c1cc2cc(-c3ccc4cc(O)c(C(=O)OCCCCCC)cc4c3)ccc2cc1O | unichem_smiles | 42 |
CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC1OC(CO)C(O)C(O)C1O | unichem_smiles | 70 |
C[C@@H](c1ccccc1)N(C)C[C@@H]1C[C@H](c2ccc(CO)cc2)O[C@H](c2ccc(CN=C(O)CCCCCC(O)=Nc3ccccc3N)cc2)O1 | unichem_smiles | 72 |
COc1ccccc1C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(F)c(Br)c1 | unichem_smiles | 41 |
Cc1cc(C)cc(CSCCn2cccn2)c1 | unichem_smiles | 19 |
Fc1ccc2c(c1)=N[C@@H]([C@@H]1CCCCN1CCCn1c[nH+]c[nH+]1)N=2 | unichem_smiles | 44 |
CO[C@@H](CNS(=O)(=O)c1cccnc1)c1ccsc1 | unichem_smiles | 26 |
CC(C)C(=O)N1CCN(CN2C(=O)C(=O)N(C)C2=O)CC1 | unichem_smiles | 37 |
CN(C)c1c(Cl)cccc1NC(=O)C(=O)N1CCCC1c1cnn(C)c1 | unichem_smiles | 35 |
OC(/C=C/c1ccco1)=NCC1CCC(O)C1 | unichem_smiles | 21 |
CN1CCC(CN(C)Cn2nc(-c3ccncc3)n(C)c2=S)CC1 | unichem_smiles | 31 |
CC1(c2ccc3c(c2)OCCCO3)N=C(O)N(CC(=O)C2C(O)=NC(=O)N(C3CC3)C2N)C1=O | unichem_smiles | 56 |
CCc1c(C(=O)OC2CCCC2OC)cnn1Cc1ccccc1 | unichem_smiles | 25 |
COc1cccc(/C=N/NC(=O)C(=O)NC[C@H](C)c2ccccc2)c1O | unichem_smiles | 36 |
CCNC(c1cscc1Br)C1(C)CCCC1 | unichem_smiles | 17 |
OC(=NCC1CCCC(Cl)C1)c1cc(F)cc(Br)c1 | unichem_smiles | 25 |
CC(=O)c1c(C2CC3CCC(C2)N3C(=O)C2N=NC(O)=N2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N | unichem_smiles | 59 |
C=CCn1c([S-])nnc1-c1csc2c1CC[C@H](C)C2 | unichem_smiles | 31 |
CC(CC(O)=Nc1nnc(SCc2ccccc2)s1)C1CCCNC1 | unichem_smiles | 27 |
CCCC[C@H](N=C(O)OCC1(CCCc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 | unichem_smiles | 49 |
O=C(CBr)c1ccc(OCC(F)(F)F)cn1 | unichem_smiles | 22 |
Cc1cccc(-c2cccc(C[C@H]3[C@@H](NS(=O)(=O)N(C)C)C(F)(F)CN3C(=O)N(C)C)c2F)n1 | unichem_smiles | 60 |
N=C(O)c1ccc(CBr)c(Cl)c1C1CCC1 | unichem_smiles | 23 |
O=C(O)c1ccc(C=C2C(O)=NC(=S)N=C2O)o1 | unichem_smiles | 31 |
CCC1CCC(CN)(N2CCN(CC3CC3)CC2)CC1 | unichem_smiles | 21 |
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 | unichem_smiles | 45 |
Cc1cccc2c3ccccc3n3ccnc3c12.I | unichem_smiles | 19 |
COC(=O)CCC(=O)N(C)c1ccc(-c2ccccc2)nn1 | unichem_smiles | 27 |
COC(=O)N1CC(O)=NC1=O | unichem_smiles | 16 |
CC(N=c1[nH]n(-c2cccc(F)c2)c(N)c1C#N)C1CC1 | unichem_smiles | 35 |
CCC(O)=Nc1cc(N=C(O)C(C)N=C(O)C2CCN(CC(O)=Nc3cccc(C(O)=Nc4ccc(C)cc4F)c3C)CC2)ccc1OC | unichem_smiles | 64 |
CC=O.CNC(c1ccccc1)c1ccccc1 | unichem_smiles | 18 |
N=c1ccn([C@@H]2C[S@@](=O)[C@H](CO)O2)c(O)n1.N=c1ccn([C@@H]2C[S@](=O)[C@H](CO)O2)c(O)n1 | unichem_smiles | 71 |
Cc1onc(-c2cc(C(F)(F)F)ccc2F)c1C(=O)O | unichem_smiles | 30 |
O=C1c2ccccc2C(=O)N1CCC(O)=NCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | unichem_smiles | 55 |
Cc1ccc(-c2ccnn(C)c2=O)cc1N=[N+]=[N-] | unichem_smiles | 28 |
Cn1ccc(C2N=C(c3ccc(C(=O)CC(=N)O)cc3OC(C)(C)C)N(C(=O)N3CCN=C(O)C3)C2c2ccc(Cl)cc2)n1 | unichem_smiles | 69 |
C[C@@H]1Oc2ccccc2O[C@H]1C(O)=NCCCOCc1ccco1 | unichem_smiles | 32 |
CCc1nn(C)cc1C(O)=Nc1cc(N)cc(F)c1 | unichem_smiles | 26 |
O=C(O)c1nocc1-c1ccco1 | unichem_smiles | 17 |
NC=CC=C1C=CN=C1 | unichem_smiles | 12 |
CCCCN=C(O)CN(C)C(=O)c1[nH]c2c(C)cc(C)cc2c1C | unichem_smiles | 37 |
CC1CC2(CC(=O)c3ccc(Br)cc3O2)CN1C1CC1 | unichem_smiles | 27 |
CCOC(=O)C(=O)[C@H]1C(=O)C(=O)[C@@H](C)C1=O | unichem_smiles | 36 |
CN(C=O)C(O)=NC1(C)CCC(=CC(O)=Nc2cc3cc(-c4cnccc4Cl)nc(N)c3cn2)CC1 | unichem_smiles | 47 |
C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[I-].[I-].[I-].[I-].[Th+4] | unichem_smiles | 40 |
COc1ccc(CCN=C(O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3)/C(=N/c3ccccc3)S2)cc1OC | unichem_smiles | 51 |
CN=C(O)c1c(C)cccc1N=C(O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 | unichem_smiles | 45 |
COc1ccc(NC(=O)N2CC(C)CC2c2ccccc2F)cc1 | unichem_smiles | 27 |
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 | unichem_smiles | 40 |
Cc1ccc(C)n1-c1nc(CC(=O)N2CCC3CCC(C2)N3C)cs1 | unichem_smiles | 34 |
BC(B)(B)n1c(=O)nc(N2CCCCc3c(C#CC(C)(C)O)cccc32)c2c(F)cccc21 | unichem_smiles | 43 |
CN1CCC2(CC1)CCn1c(nc(-c3ccncc3)cc1=O)N2CC(=O)c1ccccc1 | unichem_smiles | 39 |
Cc1nc(-c2scc3c(C(=N)O)cccc23)nc(=NCc2ccccc2)[nH]1 | unichem_smiles | 36 |
CCNC(=O)c1ccc(CN=C(O)NCc2cccc(F)c2)cc1 | unichem_smiles | 28 |
CCS(=O)(=O)N1CCCC(c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)C3)C1 | unichem_smiles | 48 |
COc1ccccc1N=C(S)N(CC1CC2CC(OC)CCC2N=C1O)C1CCCCC1 | unichem_smiles | 35 |
CC[C@@H]1CN(C(=O)CCN2CCOC2=O)CCO1 | unichem_smiles | 26 |
COCC(N=c1nc(O)c2c[nH]n(-c3ccccc3)c-2n1)c1ccco1 | unichem_smiles | 37 |
CCCC(N)c1cc(C(C)(C)CC)ccc1O | unichem_smiles | 19 |
CC(C)c1ccc(NC(O)=Nc2cc(-c3c(Br)cnn3C)cc(N3CCOCC3)c2)cc1 | unichem_smiles | 42 |
BrCCCCCCc1c2nc(c(CCCCCCBr)c3ccc([nH]3)c(CCCCCCBr)c3nc(c(CCCCCCBr)c4ccc1[nH]4)C=C3)C=C2 | unichem_smiles | 59 |
CC(=O)CCC(=O)c1ccc(F)c(Cl)c1 | unichem_smiles | 22 |
O=C(OCc1ccccc1)OC12CC(OC1=O)C1OC3(CCCCC3)OC1C2 | unichem_smiles | 33 |
CN[C@H](CCC(C)C)c1ccc(C(=O)OC(C)C)cc1 | unichem_smiles | 29 |
C1CC2CC1CC2N1CCC2CCC(C1)N2 | unichem_smiles | 19 |
O=S(=O)(Nc1cnccc1Cl)c1cnc(O)nc1O | unichem_smiles | 25 |
Cn1ccc(=Nc2cc(Cl)nn3c(C(=O)N=c4cc[nH]cc4F)cnc23)[nH]1 | unichem_smiles | 43 |
CN1CCC(NC2CCN(c3cccc(-c4ccccc4)c3)CC2)CC1 | unichem_smiles | 27 |
CC(C)CC1OCCCC1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 | unichem_smiles | 34 |
N=C(O)COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 | unichem_smiles | 35 |
CCOC1CC(N=C(O)N(C)Cc2ccncc2)C1Oc1ccccc1 | unichem_smiles | 31 |
COc1cc(Cl)c2ncc(Br)n2c1 | unichem_smiles | 18 |
CC[C@@H](OC(=O)CN1C(=O)C2(CCC(C)CC2)N=C1O)C(=O)N=c1cc(C)o[nH]1 | unichem_smiles | 53 |
C=CCCC(C(=N)O)C(C(=O)C(C)(C)C)C(C)C | unichem_smiles | 31 |
CCCCOC1CC(NC(O)=NCc2nccn2C(F)F)C1(C)C | unichem_smiles | 28 |
CC(=O)c1cc(C)c(N=C(C)O)c(C)c1C | unichem_smiles | 28 |
CCOc1ccc(N(CC(O)=NCCCc2ccccc2)S(=O)(=O)c2ccc(SC)cc2)cc1 | unichem_smiles | 39 |
CCOCCC1(Oc2ccc(Oc3ccc(C(=O)NCc4ccccc4)cc3)cc2)C(O)=NC(=O)N=C1O | unichem_smiles | 47 |
Cc1ccc(NN=C2C(O)=NC(=O)N=C2O)cc1S(=O)(=O)Nc1ccc(Br)cc1 | unichem_smiles | 43 |
COc1ccc(C(O)=NCC(C)Oc2ccc(Cl)cc2)cc1OC | unichem_smiles | 27 |
CS(=O)(=O)N1CCC[C@H](N=C(O)CCc2ccc(Cl)s2)C1 | unichem_smiles | 34 |
COc1cccc(-c2nnc(SCC(=O)N(C)c3ccccc3)n2N)c1 | unichem_smiles | 32 |
CC(C)CCC(O)=NCC(=O)N1CCCCC1 | unichem_smiles | 19 |
CC(C)NCC1(c2ccc(Cl)c(Cl)c2)CC(C(C)(C)C)C1 | unichem_smiles | 33 |
CC(C)[C@@]1(Cn2cccn2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 | unichem_smiles | 85 |
CC(=O)Cc1ccc(OC(F)(F)F)c(I)c1 | unichem_smiles | 24 |
C[C@H](CN)Oc1ccc(Cl)c(F)c1 | unichem_smiles | 21 |
CCCN(CC(=O)O)C(=O)N(C)Cc1ccc(F)cc1 | unichem_smiles | 28 |
CCC1CN(CC(=O)N2CCN(C3CCS(=O)(=O)C3)CC2)CC(C)O1 | unichem_smiles | 37 |
CCC(C(=O)N(C)C1CCC1)c1ccc(F)cc1 | unichem_smiles | 24 |
CCC1CCC(C)N1c1nc(C(N)=O)ccc1N | unichem_smiles | 21 |
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