text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
COC(=O)c1ccn2nc(-c3cccc(Br)c3)nc2c1 | unichem_smiles | 26 |
Cc1cc(C)c2c(n1)sc1c(=O)n(CC(O)=Nc3cccc(C(F)(F)F)c3)cnc12 | unichem_smiles | 46 |
Cc1c(Cl)cccc1C(O)c1ccc2c(c1)OCCO2 | unichem_smiles | 26 |
O=S(=O)(c1cc(C(O)=NCCc2ccn(-c3ccccc3)n2)ccc1F)N1CCOCC1 | unichem_smiles | 41 |
CCCCC1=NN(c2nc(-n3cc(N=Nc4c(C(=O)CO)cnn4C)c(CCCC)n3)c(C#N)c(C)c2C#N)C(=N)/C1=N/Nc1c(C(=O)CO)cnn1C | unichem_smiles | 82 |
CS(=O)(=O)c1ccc(C2CCNCC2N=C(O)C(C(N)N)C2CC3(CCCCC3)CCC(F)CN2)cc1 | unichem_smiles | 50 |
Cc1ccccc1OCCCC(O)=Nc1ccccc1C(C)(C)C | unichem_smiles | 24 |
Cc1ccc(C)c(OCc2cc(C(=O)O)co2)c1 | unichem_smiles | 26 |
COc1c(C(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)cnc2c1cnn2C | unichem_smiles | 41 |
COCC1CC(O)=NC(Cc2cccc(OC)c2)N1 | unichem_smiles | 21 |
c1ccc(C2=NC(c3ccccc3-c3cccc4c(-c5cccc(-c6ccc(-c7nc8ccccc8s7)cc6)c5)cccc34)N2c2ccc(-c3ccccc3)cc2)cc1 | unichem_smiles | 65 |
CC(C)CCN(O)CCC(C)C | unichem_smiles | 14 |
Cc1cc(C(C)Nc2cc(C)c(C)cc2[N+](=O)[O-])c(C)o1 | unichem_smiles | 38 |
N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(O)=NCc1cc(Cl)ccc1OC(F)F | unichem_smiles | 45 |
COc1ccc(Cl)c(OC2=C=N[C](C(N)=O)N=C2OCCOc2ncc(Br)cn2)c1 | unichem_smiles | 43 |
CN(CCN1CCNCC1)c1cccc(Cl)c1[N+](=O)[O-] | unichem_smiles | 28 |
CC(O)C(N)C(O)=NC(CCC(=O)O)C(O)=NC(CCCCN)C(O)=NC(CCCNC(=N)N)C(=O)O | unichem_smiles | 50 |
CN(C)[C@@H](CNCc1csc(-c2ncccn2)n1)c1cccs1 | unichem_smiles | 30 |
Cc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)ccc1[N+](=O)[O-] | unichem_smiles | 47 |
CC(=O)N(c1nc(C=CC(O)=Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)cs1)c1ccccc1F | unichem_smiles | 52 |
O=C(O)C1CCCC1CNCCC(F)(F)F | unichem_smiles | 18 |
COCC[C@@]1(C2CCOCC2)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 | 84 |
CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]1[C@@H]1CCCN12 | unichem_smiles | 59 |
CN(CCOc1ccc(F)cc1)CC(O)=Nc1sccc1C(N)=O | unichem_smiles | 28 |
COc1ccc(NC2CCCN(C(=O)CCn3cncn3)C2)cc1 | unichem_smiles | 28 |
CN=CO.N#Cc1cnc(/C(F)=C/c2ccc(F)c(C3NC(=N)SC4CC43)c2)cn1 | unichem_smiles | 43 |
N=c1[nH][nH]c(C(O)=NCc2n[nH]c3c2CCC3)c1Cl | unichem_smiles | 35 |
CS(=O)(=O)NC1CCCN(C(=O)c2ccc(Br)cc2N)C1 | unichem_smiles | 30 |
Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(=O)O)cc3)N=C2O)cc1 | unichem_smiles | 43 |
COCCn1cc(C(O)=NCC2(C(=N)O)CCOCC2)c2ccccc21 | unichem_smiles | 31 |
CCCCN=C(O)C1CCCN(C(=O)c2cn(C)nc2-c2ccccc2)C1 | unichem_smiles | 34 |
CCC(C)N(CC(=O)N(Cc1ccco1)CC1CCCO1)C(O)=NC(C)(C)C | unichem_smiles | 37 |
COCCOc1ccc(CN=C(O)CN2CCC(COC)CC2)cc1 | unichem_smiles | 25 |
O=C(C(O)Cc1cccc(C(F)(F)F)c1)N1CCc2c(CO)cccc21 | unichem_smiles | 35 |
Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1S(=O)(=O)C1CC1 | unichem_smiles | 39 |
Cc1ccc(C(=O)N2CCCCC2c2ncc[nH]2)n1C | unichem_smiles | 28 |
N=C(NO)c1cc(F)ccc1CN1CCC(CCO)C1 | unichem_smiles | 23 |
COc1ccc(N2CCN(c3ncnc4c3cnn4C)CC2)cc1 | unichem_smiles | 27 |
CCOC(=O)Cn1c2c(sc1=O)[C@@H](c1ccc(OC)cc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1S2 | unichem_smiles | 64 |
COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2C2=C1[C@H](c1ccccc1OC)N1NC=NC1=N2 | unichem_smiles | 47 |
Cc1ccc(F)c(NC(O)=NC(C)c2nc(Cc3ccccc3)no2)c1 | unichem_smiles | 33 |
[B+]=C1C=C2C(C)=CC(C)=C(c3c(Cl)cc(C(F)(F)F)n4nccc34)[C-]2N1 | unichem_smiles | 48 |
CC(=O)/C(=C(\C)O)c1nc2cc(-c3ccccc3)ccc2o1 | unichem_smiles | 30 |
C[C@@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1nc(-c2ccccc2)cs1 | unichem_smiles | 40 |
CCOC(=O)CSc1[nH]c2cc(OC)ccc2c1[N+](=O)[O-] | unichem_smiles | 33 |
CCCCCCCCN(CCCNCCCN)CCCC(C)C1CC[C@H]2C3[C@H](OCCCN)CC4C[C@H](OCCCN)CC[C@]4(C)[C@H]3C[C@H](OCCCN)[C@]12C | unichem_smiles | 74 |
O=C(O)C1CCN(C2CCN3CCCCC23)CC1 | unichem_smiles | 22 |
CCc1nc2ccccc2n1CC(O)=NCC(C)(O)c1cccc(Cl)c1 | unichem_smiles | 29 |
CC1=C(N=[NH+]c2ccccc2)CC(c2ccccc2)N(Cc2ccccc2)C1 | unichem_smiles | 35 |
O=C(Oc1ccccc1)N1CCCN(C(=O)c2cc(F)cc3cccnc23)CC1 | unichem_smiles | 35 |
CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCC(=O)OCCC(CCCCC)CCCCC)CCN1CCCC1 | unichem_smiles | 36 |
O=c1ccc2ccc(OCc3c(Cl)cccc3Cl)cc2o1 | unichem_smiles | 23 |
CCc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)o1 | unichem_smiles | 49 |
CCCN(Cc1ccccc1O)C(=O)c1cc(S(N)(=O)=O)c(C)o1 | unichem_smiles | 35 |
O=C1c2ccccc2[C@@](OCCCCO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 | unichem_smiles | 44 |
CC1CCC(n2nnnc2-c2ccccc2N)CC1 | unichem_smiles | 19 |
CC[C@H](NCc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(CC3CCCO3)c2c1)C(=O)OCC(C)C | unichem_smiles | 55 |
c1ccc(CCc2nnc(Cc3cccc4ccccc34)o2)cc1 | unichem_smiles | 24 |
O[C@@]1(c2ccccc2)C[C@@H]2C[C@@H]1C[C@@]2(O)c1ccccc1 | unichem_smiles | 41 |
CN1CCCCC1COc1ccc(F)cc1C#N | unichem_smiles | 17 |
CN[C@@H](C)c1cc(N2CCOCC2)ccn1 | unichem_smiles | 22 |
COCCOc1cc(OC2CCC(N)CC2)ccc1C#N | unichem_smiles | 21 |
CC1(C)C(N2C(=O)OCC2c2ccccc2)C(=O)N1C=O | unichem_smiles | 33 |
CCC1=C(C)/C(=C(/C)c2[nH]c(C)c(CC)c2C)N=C1C.Cl.O | unichem_smiles | 41 |
COC(=O)c1sc(N=C(O)C=Cc2ccc(C)cc2)c(C(=O)OC)c1C | unichem_smiles | 40 |
OCC1CCCN1c1nc(Nc2ccccc2)c2ncn(Cc3ccc(C(F)(F)F)cc3)c2n1 | unichem_smiles | 42 |
COCOC(COCCCC#N)COCC1CO1 | unichem_smiles | 14 |
O=c1nc(O)ccn1[C@@H]1O[C@H](CSC[C@H](O)[C@@H](O)CO)[C@@H](O)[C@H]1O | unichem_smiles | 52 |
COC(=O)C1CC(=O)CCC1CC1OC(C)(C)N(C(=O)O)C1Cc1ccccc1 | unichem_smiles | 40 |
Cc1nc(C)c(-c2csc(N=C(O)C(C)c3c(F)cccc3F)n2)s1 | unichem_smiles | 39 |
N#CC(OC1CCCCO1)c1ccccn1 | unichem_smiles | 15 |
CC(C)(C)n1cc(C(=O)N2CC(O)=NC3CCCCC32)nn1 | unichem_smiles | 29 |
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 | unichem_smiles | 39 |
CCCOc1cc2nc(C[C@H](N=C(C)O)c3ccc(Br)cc3)[nH]c2cc1Br | unichem_smiles | 39 |
CCN(CC1CC1)c1nc2ccccn2c1CC(C)N | unichem_smiles | 22 |
Cc1cc(C)n2ncc(-c3noc(-c4ccccc4[N+](=O)[O-])n3)c2n1 | unichem_smiles | 39 |
Cc1cc2c(C)nc(Nc3cc([N+](=O)[O-])ccc3C)nc2o1 | unichem_smiles | 33 |
COc1ccc(COC(=O)C2=C(C[n+]3cccc4c3CCC4)CSC3C(N=C(O)C(=CP(=O)(OC)OC)c4csc(NC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)C(=O)N23)cc1 | unichem_smiles | 90 |
CC(C)N(CCNc1nc(-c2csc3ccccc23)nc2c1ncn2C(C)C)C(C)C | unichem_smiles | 39 |
N#Cc1c(N)nc(-c2ccc(N3CCOCC3)nc2)c(-c2ccccc2)c1-c1cccc(Br)c1 | unichem_smiles | 44 |
CCCCN1C(=O)c2c(Br)sc(Br)c2C1=O.CCCCN1C(=O)c2c(C)sc(-c3ccc(C4=c5c(c6sccc6c6ccsc56)=C(C5=S=C(C)C=C5)C4=O)s3)c2C1=O.O=C1C(=C2C=CC#S2)c2c(c3sccc3c3ccsc23)C1=C1C=CC#S1.[CH3].[CH3].[CH3].[CH3].[CH3].[CH3].[Sn].[Sn] | unichem_smiles | 159 |
O=C(O)CC(NCc1ccccc1)C(O)=Nc1cccc([N+](=O)[O-])c1 | unichem_smiles | 35 |
Cc1noc(CN2CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)[nH+]1 | unichem_smiles | 40 |
CC[C@@H](C)N=C(C)C1=C([O-])CC(C)(C)CC1=O | unichem_smiles | 32 |
COCCOCCOC(=O)N(Cc1cncc(-c2cc3nccc(Oc4ccc(NC(O)=NC5CC5)cc4F)c3s2)c1)C(C)(C)C | unichem_smiles | 57 |
C=CCOC(=O)C1=C(C)N=C2N=C(SCC)NN2[C@H]1c1ccccc1OCc1ccc(C)cc1 | unichem_smiles | 48 |
CC(C(O)=NCCCc1cnn(C)c1)c1nnc(O)c2ccccc12 | unichem_smiles | 30 |
CCN1C=CC(=CC=C2C=CC(=[N+](C)CCC[N+](C)(C)CCCSSCC[N+](C)(C)CCC[N+](C)=C3C=CC(=CC=C4C=CN(CC)C=C4)C=C3)C=C2)C=C1 | unichem_smiles | 85 |
CC(C)[C@H](N=C(O)COc1ccccc1)C(=O)OCC(=O)N1CCCC1=O | unichem_smiles | 38 |
CCC(NC1CCN(C2CC2)C1)c1ccc(Br)cc1 | unichem_smiles | 23 |
COC(=O)[C@H](CN1CCCCC1)[C@]([O-])(c1[nH+]ccn1C)C(F)(F)F | unichem_smiles | 43 |
C[C@@H]1CC[C@](C(=O)O)(c2ccc(C(C)(C)C)cc2)C1 | unichem_smiles | 36 |
Cc1noc(C)c1CCC(O)=NCCSCC(=O)O | unichem_smiles | 23 |
CN(CC1CC1)C(O)=NCCCOc1ccc(F)cc1 | unichem_smiles | 22 |
CN1CCc2ccc(NC(=O)C(=O)NC3CC3)cc21 | unichem_smiles | 24 |
CC(CN1CCCC1)NCc1cnc[nH]1 | unichem_smiles | 17 |
CCCNC(c1ccnnc1)c1cc(F)ccc1Cl | unichem_smiles | 19 |
COc1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)ccc1N=C(C)O | unichem_smiles | 36 |
COC(=O)CC(C)(C)CC(=O)N1CC(C)Oc2c(F)cccc21 | unichem_smiles | 32 |
C=CCCC(O)C(CCCCCCCCCCCC)OCc1ccccc1 | unichem_smiles | 18 |
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