text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)cc12 | unichem_smiles | 42 |
Cc1ccc(C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1 | unichem_smiles | 31 |
CCc1nc2n(n1)CC(N=C(O)c1csc(-c3cccc(Cl)c3)n1)CC2 | unichem_smiles | 37 |
COc1cc2cc3c(NCc4ccc(F)cc4F)[nH][nH]c-3c2cc1OC | unichem_smiles | 34 |
C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 | unichem_smiles | 45 |
CC(C)C=Cc1ccc(C(=O)NCCN2CCNCC2)cc1 | unichem_smiles | 27 |
CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C | unichem_smiles | 57 |
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)C1 | unichem_smiles | 71 |
CS(C)(C)CCOCn1ncc([N+](=O)[O-])c1-c1cc(Cl)ccc1OS(=O)(=O)C(F)(F)F | unichem_smiles | 48 |
Cl.NC1CCC2CN(S(=O)(=O)Cc3noc4ccccc34)CC12 | unichem_smiles | 28 |
C[n+]1cc(-c2ccc(OC[C@H](O/N=C(\C(O)=NC3C(=O)N(OS(=O)(=O)O)C3(C)C)c3csc(=N)[nH]3)C(=O)O)cc2)ccc1C(O)=NC(CN)CN | unichem_smiles | 88 |
CCC1CCCC(N=C(O)N2CC(N=C(O)C3CCC3)C2)C1 | unichem_smiles | 30 |
Cc1cccc(C(C)C)c1N=C(O)CNC[C@@H]1COc2ccccc2O1 | unichem_smiles | 35 |
Cc1cc(C)c(-n2nc(CO)cc2C)c(Cl)c1 | unichem_smiles | 25 |
CC[C@@H](NC)[C@H](C)N1CCC(CN2CCCC2)CC1 | unichem_smiles | 25 |
CC[C@@H](O)[C@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@]1(C)/C(O)=C1\C(=O)CN=C1O | unichem_smiles | 90 |
CN(CCc1nccs1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl | unichem_smiles | 32 |
COc1ncc(NC(O)=NC(C)Cc2ccc(C(F)(F)F)cc2)cc1C(N)=O | unichem_smiles | 37 |
Cc1ccc(CNc2ccccc2N2CCCCCC2)c(C)n1 | unichem_smiles | 23 |
CC1CCN(c2ccc([N+](=O)[O-])cc2C(O)=N[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)CC1 | unichem_smiles | 51 |
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(N3CCCC3)cc1O2 | unichem_smiles | 37 |
COC(=O)c1cc([N+](=O)[O-])ccc1NCC(C1CCOC1)N1CCCC1 | unichem_smiles | 34 |
CC[C@@H](CO)N(Cc1ccco1)C(=O)c1sccc1N=C(C)O | unichem_smiles | 34 |
CC[C@H](N)C(O)=NC1CCc2ccccc2C1.Cl | unichem_smiles | 24 |
CN(Cc1ncc[nH]1)S(=O)(=O)C1CCC(O)=NC1 | unichem_smiles | 29 |
O=C(c1ccco1)N1CCC[C@@H](OCc2cccc(C(F)(F)F)c2)C1 | unichem_smiles | 36 |
COc1ccccc1N1CCN(CC(Cc2ccccn2)N=C(O)C2CCCCC2)CC1 | unichem_smiles | 34 |
CCC(O)=[NH+]c1cccc(N=C(O)CN(CC)CC)c1C | unichem_smiles | 27 |
Cl.FC(F)C1(c2ccccc2)CCNC1 | unichem_smiles | 18 |
CCCCCCS(=O)(=O)N(C)N=Cc1cnc2ccc(-c3cccnc3F)cn12 | unichem_smiles | 33 |
COC(CN(CCN=C(C)O)c1ccc(N(C)C)cc1)OC | unichem_smiles | 28 |
C#C[C@@H](OC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)/C(C)=C/CC | unichem_smiles | 45 |
C1CC1.C[N-]C.O=c1c(NCc2ccco2)c(Nc2cccc(O)c2O)c1=O.[W] | unichem_smiles | 45 |
CC(N)c1cn(Cc2cc(=O)n3cc(Cl)ccc3n2)nn1 | unichem_smiles | 29 |
Cc1c[nH]c(C)c1S(=O)(=O)Cl | unichem_smiles | 23 |
COCc1nc(C(O)=N[C@H](C)c2cc(OC)ccc2OC)cs1 | unichem_smiles | 30 |
Nn1c(SCc2ccc(Cl)c(Cl)c2)n[nH]c1=N/N=C\c1cccc(Cl)c1 | unichem_smiles | 41 |
Cc1csc2nc(C(O)=Nc3ccccc3Br)cn12 | unichem_smiles | 22 |
COc1cc(O)c(C(F)(F)F)cn1 | unichem_smiles | 19 |
CC(N=C(O)N1C(=O)C2(c3cc(C#CCN(C)Cc4ccccc4)ccc31)C(C(=O)O)C1C(=O)OC(c3ccccc3)C(c3ccccc3)N1C2c1ccccc1OCCO)c1ccccc1 | unichem_smiles | 89 |
CCOc1ccccc1Oc1ccc(CNC(=O)c2cccnc2Oc2ccccc2)cn1 | unichem_smiles | 32 |
CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(C(C)(C)C)cc2)ccc1OC | unichem_smiles | 38 |
CC(C)C(N=C(O)OC(C)(C)C)C(=O)N(C1CC1)C(C(O)=NCc1ccccc1)c1ccccc1 | unichem_smiles | 50 |
C/C=C/C1(C)SCC(C)C1O | unichem_smiles | 19 |
Cc1c(C(=O)N/N=C\c2ccc(Br)cc2)n[nH]c1-c1ccccc1 | unichem_smiles | 38 |
Cc1ccc2nc(C3C(O)=NC4CCC(Cl)CC4C3c3ccccc3)cc(-c3ccccc3)c2c1 | unichem_smiles | 41 |
COC(=O)c1cc(Br)ccc1N=C(O)N(C)C(C)CCSC | unichem_smiles | 30 |
Cc1cc(C(O)=Nc2n[nH]cc2C(=N)NO)ccc1O | unichem_smiles | 29 |
CCCC(N=C(O)COc1ccc(F)c(Cl)c1)c1ccccc1 | unichem_smiles | 27 |
O=C1C=C(C2=CI=CC=C2)CCC1 | unichem_smiles | 20 |
CCCNCc1ccc(SC(CC)CC)cc1 | unichem_smiles | 14 |
N#Cc1ccc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)cc1C#N | unichem_smiles | 50 |
C[C@@H]1SC(=C2C=CC=C(O)C2=O)N[C@H]1C(=O)N(O)CCc1cnc[nH]1 | unichem_smiles | 51 |
CC[C@@H](C)N=c1[nH]c2c(c(=O)n(C)c(=O)n2C)n1CC | unichem_smiles | 41 |
C=C(CCc1c(C)oc2c(C=O)c(O)c(OC)cc2c1=O)N1CCN(C)CC1 | unichem_smiles | 43 |
CC(C)(N)CC(O)=NC(C)(C)CO | unichem_smiles | 17 |
CC(C)OCc1cccc(NC(O)=NCCC(=O)OC(C)(C)C)c1 | unichem_smiles | 29 |
CC(C)N1C(=O)C(CN=C(O)[C@@H]2[C@@H](O)CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)CN(c2ccc(C(F)(F)F)cn2)C1=O | unichem_smiles | 76 |
C.CC(C)(C)OC(=O)N1CCC(N)(C(=O)O)C1.CC(C)(C)OC(=O)N1CCC(N=C(O)OC(C)(C)C)(C(=O)O)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C | unichem_smiles | 91 |
N=C(O)CCCCOc1cc(N)ccc1C(=N)O | unichem_smiles | 22 |
CCN=C(O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2cc[nH]n2)C1 | unichem_smiles | 45 |
CCS/C(Cl)=C/c1ccccc1 | unichem_smiles | 14 |
OC(=NCc1cc(Cl)cc2c1OCC2)C1Cc2cc(F)ccc2O1 | unichem_smiles | 31 |
COC(=O)c1cc(F)cc(-c2cc(F)cc(Cl)c2)c1 | unichem_smiles | 29 |
Cc1ccc(Cl)cc1NC(=O)C(=O)NN=C(O)c1cccnc1 | unichem_smiles | 30 |
CN(C)[C@H](C[NH+]=C(O)COC[C@@H]1CCCO1)c1ccccc1 | unichem_smiles | 34 |
CC(C)n1ncc2ccc(N=C(O)CN=C(O)OC(C)(C)C)cc21 | unichem_smiles | 33 |
Nc1cc(O)nc(=O)n1CC1CO1 | unichem_smiles | 18 |
CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C | unichem_smiles | 40 |
O=C1CC(c2ccc3c(c2)OCO3)Oc2ccc(OCc3ccc(Cl)cc3)cc21 | unichem_smiles | 36 |
O=C(O)c1cncc(C(=O)O)c1.c1ccc2nonc2c1 | unichem_smiles | 30 |
Cc1cncc(CN=C(O)CC2(C)CCCCC2)c1 | unichem_smiles | 23 |
C1=c2c(n(-c3ccccc3)c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc7oc8ccccc8c7c65)cc4)ccc23)=CCC1 | unichem_smiles | 66 |
COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(CC(O)=Nc3cccc(Cl)c3C)c2=O)cc1 | unichem_smiles | 46 |
CC1(C)OC2C(CN=[N+]=[N-])OC(N3C=NC4C(O)=NC(=N)N=C43)C2O1 | unichem_smiles | 44 |
C[C@H](O)[C@@H](O)[C@H](O)C(=O)COP(=O)(O)O | unichem_smiles | 33 |
CC1CN(c2cc(S(=O)(=O)N(C)C)ccc2N)CCS1 | unichem_smiles | 29 |
CN(Cc1ccc(C#N)cc1)C(O)=NCC(C)(C)c1ccncc1 | unichem_smiles | 31 |
CN(CC1CCCN1C(O)=NC1CCN(CC2CC2)CC1)C(=O)OC(C)(C)C | unichem_smiles | 36 |
COCOc1c(-c2cc(Cl)c3cc(N4C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C4)cnc3n2)cc2cn(C)nc2c1F | unichem_smiles | 68 |
CC[C@@H](C)[C@H](N=C(O)c1ccccc1)C(=O)Nc1ccc2c(c1)CCN2C(C)=O | unichem_smiles | 47 |
COC(C)c1nc(C)c(C(O)=Nc2ccc(C)cc2OCCN(C)C)s1 | unichem_smiles | 36 |
CC(C)(O/N=C(\C(O)=NC1C(=O)N2C[C@@](CC(=O)O)(N3CCN(/N=C/C(O)=NCCN=C(O)c4ccc(O)c(O)c4Cl)C3=O)S[C@H]12)c1csc(=N)[nH]1)C(=O)O | unichem_smiles | 102 |
Cl.Cl.O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCCNCC1 | unichem_smiles | 36 |
CC(C#N)NNc1ccccc1 | unichem_smiles | 12 |
CCc1cc2c(C(O)=NC)c(-c3ccc(F)cc3)oc2nc1NS(=O)(=O)CCCc1ccncc1 | unichem_smiles | 43 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC | unichem_smiles | 112 |
CCn1ccc(N=C(O)Nc2cc(C(C)(C)C)sc2C(=O)O)c1 | unichem_smiles | 35 |
COc1ccc(N=c2scc(-c3ccc4c(c3)N=C(O)CO4)n2C2CCCC(C)C2C)cc1 | unichem_smiles | 44 |
C[C@H](C(O)=[NH+]c1ccccc1-c1ccccc1)N1CC=C(c2ccccc2)CC1 | unichem_smiles | 40 |
Cc1ccc(-c2noc(C3CCC(=O)N3Cc3ccccc3C)n2)cc1 | unichem_smiles | 32 |
Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)sc2ncn(C)c(=O)c12 | unichem_smiles | 40 |
CSCC[C@H](N=C(O)COc1ccccc1)C(O)=N[C@H](C)c1ccc(C(C)C)cc1 | unichem_smiles | 44 |
CC(C)(CC(=N)O)N=C(O)c1csc(C#CCCO)c1 | unichem_smiles | 29 |
Oc1nccc2nc(-c3nccs3)cn12 | unichem_smiles | 17 |
CC(=O)N1CCc2cc(S(=O)(=O)Oc3ccccc3C(C)C)ccc21 | unichem_smiles | 34 |
CCOC(=O)CN(C(=O)Cc1ccc(C#N)cc1)C1CC1 | unichem_smiles | 29 |
CCCCOCCO[Si](Cc1ccccc1)(OCC)OCC | unichem_smiles | 19 |
Cc1cccc(NC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)c1 | unichem_smiles | 34 |
CCCCOCCOc1nc2ccc(C(=O)O)cc2o1 | unichem_smiles | 21 |
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