text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
OC1=NC(CCS)Nc2ccsc21 | unichem_smiles | 14 |
Cc1nc2ccccn2c(=O)c1CCN1CC2CCC(O)C2C1 | unichem_smiles | 28 |
CC1=C(C(O)=Nc2ccccc2)[C@@H](c2cccnc2)N2NC=C(C#N)C2=N1 | unichem_smiles | 41 |
Cc1cc(C)cc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 | unichem_smiles | 50 |
N=C([O-])C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O.[Na+] | unichem_smiles | 81 |
CCC(=O)Cn1c(=O)c2c(nc(N3CCCC(N)C3)n2CC=C(C)C)n(C)c1=O | unichem_smiles | 46 |
CCN=c1cc(NCc2ccccc2)cc[nH]1 | unichem_smiles | 20 |
Cc1cc(NC(=O)COC(C)C)c(C)cc1N | unichem_smiles | 24 |
COc1ccc2c(c1)C(Cc1nn[nH]n1)=CC2=Cc1ccc(Cl)cc1 | unichem_smiles | 35 |
CC1COCC(/C=C/c2cccc(F)c2F)N1 | unichem_smiles | 21 |
O=C(COc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1F | unichem_smiles | 32 |
O=C(O)C1=C(C[n+]2ccc(CCS(=O)(=O)[O-])cc2)CSC2C(N=C([O-])C(N=C(O)c3nc[nH]c3C(=O)O)c3ccccc3)C(=O)N12.[Na+] | unichem_smiles | 87 |
C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)c1cc(F)ccc1F | unichem_smiles | 34 |
Cc1nc(N2CCC[C@@]3(CCN(C4CCOCC4)C3=O)C2)ccc1OC(=N)O | unichem_smiles | 40 |
COCCN1CCN(c2ccc([NH2+]C(=O)c3ccccc3F)cc2)CC1 | unichem_smiles | 32 |
CS(=O)(=O)N[C@H]1CCN(c2ccc(O)cn2)C/C1=C\OC1CCC(c2ccccc2)CC1 | unichem_smiles | 46 |
CCC(CC)N(Cc1cc(C)no1)CC(C)C | unichem_smiles | 21 |
C[C@@H]1CCC[C@H](N=C(O)CN2CCN(C(O)=NC(C3CC3)C3CC3)CC2)C1 | unichem_smiles | 45 |
C[C@@H]1[C@@H](C)CCC[C@H]1N=C(O)CN1C(=O)[C@@](C)(c2ccc3c(c2)OCCO3)N=C1O | unichem_smiles | 58 |
CCOC(=O)C(N=NC(C(=O)OCC)C(C#N)CC)C(C#N)CC | unichem_smiles | 35 |
COC(=O)C1=C(C2CCN(S(=O)(=O)[C@H]3C[C@H](O)C3)CC2)NC(c2nccs2)=N[C@@H]1c1ccc(F)cc1Cl | unichem_smiles | 68 |
C[C@@H](C(=N)O)N(C(=O)[C@@H](N)CC(=O)O)C1C(C)(C)SC1(C)C | unichem_smiles | 47 |
Cc1cc(C)c(-c2ccc(CN)o2)c(C)c1 | unichem_smiles | 24 |
N#CCc1ccc(NC[C@H](O)CO)cc1 | unichem_smiles | 19 |
CC(C)[C@@](C)(C#N)N=C(O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 | unichem_smiles | 50 |
C#CCOc1cccc([N-]S(=O)(=O)c2ccc(N=C(C)O)cc2)c1 | unichem_smiles | 36 |
CC1(C)CC(=O)C2=C(C1)N=C1NC(=C3C=CC(=O)C=C3)NN1C2c1ccc(O)cc1 | unichem_smiles | 51 |
CC(COC(CC(OCCCc1ccc2ccccc2c1)(OCCCc1cccc2ccccc12)OCCCc1cccc2ccccc12)C(OCCCc1ccccc1)(ON=[N+]=[N-])c1ccccc1)c1ccccc1 | unichem_smiles | 69 |
CN(C)C1(C#N)CSCCC1(C)C | unichem_smiles | 18 |
CCN(CC)c1nc(Cl)nc(N2CCN=C(O)C2C)n1 | unichem_smiles | 28 |
COc1ccc(Br)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@H]2O1 | unichem_smiles | 49 |
O=C(c1ccccc1)c1ccc(N[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 | unichem_smiles | 43 |
COc1c(Br)cc2c(c1CON)CCCC2 | unichem_smiles | 17 |
C[Si](C)(C)CC#CCSCCO[Si](C)(C)C | unichem_smiles | 22 |
COc1ccc(C2=C(C#N)C(=O)OC2=Cc2ccco2)cc1NS(C)(=O)=O | unichem_smiles | 39 |
CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3N=C(C)O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](N=C(C)[O-])[C@H]([C@H](... | unichem_smiles | 290 |
CCN=C(NCCCn1ccc2ccccc21)NCC(=O)Nc1ccc(O)cc1 | unichem_smiles | 30 |
CN(Cc1cc(Br)ccc1O)C1COCC1C(=O)O | unichem_smiles | 24 |
CCCCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)/C=C(\C)C(=O)O[C@@H]1C(CO)O[C@H](O[C@H]2OC(COC(=O)[C@@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@@H](O)C(OC(=O)[C@@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCC)C1O | unichem_smiles | 193 |
CC(C)(C)C(N)C1CCOC2(CCOC2)C1 | unichem_smiles | 22 |
CCC(OC(=O)c1c(-c2ccc(Cl)cc2)c2ccccc2c(=O)n1C)C(O)=Nc1sc2c(c1C#N)CCC(C)C2 | unichem_smiles | 57 |
CC(N=C(O)CC(C)(C)C)C(=O)N1CC2CCCN2CC1C | unichem_smiles | 31 |
Cc1cccc(N2CCN(CCN=C(O)[C@H](CC(C)C)NC(=N)O)CC2)c1 | unichem_smiles | 39 |
CCC(C)CC(N)c1cc(Br)c(F)cc1OC | unichem_smiles | 21 |
CCCC1CCC(C2CCC(C(F)(F)Oc3ccc(OCC)c(C(F)(F)F)c3C(F)(F)F)CC2)CC1 | unichem_smiles | 47 |
C/C=C(\C)Cc1ccc(N=Nc2cccnc2)cc1 | unichem_smiles | 24 |
CCN(CC(O)=Nc1c(F)cccc1F)c1ccc(C#N)cn1 | unichem_smiles | 28 |
C[C@@H](C(=S)S)C(C)(C)O | unichem_smiles | 20 |
Cc1nc2sc(CC3N=C(c4cccs4)ON3)c(N)c2c(C)c1C | unichem_smiles | 35 |
CCOc1ccccc1CCC(O)=NCc1cccc(N=C(O)[C@@H]2CCCO2)c1 | unichem_smiles | 33 |
C.[Hg].[Zn] | unichem_smiles | 6 |
COC(=O)C(C)C(NCC(=O)OCc1ccccc1)c1ccccc1 | unichem_smiles | 30 |
Cc1ccc(-n2c(SCc3ccccc3)nnc2C(C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 | unichem_smiles | 47 |
N#Cc1ccc(CNCc2ccccc2S(=O)(=O)N2CCOCC2)cc1 | unichem_smiles | 31 |
CC(C)(c1ccccc1)c1ccc(OCCCOS(C)(=O)=O)cc1 | unichem_smiles | 27 |
CC1(C(=O)O)CCc2c(O)cccc21 | unichem_smiles | 19 |
COc1ccc(C(C)(C)C)cc1CNN1CC2CC2C1c1ccccc1 | unichem_smiles | 28 |
CCc1cc(O)nc(-c2cccc(NC(=O)c3ccc(COC)o3)c2)n1 | unichem_smiles | 33 |
CCCN1CCCn2nc(CN=C(O)C3CC3c3ccccc3)cc2C1 | unichem_smiles | 28 |
O=Cc1cc(NCc2ccc(F)c(F)c2)n2nccc2n1 | unichem_smiles | 28 |
CC(C)(C)/C=C/C1CC(C(C)(F)F)C1 | unichem_smiles | 24 |
c1ccc(-c2cccc(-c3cc(-c4cccc5oc6cccc(-c7nc8ccccc8s7)c6c45)nc(-c4ccccc4)n3)c2)cc1 | unichem_smiles | 51 |
C[C@H](NC(c1ccccc1)c1ccccc1)c1nnc(-c2ccc(F)cc2)o1 | unichem_smiles | 36 |
CN(C(=O)C1c2ccccc2Oc2ccccc21)C(CN1CCC(O)C1)c1ccccc1 | unichem_smiles | 37 |
CC=CC[C@@H](C)CCO | unichem_smiles | 12 |
CCCCCN(C)C1(CN)CCC(C)CC1 | unichem_smiles | 16 |
C[C@@H](CC(=O)O)c1cc2n(c1)CCO2 | unichem_smiles | 25 |
C=CCN(C(=O)OCc1ccc(C)cc1)C1CCN(CCC(C)(Cn2cnc3ccccc32)c2ccccc2)CC1.C=CCN(C(=O)OCc1ccc(C)cc1)C1CCN(CCC(CC(C)(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1.C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(Cn2c(CC)nc3ccccc32)c2ccccc2)CC1 | unichem_smiles | 149 |
CCCC(CCC)C(O)=NCCN1C(=O)C2C3C=CC(C3)C2C1=O | unichem_smiles | 34 |
C[C@@H](Cn1cc[nH+]c1)N=C(O)N(Cc1ccco1)C1CC1 | unichem_smiles | 37 |
COc1cc(NC(O)=[NH+]CCN2CCCC[C@H]2C)ccc1N1CCOC1=O | unichem_smiles | 34 |
Cc1c(C)c2cc[nH]c2c2ncccc12 | unichem_smiles | 21 |
CC(C)[C@@H](N=C(O)CCc1cccc(Cl)c1)c1ccncc1 | unichem_smiles | 30 |
Cc1ccc[cH-]1.[B].[Y] | unichem_smiles | 15 |
COC(=O)c1cc(C(=O)NC(C)c2nc[nH]n2)n(-c2ccccc2)n1 | unichem_smiles | 39 |
Cc1ccc(Cl)cc1N=C(S)N=C(O)C=Cc1cccc2ccccc12 | unichem_smiles | 31 |
O=[N+]([O-])c1ccc(N2CCN(C(=S)N=C(O)C=Cc3ccccc3)CC2)c(Cl)c1 | unichem_smiles | 47 |
CCOc1ccc([NH2+]C(=O)[C@H](C)N(C)Cc2cc(OC)c(OC)cc2C)cc1 | unichem_smiles | 42 |
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2C1c1ccc(OC)c(OCC)c1 | unichem_smiles | 55 |
C=CC(O)=NCCC(O)=NC(c1ccccc1)c1cccc(F)c1 | unichem_smiles | 27 |
CC(C)(C)c1ccc(/N=C\c2ccccc2I)cc1 | unichem_smiles | 23 |
CC[C@@H](C)S[C@H]1CCCCC1=O | unichem_smiles | 20 |
COC(=O)CN(C(=O)[C@](C)(N)C1CC1)C(C)C | unichem_smiles | 30 |
CC(C)c1cnc(CN(C)C(C)CN)s1 | unichem_smiles | 21 |
CC(C)CC(N)C(O)=NCC(O)=NC(Cc1ccccc1)C(O)=NC(CC(=N)O)C(=O)O | unichem_smiles | 45 |
CC1=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H](c2ccc(N(C)C)cc2)[C@H]1C(=O)Nc1ccc(F)cc1 | unichem_smiles | 64 |
Cc1ccnc(SC2CCCC(C)C2)c1Br | unichem_smiles | 18 |
CC(C)(C)c1cc([N-]c2cccc3cccnc23)c2ncc3ccccc3c2c1.CCC(C)(C)c1cc([N-]c2cccc3cccnc23)c2ncc3ccccc3c2c1.[Fe+2] | unichem_smiles | 72 |
O=S(=O)(O)O[C@H]1[C@H](O)[C@H](Oc2cc(O)cc(/C=C\c3ccc(O)cc3)c2)O[C@@H](CO)[C@H]1O | unichem_smiles | 66 |
COC(=O)c1sccc1CN1CCCC(C(O)=Nc2cccc(C)n2)C1 | unichem_smiles | 31 |
NC(Cc1ncc(Br)cn1)c1ccccc1 | unichem_smiles | 18 |
CCOc1ccc(NC(O)=NCCc2ccc(-c3ccoc3)s2)cc1 | unichem_smiles | 27 |
CC1CCCC(NCCn2cccnc2=O)C1 | unichem_smiles | 16 |
CCN(C(=O)Cn1nnc2c(cnn2C)c1=O)c1ccccc1 | unichem_smiles | 31 |
CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCC1(c3ccccc3)CCOCC1)C2 | unichem_smiles | 42 |
O=S(=O)(O)c1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)Sc2cc(O)cc(O)c2)cc1 | unichem_smiles | 56 |
C[C@@H](N=C(O)Cc1cc2c(cn1)C(N=C(O)O[C@H](C)c1ccc(Cl)nc1)=NC2)c1ccc(Cl)nc1 | unichem_smiles | 58 |
COc1cc(N)ccc1NCCc1ccccn1.Cl.Cl | unichem_smiles | 20 |
O=C(c1ccncc1)N(CCO)Cc1cccc(Br)c1 | unichem_smiles | 25 |
NC1(C(=O)N2CCN(C(=O)C3CCC(C4CCC5SCNC5C4)CC3)CC2)CCC1 | unichem_smiles | 40 |
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