text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
CCCCCC/C=C\C=C/CCCCCCCC(=O)OC[C@@H]1COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=N)nc3O)[C@@H](CC=CCCCC(=O)O1)[C@@H](O)CC(=O)[C@H](/C=C/[C@@H](O)CCCCC)[C@H](O)[C@@H]2O | unichem_smiles | 118 |
Fc1cnc(C(F)(F)F)c(C(F)(F)F)n1 | unichem_smiles | 25 |
Cc1ccncc1C.[B] | unichem_smiles | 11 |
N/C(=C\C=Nc1ccncn1)[N+](=O)[O-] | unichem_smiles | 26 |
CC(O)=NCCN=C(O)c1nc[nH]c1C(O)=NCC(C)C | unichem_smiles | 31 |
COc1ccc(Cl)cc1N=C(O)COC(=O)c1ccc(C(N)=O)cc1 | unichem_smiles | 33 |
C=CCO[C@@H](CO)c1cc(F)ccc1CC | unichem_smiles | 20 |
COc1ccc(/C=N/OCC(O)=NN/C=C2\C=CC=CC2=O)cc1 | unichem_smiles | 32 |
C=C(C)C(=O)Oc1cc2cc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)cc2cc1OC(=O)C(=C)C | unichem_smiles | 59 |
COc1ccc(/C=C2\C(=O)N(c3cc(OC)c(OC)c(OC)c3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O | unichem_smiles | 63 |
OC1=NC2(CCCNCC2)C1 | unichem_smiles | 13 |
Cc1nc2ncnn2c(N2CCC(N3CCCC3C)CC2)c1C | unichem_smiles | 26 |
CC(C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)N1CCCCC1.[I-] | unichem_smiles | 36 |
FC(F)CC1(CBr)CC=CC1 | unichem_smiles | 14 |
OC1=NC(=S)N(C2N=C(S)N=C2O)C1 | unichem_smiles | 26 |
CCCc1ccc(C2(C(=O)Nc3ccc4c(c3)CC(C(C)(C)C)N4)CC2)cc1OCC | unichem_smiles | 43 |
CCCn1c(CCC(O)=N[C@H](C)CC[C@@H]2CCCO2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 | unichem_smiles | 48 |
Cc1cc(C=O)c(OCc2ccc(F)c(Cl)c2)cc1OCc1cccc(-c2ccc3c(c2)OCCO3)c1C | unichem_smiles | 49 |
COC(=O)COC(N=[N+]=[N-])c1ccccc1 | unichem_smiles | 23 |
CN=C(O)c1cccc(N=C(O)N2CC3(CCCC3)C2C(C)C)c1C | unichem_smiles | 35 |
C#[N+]N=P(C1=CC=CCC1)(c1ccccc1)c1ccccc1 | unichem_smiles | 29 |
O=C(N1CCc2ccc(Cl)c(-c3ccccc3O)c2CC1)C(F)(F)F | unichem_smiles | 34 |
Cc1cc(CC(=N)O)nc2ccc(C(F)(F)F)cc12 | unichem_smiles | 26 |
CC(C)C[C@@H](C(O)=N[C@@H](C(O)=NCCCOCCOCCOCCCN=C(O)OCc1ccccc1)C(C)(C)C)[C@H](O)C(O)=NO | unichem_smiles | 64 |
CCCc1cc2c([nH]c3ccccc32)c(CCC)c1OCCCNC(C)C | unichem_smiles | 29 |
CNC(/C(C)=C(\C=C\c1ccccc1)c1ccccc1)c1ccccc1 | unichem_smiles | 30 |
NCC(=O)c1n[nH]c2ccc(C(F)(F)F)cc12 | unichem_smiles | 27 |
CC.CCN.CN(C)CC(O)c1ccc(OC(F)(F)F)cc1 | unichem_smiles | 27 |
CCCCCC(C)CC(=O)N1CCC2(C1)OCc1ccccc12 | unichem_smiles | 24 |
CC(=O)OC[C@H](OC(C)=O)[C@H]1O[C@H](O)[C@@H](OCc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | unichem_smiles | 67 |
CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)N=C(O)CCC(=O)O.CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)N=C(O)CCC(=O)O.[Ca].[HH].[HH] | unichem_smiles | 96 |
CC(C)c1nc(N=[N+]=[N-])nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1 | unichem_smiles | 69 |
CCC[SiH](O)C(C)C | unichem_smiles | 12 |
CC(C)c1coc(C2CS(=O)(=O)CCN2)n1 | unichem_smiles | 24 |
[C-]#[N+]C(C#N)=C1C(=Cc2cc[c-](-c3ccc(N(c4ccc(-c5ccc(C=Cc6cccs6)s5)cc4)c4ccc(-c5ccc(C=Cc6cccs6)s5)cc4)cc3)[s+]2)C(=O)c2ccccc21 | unichem_smiles | 99 |
C[C@@H]1CCC[C@@H](C(=O)N2CCCC2)[NH2+]1 | unichem_smiles | 28 |
CCC(C)(C)C1CCCN[C@@H]1C | unichem_smiles | 17 |
COc1ccc(C(=O)c2sc(=Nc3ccccc3)[nH]c2NN=C(C)C)cc1 | unichem_smiles | 37 |
CC(CN)C1c2occc2CCC12CC2 | unichem_smiles | 15 |
Cc1ccc(CC(C)N=C(O)CCN=C2NS(=O)(=O)c3ccccc32)c(C)c1 | unichem_smiles | 40 |
CCSCCC(C)NC(=O)c1ccc(OC(F)F)cc1 | unichem_smiles | 23 |
CC(N)C(NC(=O)c1ccc(C#Cc2ccc(CNCC(C)(C)C)cc2)cc1)C(O)=NO | unichem_smiles | 42 |
c1nc2cc(N(c3ccc(-c4ccc(N(c5ccc6scnc6c5)c5ccc6scnc6c5)cc4)cc3)c3ccc4scnc4c3)ccc2s1 | unichem_smiles | 58 |
CCCC(C)N=C(O)C1N(CCCCO)C(=O)C2C(C(O)=NCc3ccccc3)C3(C)CCC21S3 | unichem_smiles | 46 |
Cc1ccc2[nH+]c(SCC(=O)N3CCCc4ccccc43)nc(=O)n2c1 | unichem_smiles | 36 |
CCN=C(O)c1cccc(N=C(O)CN2C[C@@H](CN)[C@H](c3ccccc3)C2)c1.Cl | unichem_smiles | 44 |
CNC(C1=CCCCO1)c1ccccc1Br | unichem_smiles | 16 |
CCCCCC(=C1CC(C)(C)C(C=O)=N1)c1[nH]c(C=O)c(C)c1C | unichem_smiles | 40 |
CC(C)N=c1[nH]c(N2CCc3ccccc3C2)nc2ccccc12 | unichem_smiles | 30 |
CCCc1ccc(NC2COc3cc(O)ccc32)cc1 | unichem_smiles | 19 |
COc1ccc(COC(=O)CN2C(=O)[C@]3(CCCC[C@@H]3C)N=C2O)cc1F | unichem_smiles | 41 |
CC(C)CN(CC(=N)O)C(=O)c1ccnc(N2CCN(C)CC2)c1 | unichem_smiles | 35 |
C=C/C=C(\C=C)c1cc(N)ccc1C(=O)OC | unichem_smiles | 26 |
Cc1cccc(C)c1[P+](=O)c1c(C)cccc1C | unichem_smiles | 25 |
COc1ccc(C)cc1CC(O)Cc1ccc(Cl)cc1Cl | unichem_smiles | 23 |
CCCCOCCCNC(=NCC)NCC1(C)COC1.I | unichem_smiles | 20 |
CCC1(CC)CNCC(c2ccccc2Cl)OC1 | unichem_smiles | 17 |
CC[C@@H]1C[C@H](C(=O)N2CCN=C(O)[C@H]2CC(C)C)CCO1 | unichem_smiles | 41 |
CCC1CCC(N)(c2nc(Cc3nc(C)cs3)no2)CC1 | unichem_smiles | 25 |
CCOc1cc(Cl)ccc1NC(O)=NC(C)CCS(C)(=O)=O | unichem_smiles | 27 |
COC(=O)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 | unichem_smiles | 66 |
CSc1cccc(N(c2cnc(Cl)nc2Cl)C(C)(C)C(=O)O)c1 | unichem_smiles | 33 |
FC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)C(F)F | unichem_smiles | 54 |
COc1ncnc2c1CN(C(O)=Nc1ccc3oc(C)nc3c1)CC2 | unichem_smiles | 30 |
N#Cc1ccc(OCCO/N=C\c2ccc(Cl)cc2)cc1 | unichem_smiles | 26 |
COCC(C)OC(=O)C(C#N)=Cc1cc(Cl)ccc1F | unichem_smiles | 26 |
Cc1cc(CC(C)C)cc(=O)n1C | unichem_smiles | 19 |
CCSSc1nnc(SSC)s1 | unichem_smiles | 12 |
CC1CC1c1ccc(CNCC2CCCCC2O)o1 | unichem_smiles | 18 |
Cc1ccc(CN(C)Cc2c(C)nn(C)c2C)s1 | unichem_smiles | 26 |
CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(O)=NS(=O)(=O)c3ccc4cccc(OCCN5CCOCC5)c4c3)cc2C(=O)N2Cc3ccccc3C[C@H]2CN)c(C)c1Cl | unichem_smiles | 81 |
CN1CCCC2CN(CC(F)F)CCC21 | unichem_smiles | 14 |
CC(C)C(O)CN=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1 | unichem_smiles | 33 |
NC(Cn1nccc1Br)C(=O)O | unichem_smiles | 16 |
CN(C(=O)C1(CN)CCCCC1)c1ccncc1 | unichem_smiles | 22 |
CC(C)(C)OC(=O)N1CC(CO)[C@@H]1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(O)=NC1CCCCC1)c1cccnc1 | unichem_smiles | 61 |
COCc1cc(NC(O)=NCc2ccc(OCc3ccccc3F)cc2)ncn1 | unichem_smiles | 29 |
CCN(Cc1ccc(OC)nc1)C(C)CC(=O)O | unichem_smiles | 23 |
C=C(C)[C@@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)[C@]23O[C@]12C(=O)C(O)=CC3=O | unichem_smiles | 67 |
C[C@@H](N=C(O)c1cc2ccccc2c2cccnc12)[C@H]1CCCO1 | unichem_smiles | 33 |
CNc1ccc2ccn(Cc3cc(F)cc(F)c3)c2c1 | unichem_smiles | 26 |
C[C@H](N)c1ccc(Oc2ccc(F)cc2F)nc1 | unichem_smiles | 25 |
CCOC(=O)c1cnc(N2CCCC2)nc1CSc1nnc(-c2ccc(OC)cc2)n1C | unichem_smiles | 36 |
CC(O)=NC[C@@H](C)CO | unichem_smiles | 13 |
C[N+](C)(CCN1CC2=C(C1=O)[C@@H](c1ccc(C#N)cc1)N=C(O)N2c1cccc(C(F)(F)F)c1)CCN1CC2=C(C1=O)[C@@H](c1ccc(C#N)cc1)N=C(O)N2c1cccc(C(F)(F)F)c1 | unichem_smiles | 108 |
CC(C)(C)C(=O)N1CCC(C(=O)N2CCOc3cc(F)ccc32)CC1 | unichem_smiles | 35 |
C=C1CO[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC)C(O)[C@H](C)O3)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(OCC#Cc3ccccn3)CC(C)C(=O)C(C)[C@H]12 | unichem_smiles | 140 |
COc1ccc(C(c2ccc3cnccc3c2)N2CCCNCC2)cc1 | unichem_smiles | 26 |
Cn1c(=C(C#N)C(O)=Nc2ccccc2)sc(=Cc2ccc(F)c(F)c2)c1=O | unichem_smiles | 44 |
CCc1ccccc1N(CC(O)=N[C@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 | unichem_smiles | 49 |
CCCNC1CCN(C(C)CCCC(C)C)C1=O | unichem_smiles | 20 |
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br | unichem_smiles | 56 |
CCSc1nc(Cl)c2c(n1)CCCO2 | unichem_smiles | 17 |
COCCNCc1cnoc1-c1cc(F)ccc1F | unichem_smiles | 18 |
Cc1cccc(OCOc2cccc(C)c2)c1.Cl.Cl | unichem_smiles | 22 |
COc1ccccc1OCC(=O)OCC(O)=Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 | unichem_smiles | 40 |
CCN1CCC(N(C)C(=O)CSC(C)(C)C)C(C)C1 | unichem_smiles | 29 |
C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CCCO1 | unichem_smiles | 32 |
COC(=O)CC1CCCCN1Cn1nc(Cc2cccs2)n(CCc2ccccc2)c1=S | unichem_smiles | 36 |
CCOc1ccc(N=c2scc(-c3ccc(CC)cc3)n2CCN2CCOCC2)cc1 | unichem_smiles | 34 |
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