text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
CC(O)/C=C\[Se]/C=C\C(C)O | unichem_smiles | 19 |
CCc1ccccc1N=C(O)CNc1ccc(F)cc1NC(C)C | unichem_smiles | 26 |
CC1(C)CC(=O)c2c(CCC(O)=C3C(=O)CC(c4ccccc4)CC3=NCC(=O)O)noc2C1 | unichem_smiles | 49 |
CC(Sc1nnnn1C(C)C)C(O)=NC(C)c1ccc(Cl)cc1 | unichem_smiles | 29 |
CN(C(=O)c1ccnc(OC2CCC2)c1)C(CCO)c1ccccc1 | unichem_smiles | 30 |
C=C(C)N/C=C\C(C)=C/C=NC | unichem_smiles | 21 |
CCOCc1ccc(CN=C(O)c2cn(CC)c3ccc(Cl)cc3c2=O)cc1 | unichem_smiles | 33 |
CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC | unichem_smiles | 42 |
CC(C)C(O)CNCc1ccc(C(=O)O)c(F)c1 | unichem_smiles | 27 |
COC1NC(c2ccccc2)N(OC)C1(OC)C(=O)c1ccccc1 | unichem_smiles | 30 |
CCN(CC)CCN=C(O)c1cc(N=C(O)C2CCCCC2)ccc1N(C)C | unichem_smiles | 35 |
CC1OCCC1N(C)C(=O)COc1ccccc1C#N | unichem_smiles | 23 |
O=C([O-])[C@H](Cc1cnc[nH]1)N=Cc1c[nH]c2ccccc12.O=C([O-])[C@H](Cc1cnc[nH]1)N=Cc1c[nH]c2ccccc12.[Cu+2] | unichem_smiles | 82 |
O=C(CCN1C(=O)CSc2ccccc21)N1CCN(CC=Cc2ccccc2)CC1 | unichem_smiles | 35 |
N[C@H](C(=O)O)[C@@H](O)c1ccc(O)c(O)c1.[Na] | unichem_smiles | 34 |
Cc1cc(NC(C)c2ccc(C)c(F)c2)ccc1F | unichem_smiles | 25 |
Cc1ccc(N=C(O)CCOc2cccc(Cl)c2Cl)cc1S(=O)(=O)N(C)C | unichem_smiles | 38 |
COc1ccc(N=C(O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 | unichem_smiles | 43 |
CCc1ccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1 | unichem_smiles | 46 |
CC(C)(C)OC(=O)C12OC(C)(C=C1c1ccccc1)CCC2=O | unichem_smiles | 31 |
CCc1ccc(CN(C)Cc2noc(Cc3ccccc3)[nH+]2)cc1 | unichem_smiles | 30 |
COc1ccc([C@@H]2[NH2+]CCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 | unichem_smiles | 40 |
CCCOc1cccc(N=C(O)N2CCC[C@H](C(=O)OCC)C2)c1 | unichem_smiles | 33 |
Cc1ccc(F)c(N=C(O)CN2CCCC3(C/C=C\COc4ccccc4C(O)=NCCN=C3O)C2)c1 | unichem_smiles | 49 |
O=C1c2ccccc2CN1CCC(O)=N[C@@H]1CCCN(C2CCCCCC2)C1 | unichem_smiles | 33 |
CC(C)c1ccc([C@@]2(O)CN[C@@H](C(=O)O)C2)cc1 | unichem_smiles | 33 |
CC(N)C1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 | unichem_smiles | 30 |
C.C.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)c5)c4)n3)c2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc... | unichem_smiles | 231 |
C=CC(O)=Nc1cc(Nc2nccc(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCNC | unichem_smiles | 46 |
CCCC1CCN(c2cc(Br)ccc2C#N)CC1 | unichem_smiles | 19 |
COc1ccc(C(=O)COc2cc(C)ccc2Cl)cc1Cl | unichem_smiles | 24 |
CCCC(OON=[N+]=[N-])C(C)C | unichem_smiles | 17 |
COc1ccc(C(C)=NC2CCOC23CCN(C(=O)OC(C)(C)C)CC3)cc1 | unichem_smiles | 35 |
CON(C)C(=O)C(N)C1CCN(C)CC1 | unichem_smiles | 22 |
COc1cccc(CCNC(=O)c2nc(C(=O)N3CCCC3)c3n2CCCC3)c1 | unichem_smiles | 34 |
COC(=O)c1cc(C2CCN(C)CC2)ccc1F | unichem_smiles | 23 |
O=S1(=O)CCCC[C@@H]1C(O)=Nc1cccc2c1OCCO2 | unichem_smiles | 30 |
COc1cccc(CCC(O)=Nc2c(F)cccc2F)c1OC | unichem_smiles | 23 |
CC(O)=NC(CC(=O)N1CC(C)C(O)=Nc2ccccc21)c1ccccc1 | unichem_smiles | 33 |
C=CCOc1ccc(C=CC(=O)OCC(O)=NCc2cccc(Cl)c2)cc1 | unichem_smiles | 32 |
O=S(=O)(c1ccccc1F)N1CCCC1C1CCCCC1 | unichem_smiles | 23 |
CC1=C(C(=O)N2CCC(C)CC2)C2=N[C@H](c3cccc(F)c3)CN2N1 | unichem_smiles | 41 |
CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@@]21C)OCCO5 | unichem_smiles | 64 |
CC1=Cc2c(cc(-c3ccc(C)cc3)cc2-n2cccn2)C1 | unichem_smiles | 30 |
CCCNC(C)CCCCOc1c(F)cccc1F | unichem_smiles | 16 |
C[C@H]1CC2(CC2O)O[C@H]1c1[nH]nc2c(=O)[nH]c(=N)[nH]c12 | unichem_smiles | 47 |
OC[C@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1 | unichem_smiles | 45 |
CCN(CC)C(=S)SCC(O)=NCc1ccc(N(C)C)cc1 | unichem_smiles | 28 |
Cc1c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)sc2[nH]c(Cc3ccccc3)nc(=O)c12 | unichem_smiles | 52 |
FC1=C(F)C(F)=C(F)C2(F)C(F)(F)C2(F)C1=[F+] | unichem_smiles | 37 |
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccc(Cl)c(Cl)c1 | unichem_smiles | 51 |
COCCc1nc2c(=N)[nH]c(C)cc2n1CCOCCN=C(O)NC1CCCCC1 | unichem_smiles | 36 |
Nc1cccc(CC2=CCc3ncccc32)c1 | unichem_smiles | 17 |
COc1cc(C(O)=NCC(C)CCN)cc(OC)c1OC | unichem_smiles | 24 |
C[C@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 | unichem_smiles | 49 |
CC1(C)CCC(C)(C)c2cc3c(=O)/c(=N/Nc4ccc(C(=O)O)cc4)c(=O)c(=O)c3cc21 | unichem_smiles | 54 |
C[C@H](N)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](C)N)[nH]4)cc3)nc2)[nH]1 | unichem_smiles | 49 |
COc1cc([C@H]2[C@H](O)C(=O)N2c2ccc3c(c2)OCO3)cc(OC)c1OC | unichem_smiles | 44 |
COCCCCN1CCC(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1 | unichem_smiles | 32 |
CCCCCCCCc1cc2c(CCCC)c(O)ccc2o1 | unichem_smiles | 18 |
CC(C)(C)C(CCCl)NC(=O)c1ccc([N+](=O)[O-])o1 | unichem_smiles | 31 |
COc1ccc2c(O)nn(S(=O)(=O)c3cccc(Cl)c3Cl)c2c1 | unichem_smiles | 33 |
CCc1ccc(C(N)C2CC3CCC2C3)cc1CC | unichem_smiles | 21 |
COc1ccc(C[C@@H]2CC(O)=NC2=O)cc1OC | unichem_smiles | 24 |
c1cc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3-n3c4ccccc4c4ccccc43)n2)nc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2C2c3ccccc3-c3ccccc32)c1 | unichem_smiles | 81 |
COc1ccc(CN2CCN(Cc3cnn(C)c3C3CC3)CC2=O)cc1 | unichem_smiles | 32 |
NC(=O)c1ccc(CNCOCc2cccs2)cc1 | unichem_smiles | 20 |
COc1cc(C[NH2+]C[C@H]2CC[NH+](C(C)C)C2)cc(Cl)c1OC | unichem_smiles | 39 |
CCC[C@H]1[C@H]2C[C@H](CC3=CCNC(=C3)Nc3cc4c(O)c(ccc4cc3Cc3ccccc3)C[C@H](O)CNC[C@@H](C)c3c[nH]c(c3)C3(CCCCC3)[C@@H]1O)C[C@@H]1C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)[C@H](O)C(=O)[C@H]1C2 | unichem_smiles | 150 |
CCCCCCCCCCCCCCOc1ccc(CN(C(=O)c2ccc[n+](CC)c2)c2ccccc2)c(C)c1 | unichem_smiles | 40 |
Cc1nc2cc([C@@H]3CCCN3C(=O)C(C)(C)C)[nH]n2c(=O)c1CCC(=O)N1CCOCC1 | unichem_smiles | 51 |
CN=C(NCc1ccc(N2CCSCC2)cc1)NCC1(CCOC)CCC1 | unichem_smiles | 28 |
COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)c3)n2)cc1 | unichem_smiles | 46 |
COC1=C(OC)C(=O)C(Cc2ccc(-c3ccccc3)c(C(=O)O)c2)=C(C)C1=O | unichem_smiles | 46 |
Cc1c(C=O)c2ccccn2c1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 | unichem_smiles | 63 |
CC(C)CCC(O)=NN=C(O)c1cnc(Cc2ccccc2F)s1 | unichem_smiles | 29 |
COc1cccc(O)c1C(=O)C=Cc1ccc(Cl)cc1 | unichem_smiles | 25 |
N#C[C@@H](Cl)CN1CCSSCC1 | unichem_smiles | 16 |
CCCC(O)CCCOC(C)(C)C | unichem_smiles | 12 |
COCC1=CS[N+](C)(C)C(C(O)=NO)C(S(=O)(=O)c2ccc(OC)cc2)=C1 | unichem_smiles | 42 |
CC(C)C(=O)c1nc(N=[N+]=[N-])cn1C | unichem_smiles | 25 |
CC(C)(C)c1nc(SC2CCCc3ccccc32)n[nH]1 | unichem_smiles | 25 |
[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCCN(C)C.[Sn] | unichem_smiles | 28 |
O=C(O)c1ccc([C@H]2CC(O)=Nc3c2c(O)nn3C2CCCCCCC2)cc1 | unichem_smiles | 38 |
Cn1cnc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1 | unichem_smiles | 36 |
CC1Oc2ccccc2N(CCC(O)=NC2CCCNC2C)C1=O | unichem_smiles | 25 |
CC(C)CC(NS(C)(=O)=O)C(O)=NCC1CCCC1O | unichem_smiles | 25 |
CC(C)=CC[C@]12C/C=C(\C)COc3cccc(C=O)c3C(O)=C(C(=O)C=C1C)C2=O.CC(C)=CC[C@]12C/C=C(\C)COc3cccc4c3C(=O)[C@](C(=O)C=C1C)(C2=O)[C@@H]4O | unichem_smiles | 106 |
CCOc1ccc(/C=C(/C#N)C([O-])=Nc2cccc(Cl)c2Cl)cc1 | unichem_smiles | 33 |
CC(SSc1ccccn1)(C(=O)On1c(O)ccc1O)c1ccccc1 | unichem_smiles | 29 |
C[C@H]1C2=CCC=C2CC[C@@H]1P(P)PP | unichem_smiles | 26 |
CCCC1CC(CNC2CC2)(c2cccc(Br)c2)C1 | unichem_smiles | 21 |
CC1(C)CC(=O)C([C@H](Sc2ccccc2)c2ccc3ccccc3c2)=C(O)C1 | unichem_smiles | 38 |
CC(C)c1nnc(SCC(O)=Nc2ccccc2C#N)n1-c1ccccc1 | unichem_smiles | 32 |
O=C(O)[C@@H](Cc1ccc(Cl)cc1)N=C(O)c1cc(N2CCCc3ccccc32)nc(-c2ccc(-c3ccccc3)cc2)n1 | unichem_smiles | 56 |
COc1ccc2sc(C(O)=NCc3cccs3)c(OCc3ccccc3)c2c1 | unichem_smiles | 31 |
C=Cc1c(F)cc(C2C(C(O)=Nc3ccc(Cl)c(C(=O)Cc4ccc(F)cc4F)c3)C2(Cl)Cl)cc1F | unichem_smiles | 57 |
C=c1cc2c(cc1S(=O)(=O)O)=C(c1ccc(S(=O)(=O)O)cc1S(=O)(=O)O)c1cc(S(=O)(=O)O)c(Nc3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)cc1O2 | unichem_smiles | 101 |
Cc1csc2[nH+]c(CN3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)cc(=O)n12 | unichem_smiles | 44 |
O=C([O-])Cc1ccc2[nH]c(=Nc3ccccc3)oc2c1 | unichem_smiles | 30 |
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