text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
CCOCC1CCCCN1C(=O)C(C)N | unichem_smiles | 17 |
O=C(O)c1cnc(NCC2CC3(CCC3)C2)cn1 | unichem_smiles | 25 |
Cc1ccc(OCC(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)cc1C | unichem_smiles | 43 |
Cn1c(/C=C/c2ccccc2O)cc2ccccc21 | unichem_smiles | 21 |
CC(C)(C)c1ccc(OCC(=O)N2CCC(CN)C2)c(C(C)(C)C)c1 | unichem_smiles | 37 |
Cc1ccc(Cn2nc(C)c(CCC(O)=NCCCc3ccc(O)cc3)c2C)cc1 | unichem_smiles | 35 |
CSC1=NC(=O)C2=c3ccccc3=NC(c3cccc(O)c3Cl)N2N1 | unichem_smiles | 34 |
C#CCN=C(O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 | unichem_smiles | 31 |
C=C(N/C=C(\S)C(=O)N1CCNCC1)c1ccnc(Nc2cc(C)cc(C)c2)n1 | unichem_smiles | 45 |
Cc1ccc(S(C)(=O)=O)cc1C(O)=Nc1nc(-c2ccccc2F)cs1 | unichem_smiles | 34 |
COC(=O)c1ccc(-c2nc(CN3CCC(O)=Nc4ccccc43)cs2)cc1 | unichem_smiles | 32 |
O=C(O)[C@@H]1CSCN1C(=O)c1ccccc1Cl | unichem_smiles | 26 |
C[C@H]1CC[C@H](C)N1C(=O)O | unichem_smiles | 23 |
CC1CC1NC(=O)c1ccsc1N=C(O)c1ccc2c(c1)CCC2 | unichem_smiles | 31 |
Cc1ccc(Br)cc1C(=O)N(CC(=O)O)C1CC1 | unichem_smiles | 27 |
CCCCCCOc1ccccc1C(O)=NCCN1CCCC1 | unichem_smiles | 18 |
CC1CN(c2c(C#N)cnn2-c2ccc(C(F)(F)F)cc2Cl)C1=O | unichem_smiles | 36 |
CN1CC(c2ccco2)C2(SC(=S)N(Cc3ccccc3)C2=O)C12C(=O)N(Cc1ccccc1)c1ccccc12 | unichem_smiles | 53 |
Cc1cnn(C2C/C=C\CC(C)(C)CCCCCC2)c1 | unichem_smiles | 26 |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(COC(=O)CCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\CCCCCCC | unichem_smiles | 94 |
CCOC(=O)[C@@H]1[NH+]=c2ccc(OC)cc2=C1[NH2+]C(=O)[C@H](C)N1CCN(c2ccccc2)CC1 | unichem_smiles | 55 |
O=P(c1ccccc1)(c1ccccc1)c1cc(-c2ccc(-c3ncccn3)c(P(=O)(c3ccccc3)c3ccccc3)c2)ccc1-c1ncccn1 | unichem_smiles | 62 |
CCCCCCCCCCCC(NCC)c1ccc(Cl)s1 | unichem_smiles | 15 |
CC(C)CC(N=C(O)Cc1ccc(NC(=NC#N)Nc2ccccc2)cc1)C(O)=NC(CCCCC(N=C(O)CC(C)(C)C)C(=O)O)C(=O)O | unichem_smiles | 70 |
CCOC(=O)c1ccccc1NC1=Cc2oc(-c3ccccc3)cc(=O)c2CC1 | unichem_smiles | 34 |
Cc1csc2nc(COC(=O)COc3ccc(Cl)cc3Cl)cc(=O)n12 | unichem_smiles | 32 |
CC(C)[C@@H](N=C([O-])CO/N=C1/C=C2CC[C@@H]3[C@@H](CC[C@@]4(C)[C@@H]3CC[C@]4(C)O)[C@@]2(C)CC1)C(=O)O | unichem_smiles | 79 |
NN=C(O)C1(c2ccc3ccccc3c2)CCCCC1 | unichem_smiles | 22 |
CC(CN1CC(C)CC(C)C1C)=C1CNC1 | unichem_smiles | 21 |
CCN1C(=O)C(=CNc2ccc([N+](=O)[O-])cc2OC)C(=O)N(CC)C1=S | unichem_smiles | 42 |
Cc1nn(-c2ccccc2)c(C)c1N=C(O)C[NH2+]C(C)c1ccc(Cl)cc1 | unichem_smiles | 41 |
C[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1cccnc1 | unichem_smiles | 33 |
CCOCC1CCN(C(=NC)NCCS(=O)(=O)N(CC)CC)C1.I | unichem_smiles | 32 |
CCCCCCC(C)Nc1ccc(OCC)c(CO)c1 | unichem_smiles | 19 |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCC/C=C\C=C/CCCCC | unichem_smiles | 96 |
Cc1cccc(N2NC(C3CCCO3)=C3CCCCN=C32)c1 | unichem_smiles | 25 |
C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 | unichem_smiles | 42 |
CC1C=CC=C/C1=C(\c1cc(-c2cc3ccccc3c3ccccc23)ccc1Cl)c1ccccc1Cc1ccccc1 | unichem_smiles | 45 |
CC=CCC=CCC=CCCCC(O)=NC1CC1 | unichem_smiles | 15 |
CC[C@@H]([NH+]=C(O)CN1CCN(c2cccc(C)c2C)CC1)c1ccc(C)cc1 | unichem_smiles | 40 |
O[B]OC1=CCCCC1 | unichem_smiles | 10 |
CCc1noc2ncc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)cc12 | unichem_smiles | 35 |
CC(N)CCC(O)=NCCC(=O)N1CCCC1 | unichem_smiles | 18 |
CC=CCSC(C)(C)C(O)=NC | unichem_smiles | 14 |
[NH3+]CC(=O)N1CCn2cccc2[C@H]1c1ccccc1Cl | unichem_smiles | 29 |
CC1(C)O[C@@H]2[C@@H](COc3ccc4cc(Br)c(N)nc4c3)C[C@@H](n3ccc4c(N)ncnc43)[C@@H]2O1 | unichem_smiles | 60 |
Cc1ccc(CNC(=O)c2nnc(C(Cl)=Cc3nc(-c4ccccc4)cs3)s2)cc1 | unichem_smiles | 39 |
CCN(CC)c1ccc(CN2CCN(c3cnn(C)c3)C(=O)C2)cc1F | unichem_smiles | 35 |
CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@H](CC(O)=NCCO)C(O)=N[C@@H](c2ccccc2)COC1=O | unichem_smiles | 59 |
COCCOc1ccccc1[C@](C)(O)CNC(C)C | unichem_smiles | 22 |
OC(Cc1csc(-c2cccnc2)n1)=NC1CCN(Cc2ccncc2)CC1 | unichem_smiles | 32 |
CN1C(=O)[C@@](F)(CC(=O)O)C(F)c2ccc(OCCC3=CN4CCCN=C4N3)cc2C1F | unichem_smiles | 46 |
Cc1ccc(-c2cc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccc(C)cc7c7cc(C)ccc76)ccc54)cc3)nc(-c3ccc(C)cc3)n2)cc1 | unichem_smiles | 79 |
CCCc1ccc(C(=O)Nc2cc(F)cc(C(C)(F)F)c2)cc1C.CCc1cnc2n[nH]cc2c1 | unichem_smiles | 49 |
CC(C)c1csc(N=C(O)c2ccc(=O)n(CC(O)=NCc3ccc(F)cc3)c2)n1 | unichem_smiles | 43 |
Cc1ccc(C)c(N(CC(O)=NCc2ccc(CN3CCCCC3)cc2)S(=O)(=O)N(C)C)c1 | unichem_smiles | 45 |
Cc1nnc(N2CCN(C(=O)c3snnc3C)CC2)s1 | unichem_smiles | 28 |
CCCOC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@@H]6C[C@@H]56)[C@@H]4C3=O)c2)cc1 | unichem_smiles | 74 |
CC1(C)[C@@H]2C[C@H]3OB([C@H](CCCCN)N=C(O)[C@@H]4CCCN4C(=O)c4cccc(Oc5ccccc5)c4)O[C@@]3(C)[C@H]1C2 | unichem_smiles | 75 |
COc1ccc(COC(=O)CCC(NC(O)=NC(CCCCN)Cc2ccc(OC)cc2)C(=O)OCc2ccc(OC)cc2)cc1.O=C=O | unichem_smiles | 55 |
O=C(O)c1ccc(C(=O)OCc2ccccc2)[nH]1 | unichem_smiles | 26 |
CCOc1ccc([N-]C(=O)C(C)[N+](C)(C)C2CCCC2)cc1.Cl | unichem_smiles | 34 |
C[C@@H](OC[C@H]1CCCCO1)C(O)=Nc1ccccc1S(=O)(=O)N1CCCC1 | unichem_smiles | 39 |
CCCNCC(Cc1ccc(C)cc1)C(C)C | unichem_smiles | 19 |
CC(C)CN(N=C(O)C1C=CC(CN2CCN(C)CC2)=CC1)c1nc(C#N)ncc1Br | unichem_smiles | 43 |
CCOc1cccc(N)c1C(=O)c1cc(C)c(C)cc1Cl | unichem_smiles | 28 |
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 |
CC[C@@H]1CN(Cc2cc(N)ccc2OC)CCO1 | unichem_smiles | 23 |
C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)C1CCCC1 | unichem_smiles | 73 |
COC(=O)CCCCCN=c1nnc2ccccc2[nH]1 | unichem_smiles | 22 |
CC1(C(=O)N2CCCC(O)(CO)C2)CCCCCC1 | unichem_smiles | 22 |
CCOC(=O)c1nccn1[C@H](CC)c1ccncc1 | unichem_smiles | 25 |
O=C(NCC1CCCCC1O)c1ccc(CN2CCC(CO)CC2)cc1 | unichem_smiles | 27 |
Cc1nc(COc2cccnc2Cl)sc1C | unichem_smiles | 16 |
CCCCCCCCCC(CCCCCCCC)Nc1ccccc1 | unichem_smiles | 13 |
CC(C)([c-]1cc2ccc(Cl)cc2c1)[c-]1cc2ccc(Cl)cc2c1.C[N-]C.C[N-]C.[Zr+4] | unichem_smiles | 54 |
CC(O)CN1CCN(C(O)=Nc2ccc(C#N)c(Cl)c2)CC1C | unichem_smiles | 32 |
CC(OC(=O)c1ccc(F)cc1)C(O)=NCC(O)=Nc1ccc(F)c(F)c1F | unichem_smiles | 39 |
CC[C@@H](N=C(O)c1ccccc1Cl)c1ccc(OC)c(C)c1 | unichem_smiles | 31 |
CC(CC(/C=C\C1CCCCC1)C1CCCCC1)C1CCCCC1 | unichem_smiles | 25 |
C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C | unichem_smiles | 74 |
COc1cccc(CN=C(O)c2cc(Cl)c(C(O)=NCCN=C(O)N[C@@H]3CCc4ccccc43)c(Cl)c2)c1 | unichem_smiles | 54 |
CC#Cc1cc2c(COc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)ccnc2[nH]1.CC#Cc1nc2c(COc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)ccnc2[nH]1.Cc1cc(-c2cnc(N)c(OCc3ccnc4[nH]c(C(F)F)nc34)n2)cc2c1CCN(C)C2.Cc1cc2c(COc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)ccnc2[nH]1 | unichem_smiles | 191 |
CC1CCC2(CC1)N=C(c1cnccn1)NO2 | unichem_smiles | 21 |
Cc1nc(OCCN2CC(O)(c3ccccc3)C2)c2ccccc2n1 | unichem_smiles | 29 |
CCCCN(CC)CCN=C(O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 | unichem_smiles | 42 |
O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)OCO3)N(c1ccc(-n3ccnc3)cc1)C2 | unichem_smiles | 51 |
Cc1ccc([C@H](N=C(O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 | unichem_smiles | 39 |
CCCn1c(C)c(C(=O)N(C)C(C)CS(C)(=O)=O)c2cc(OC)ccc21 | unichem_smiles | 39 |
O=C(c1cc2nccc(Oc3ccc(N=C(S)N=C(O)Cc4ccccc4)cc3F)c2s1)N1C=CC=CC1 | unichem_smiles | 52 |
CC(C)N[C@H](CN)c1ccc(Br)s1 | unichem_smiles | 20 |
O=[N+]([O-])c1ccccc1CC(O)=NCC(O)=NCC1CC1 | unichem_smiles | 28 |
CCCCC(=O)N(CC(C)C(=O)OC)C1CCCCCCC1 | unichem_smiles | 24 |
Cc1ccc(NC(=O)CN2CCC3(CCC3)C2)cc1C | unichem_smiles | 24 |
COc1cc(N=C(O)C(N=C(O)C2CCN(CC(O)=Nc3cc(C(O)=Nc4c(F)cccc4F)ccc3C)CC2)C(C)C)ccc1N=C(O)c1ccccc1F | unichem_smiles | 75 |
O=C(O)Nc1cc(F)ccc1C(O)=NC1(c2ccc(Cl)cc2)CC1 | unichem_smiles | 33 |
CCc1ccc(SCC(=O)O)cc1 | unichem_smiles | 15 |
C=C1NC2CN(C(=O)C[C@@H]3CCc4cc(C(O)(C(F)(F)F)C(F)(F)F)ccc4N3S(=O)(=O)c3ccc(F)cc3)CC2c2ccccc21 | unichem_smiles | 73 |
COCc1ccccc1CNC(C)c1oc2ccccc2c1C | unichem_smiles | 22 |
CC1CN(Cc2ccc3c(=N)[nH]cnc3c2)C(=O)C(=O)N1C/C=C/c1ccc(Cl)s1 | unichem_smiles | 49 |
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