text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
CCN(CC)S(=O)(=O)c1cc2oc(-c3ccc([N+](=O)[O-])cc3)nc2c2ccccc12 | unichem_smiles | 42 |
NC(=S)c1nc(Cl)c(-c2ccccc2)n1S(=O)(=O)c1ccco1 | unichem_smiles | 34 |
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 | unichem_smiles | 53 |
C[C@@H]1CCC[C@H](C)N1CC(=O)N1CCC[C@H]1C(=O)CCc1ccc2c(=N)[nH]ccc2c1 | unichem_smiles | 53 |
Cc1c[nH]c(=NCCS(C)(=O)=O)cc1N | unichem_smiles | 25 |
CC(C)C(C)N(C)C(=O)c1ccc(F)cc1C#CCO | unichem_smiles | 29 |
CNC1c2ccccc2CC1F | unichem_smiles | 11 |
N#CCc1cccc(SC(F)F)c1 | unichem_smiles | 15 |
CCOC(=O)C1CCCN1C[C@H](O)CC | unichem_smiles | 20 |
Cc1c(NC(=O)C(=O)NCCCOC2CCOC2)cccc1C(F)(F)F | unichem_smiles | 32 |
CSc1ncc(C#N)c(N2CCCC(C(F)(F)F)C2)n1 | unichem_smiles | 29 |
OC(=NCc1nccs1)[C@@H]1Cc2ccccc2N1 | unichem_smiles | 24 |
CN=C(NCc1ccccc1NS(C)(=O)=O)NCC(C)(C)N1CCCCC1.I | unichem_smiles | 33 |
Oc1cc(C(O)CN[C@H]2CCC[C@@H]2OCc2ccccc2)c2sc(O)nc2c1 | unichem_smiles | 40 |
CCCCN(CC)CC(=O)c1ccc(C#N)cc1 | unichem_smiles | 20 |
CCOc1ccc(C(C)NCCC(=O)OC(C)(C)C)cc1 | unichem_smiles | 26 |
F[B-](F)(F)F.N#[N+]c1cc(Cl)c(NCc2ccccc2)cc1Cl | unichem_smiles | 35 |
CC[C@H](C)CC(=O)F | unichem_smiles | 14 |
CC(=Nc1ccc(C2CCCC2)cc1)Nc1ccc(C2CCCC2)cc1 | unichem_smiles | 28 |
CC1(C)c2c(cc(-c3c4ccccc4cc4ccccc34)c3ccccc23)-c2c1c1ccccc1c1ccccc21 | unichem_smiles | 44 |
CCCCn1nnnc1COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1 | unichem_smiles | 31 |
CC1(C)CC[C@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1.CC1(C)CC[C@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 | unichem_smiles | 71 |
CC#CC1CCc2nccc(C)c2C1 | unichem_smiles | 16 |
C[C@@H]1CCC[C@H](CN2CCCCC2)[NH2+]1 | unichem_smiles | 24 |
Cc1ccc(C)c(-n2ccnc2SCC(O)=NC[C@H]2COc3ccccc3O2)c1 | unichem_smiles | 37 |
Cc1c(N=C(O)c2ccccc2)cccc1N=C(O)c1cc(-c2cccs2)nc2c1c(C)nn2C | unichem_smiles | 46 |
Cc1cc(N(C)C(=O)C2CCI(Oc3cccc(CCOC(=N)O)c3)CC2)ccc1CN1CCN[C@@H](C)C1 | unichem_smiles | 53 |
CCCc1ccnc(C(=O)O)n1 | unichem_smiles | 15 |
CN(CCCC(=O)O)C(=O)c1cccc(C2(C)N=C(O)N=C2O)c1 | unichem_smiles | 37 |
Cc1n[nH]c(C)c1N1C(=O)CC(c2ccccc2)C1=O | unichem_smiles | 33 |
Cc1ccc(F)cc1NC(C)CC#N | unichem_smiles | 16 |
CC1=CCCC2(C)C(CCC2(O)CN(Cc2cccc3ccccc23)CC(O)CO)c2ccc(cc2C(=O)C2CCCCC2)CC(O)CC1 | unichem_smiles | 55 |
CN=c1nc2[nH][nH]cc-2c(=NC2CCC(C)C2C)[nH]1 | unichem_smiles | 33 |
O=C(O)CC1SC(c2cccs2)=NC1=O | unichem_smiles | 20 |
COc1cc(/C=N/N=C(O)[C@H]2N=NC3=C2CCCC3)cc(OC)c1OC | unichem_smiles | 37 |
CCC(N)Cc1cccc(Cl)c1N(C)C1CCCCC1C | unichem_smiles | 23 |
CC(CCN)CN(C)CCc1cccc(F)c1 | unichem_smiles | 18 |
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CN1c1ccc2c(c1)OCCO2 | unichem_smiles | 48 |
Cn1nccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 | unichem_smiles | 27 |
c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C5(Cc7cc8ccccc8cc7C5)c5ccccc5-6)cc4)cc3)c3ccc4c(c3)C3(Cc5cc6ccccc6cc5C3)c3ccccc3-4)cc2)cc1 | unichem_smiles | 110 |
COc1ccccc1-c1noc(CN2CCOC[C@H]2C)n1 | unichem_smiles | 26 |
Cc1ccc(/C=N/N=C(O)COc2ccccc2-c2ccccc2)c(C)c1 | unichem_smiles | 34 |
Cc1ccc2c(c1)N1[C@@H](C=C2)[C@@]2(C(O)=Nc3ccccc32)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1C(=O)c1ccccc1 | unichem_smiles | 71 |
C=C(CCCC)S/C(C)=C(\C)C(O)=NCc1ncccc1F | unichem_smiles | 27 |
CC(C(=N)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(c5cccnc5)C(=O)CC(C)[C@]4(C)[C@H]3CC[C@]12C | unichem_smiles | 70 |
COc1ccc(CC(C)C(O)=NCc2cccc(Br)c2)cc1OC | unichem_smiles | 26 |
Cl.O[C@H]1[C@H]2CO[C@@H]1CN2 | unichem_smiles | 24 |
CC(C)(CNC1CCC2(CCCC2)CC1)c1cccs1 | unichem_smiles | 21 |
CC(C)(C)c1ccc([C@H]2N=C(O)CC[C@@H]2N)cc1 | unichem_smiles | 32 |
CC(N=C(O)Nc1cccc(C(F)(F)F)c1)c1nnc2n1CCCC2 | unichem_smiles | 33 |
CCCCc1ccc(C=NN=Cc2ccc(C(F)(F)F)cc2)c(F)c1 | unichem_smiles | 31 |
CC(C)(C)CN=c1[nH]c(-c2cn3cc(C#N)ccc3n2)nc2ccccc12 | unichem_smiles | 36 |
CC1CCN(Cc2nc(Oc3ccccc3C(=[NH2+])O)c3c4c(sc3n2)CCC4)CC1 | unichem_smiles | 41 |
Cc1c(C(=O)c2cccs2)ccc(N)c1N | unichem_smiles | 23 |
O=C(NC(c1cccnc1)C(F)(F)F)c1ncc2c(-c3cc[nH+]cc3)cccn12 | unichem_smiles | 41 |
O=C(O)CN=C(O)C(Cc1ccccc1)N=C(O)OCC1c2ccccc2-c2ccccc21 | unichem_smiles | 41 |
FC(F)(F)Oc1ccc(-c2ccco2)c(C2COC3(CCCN[C@H]3c3ccccc3)C2)c1 | unichem_smiles | 44 |
CCCCS(=O)(=O)N1CCC[C@@H]1C(O)=N[C@@H](C)c1cccc(OCC)c1 | unichem_smiles | 39 |
CC1CCC(N2C(=O)C3CCCCC3n3c(SCC(=O)N(C)C)nnc32)CC1 | unichem_smiles | 38 |
CCCCCN(C)C(=O)Cc1ccc(S)cc1 | unichem_smiles | 19 |
O=C(NCC1(CO)CC1)c1n[nH]c2ccccc12 | unichem_smiles | 25 |
Cc1ccc2c(CC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)coc2c1 | unichem_smiles | 35 |
COC[C@H](C)Nc1ncc2c(-c3cnn(C4COC4O[C@@H]4CC[C@@H](c5cc(-c6cnn(C7COC7)c6)c6cnc(N[C@@H](C)COC)nn56)CC4(C)C)c3)cc([C@@H]3CC[C@H](O)C(C)(C)C3)n2n1 | unichem_smiles | 115 |
Cc1ccc(SCCC(=O)N(Cc2ccccc2)c2nc3c(C(C)C)cccc3s2)cc1 | unichem_smiles | 39 |
COCCOCC1CCN(C(O)=NCc2ccc(C)cc2)C1 | unichem_smiles | 24 |
CC(N=C(O)C(F)(F)F)c1ccc(O)cc1 | unichem_smiles | 24 |
COc1cccc(COC2=COC(CCl)=C[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 | unichem_smiles | 45 |
CC(C)N=C(O)N=C(O)COC(=O)CCCC1=NC(=O)C2C=CC=CC2=N1 | unichem_smiles | 41 |
CN1CCN(C(=O)N=c2[nH]nc(-c3cccc[nH+]3)s2)[C@@H](c2ccccc2)C1 | unichem_smiles | 45 |
CSCCC(N)C(O)=NC(CC(=N)O)C(O)=NC(CCSC)C(=O)N1CCCC1C(=O)O | unichem_smiles | 42 |
COc1ccccc1C(C)=CC(O)=Nc1cnc(N(C)C)nc1 | unichem_smiles | 28 |
O=C(O)CC1CCC(NC(=O)c2ccc(CSC3CCNCC3)cc2)CC1 | unichem_smiles | 32 |
O=C(O)c1c(I)ccc(F)c1F | unichem_smiles | 19 |
CC(O)CN(C)C(O)=NCCC(C)(C)CCC(=O)O | unichem_smiles | 25 |
O=C(c1cccc(I)c1)N1CCCC1c1ccco1 | unichem_smiles | 22 |
CN(Cc1[nH+]c2ccccc2s1)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O | unichem_smiles | 41 |
CCCCCCCCCCCCCCCCOC(OCCOCCOCC)C(=O)O | unichem_smiles | 19 |
CCC1CN(CC(C)(C)S(C)(=O)=O)C(C(C)C)CN1 | unichem_smiles | 29 |
C=CCOc1ccc(C(=O)N2C(C(=O)O)CC3CCCCC32)cc1 | unichem_smiles | 32 |
Cc1cccc2c1B(c1c3ccccc3cc[n+]1C)C1Sc3ccccc3C1C2(C)C | unichem_smiles | 39 |
OC(CSc1nnc(-c2cccnc2)n1-c1ccccc1)=NCc1ccc(-n2cncn2)cc1 | unichem_smiles | 37 |
CCCCCC1CCC(c2ccc(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2F)CC1 | unichem_smiles | 43 |
CCSC(C)c1noc(CN(C)C(O)=NC(CC)c2ccc(F)cc2F)n1 | unichem_smiles | 34 |
COCCC1(Cn2c(C(C)C)cnc2SCC(=O)O)CC1 | unichem_smiles | 28 |
C=CC1CCCCN1C(=O)N1CCSCC1 | unichem_smiles | 18 |
Cc1cc(C(=O)N(c2ccc(F)cc2Cl)C(C)C)ccc1[N+](=O)[O-] | unichem_smiles | 40 |
CCOC(=O)[C@H](CCCCN=C(O)OCc1ccccc1)N[C@@H](C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)O | unichem_smiles | 65 |
COC(=O)c1ccc(N(C(=O)c2ccco2)C(C(O)=NC2CCCC2)c2ccncc2)cc1 | unichem_smiles | 43 |
CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(CCC2CCCC2)[C@@H](C(=O)N2CCOCC2)C[C@H](CC(O)=NCCC2=CCCCC2)C(=O)N1CC3 | unichem_smiles | 79 |
CN1CC=C(c2ccncn2)N=C1N1CCOC2CCCC21 | unichem_smiles | 24 |
COc1ccc(/C=C(/C)CNC2CC2)c(OC)c1OC | unichem_smiles | 24 |
COc1c(N)nc[nH]c1=NCCc1cccc(F)c1 | unichem_smiles | 25 |
COC(=O)C(F)(F)S(=O)(=O)OCC12CC3CC(C1)CC(C14CC5CC(CC(C5)C1)C4)(C3)C2 | unichem_smiles | 54 |
CCCCCCCCCCCCCCCCCCCCCC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC | unichem_smiles | 34 |
CCCCOc1cccc(-c2cc(C(O)=Nc3ccc(Cl)cc3Cl)c3ccccc3n2)c1 | unichem_smiles | 35 |
CCCCCC1(C(F)(F)C(C)C(=O)OCC)OCCO1 | unichem_smiles | 26 |
COc1cccc(NN=C(O)C2CCN(c3ccc(Cl)cc3)C2=O)n1 | unichem_smiles | 32 |
CC.ClC1=NCc2ccccc21 | unichem_smiles | 12 |
CN(C)C1CCN(c2ccc(C(O)=NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)cn2)CC1 | unichem_smiles | 46 |
Cc1cc(C(=N)S)cc(NC2C3C4CCC(C4)C23)n1 | unichem_smiles | 30 |
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