text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
COc1cccc(-c2ccc(CNCCc3c[nH]c4ccc(OC)cc34)o2)c1 | unichem_smiles | 32 |
[N-]=[N+]=NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1 | unichem_smiles | 30 |
CC[C@H](C)N=c1[nH]c(-c2cccc(OC(F)(F)F)c2)cc(=Nc2cc(Cl)ccc2Cl)[nH]1 | unichem_smiles | 51 |
CCN=C(O)Nc1ncnc2c1ncn2C1OC(C(=O)N2CCC[C@@H]2C(=O)O)C2O[C@@H](c3ccccc3)OC21.CCN=C(O)Nc1ncnc2c1ncn2C1OC(C(=O)N2CCC[C@@H]2C(=O)O)C2O[C@H](/C=C/c3ccccc3)OC21.CCN=C(O)Nc1ncnc2c1ncn2C1OC(C(=O)N2CCC[C@H]2C(=O)O)C2O[C@H](/C=C/c3ccccc3)OC21 | unichem_smiles | 189 |
C=CCOc1ccc(C(=O)N/N=C(/C)CCC)cc1 | unichem_smiles | 25 |
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccco1)c1ccccc1 | unichem_smiles | 31 |
Cc1nc(N[C@H](C)c2ccc(-n3cccc3)cc2)c2c(n1)c(C)nn2C | unichem_smiles | 39 |
CN=C(NCCN=C(O)C1CCCCC1)NCC(C)(C)N1CCCCC1.I | unichem_smiles | 32 |
CC[Si](CC)(CC)C[Si](Cc1ccccc1)(Oc1c(F)c(F)c(F)c(-c2c(F)c(F)c(N=[N+]=[N-])c(F)c2F)c1F)C(C)C | unichem_smiles | 74 |
COc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1 | unichem_smiles | 24 |
O=C(NCc1ccc2c(c1)OCCCO2)c1ccncc1O | unichem_smiles | 26 |
CCCOc1ccc(CN(CCC)S(=O)(=O)c2cn(C)cn2)cc1OCC | unichem_smiles | 31 |
OC(=Nc1ccc(Br)cc1)c1ccc(N2CCOCC2)nn1 | unichem_smiles | 26 |
Cc1nn(C2CCCC(O)(C#Cc3ccccc3)C2)c2ncnc(N)c12 | unichem_smiles | 32 |
CC(C)CC(=O)N1CCN(C(=O)c2ccc[nH]2)C2CS(=O)(=O)CC21 | unichem_smiles | 40 |
CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cc(F)cc(F)c4F)CC3)cc2)n(-c2ccc(F)cc2)n1 | unichem_smiles | 57 |
COC(=O)CC(NC(=O)c1ccc(N2CCN(c3ccncc3)CC2)cc1)c1ccccc1 | unichem_smiles | 40 |
O=C(c1ccc[nH]1)N1C=CC=CC1 | unichem_smiles | 21 |
CC(C)NC(=N)NCC(C)(C)c1ccc2c(c1)OCO2.I | unichem_smiles | 30 |
C=CCOC(=O)CN1C(=O)[C@@H]([C@@H](COO[SiH](C)C)C(C)(C)C)[C@H]1[C@@H](C)C(=O)N1C(=O)c2ccccc2OC12CCCCC2 | unichem_smiles | 76 |
CCn1c([C@@H](C)NC(O)=[NH+]CCc2cccc(O)c2)nc2ccccc21 | unichem_smiles | 34 |
CCCCCCCCCCCCCCN(CCC(C)C)C(=O)C(C)C | unichem_smiles | 22 |
CCC(N)(CC)CN=C(O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 | unichem_smiles | 43 |
Cc1cccc(N=C(O)CC(O)=NCC(F)(F)F)c1Cl | unichem_smiles | 27 |
CCOc1ccc(CN(CC)C(=O)Cc2coc3cc(OC)ccc23)cc1OC | unichem_smiles | 30 |
CCc1ccc(C2/C(=C(\O)c3cc(C)ccc3OC)C(=O)C(=O)N2c2cccc(C(=O)OC(C)C)c2)cc1 | unichem_smiles | 57 |
N#CCN(CC#N)C(=O)n1ccnc1 | unichem_smiles | 19 |
CCCCN(Cc1ccccc1Cl)C(O)=NCc1cnn(C)c1C | unichem_smiles | 26 |
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)c(C)c4c(c3C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O4)cc2)n1 | unichem_smiles | 82 |
O=C(CCN=C(O)N1CCc2ccccc2C1)N1CCC(CN2CCCC2)C1 | unichem_smiles | 33 |
CCOc1cc([C@@](Nc2ccc3c(N)nccc3c2)(OC(=O)C(F)(F)F)C(O)=NCc2ccccc2S(=O)(=O)N2CCCCC2)ccc1OC(C)C | unichem_smiles | 68 |
N=C(O)CCC(N=C(O)C1CCCN1)C(O)=NC(Cc1ccccc1)C(O)=NC(Cc1c[nH]c2ccccc12)C(=O)O | unichem_smiles | 59 |
CCOc1ccc(CCN2CC(c3nc(-c4ccc(C)c(C)c4)no3)CC2=O)cc1OCC | unichem_smiles | 40 |
CC1=S=C(c2ccc(-c3cc4c(=O)c5c(C)c6c(c(C)c5c4s3)c(=O)c3cc(-c4ccc(-c5ccc(C)s5)s4)sc36)s2)C=C1.CC1=S=C(c2ccc(-c3cc4c(=O)c5cc6c(cc5c4s3)c(=O)c3cc(-c4ccc(-c5ccc(C)s5)s4)sc36)s2)C=C1 | unichem_smiles | 145 |
COc1ccc(NS(=O)(=O)C2=C(C)N=C(C)C2=C2NN=C(C)O2)cc1F | unichem_smiles | 43 |
COc1ccc(F)cc1CC(O)(CC(C)C)C(=O)Nc1ccc2c(c1)COC2=O | unichem_smiles | 39 |
CCC(N)Cc1cc(C)nc(C2CCCC(C)C2)n1 | unichem_smiles | 24 |
O=C(c1ncccn1)N1CC2(C1)C(CN1CCCCC1)CCS2(=O)=O | unichem_smiles | 35 |
C[C@@H]1C[C@H]2CCCC[C@@H]2N1C[C@@H](O)CN1CCCC1=O | unichem_smiles | 37 |
CC[C@@H](N)C(O)=NN1C(C)CCCC1C | unichem_smiles | 21 |
CC(C)NS(=O)(=O)Cc1ccccc1CN=C(O)C1CCN(c2nc3ccccc3o2)CC1 | unichem_smiles | 41 |
Cc1nn(CC(O)=Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)cc1[N+](=O)[O-] | unichem_smiles | 45 |
CCCCN(CC(O)c1ccc(Cl)cc1Cl)C1CCS(=O)(=O)C1 | unichem_smiles | 30 |
Cc1nc(O)c(C#N)c(C)c1CCC(O)=N[C@H](c1ccc2c(c1)OCCO2)C1CC1 | unichem_smiles | 47 |
CC(C)[C@@H]1C[C@H]1C(=O)ON1C(=O)c2ccccc2C1=O | unichem_smiles | 37 |
CC(c1ccccc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S | unichem_smiles | 33 |
Cc1cccc(CC(O)=NCC(O)=Nc2cccc(C)c2C)c1 | unichem_smiles | 27 |
CC(Oc1cccc(C=C2CCc3c(cnn3C)C2=O)c1)C(=O)O | unichem_smiles | 35 |
CN(CC1CCCCC1)[C@@H](CN)c1ccccc1 | unichem_smiles | 19 |
CC(C)(C)OC(O)=NCCc1cc(-c2ncnc(Nc3cccc(CO)c3)n2)ccn1 | unichem_smiles | 37 |
C[C@@H]1Nc2ccccc2Cc2c1ccc1ccccc21 | unichem_smiles | 23 |
N#CC1CCCCC1NCCN1CCSCC1 | unichem_smiles | 15 |
Cc1cc(C)nc(N2CCN3CCCC3C2)n1 | unichem_smiles | 21 |
CC(C)OC(=O)[C@H](C)CP(=O)(OC[C@H]1O[C@@H](n2ccc(=N)nc2O)C(F)(F)[C@@H]1OC(=O)[C@@H]1CCCN1C)Oc1ccccc1 | unichem_smiles | 76 |
CNC(CSc1cccc(C)c1)c1cccc(C)c1C | unichem_smiles | 22 |
Fc1ccc2c(N3CCCC(n4ccc(C(F)(F)F)n4)C3)ccnc2c1 | unichem_smiles | 33 |
N=C(O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCOC1)S(=O)(=O)c1ccc(Cl)cc1 | unichem_smiles | 47 |
Cc1ccc(CN=C(O)c2ncccc2C#CCO)cn1 | unichem_smiles | 23 |
Cn1cc(N2CCCC(Nc3cc(N4CCCC(CO)C4)ncn3)C2)cn1 | unichem_smiles | 32 |
C[C@H]1CC[C@H](CN)CN1Cc1ccc(F)cc1Cl | unichem_smiles | 27 |
NCC(c1cccs1)N1C2CC3CC(C2)CC1C3 | unichem_smiles | 24 |
CN1CCN(CCCCCCCN2c3ccccc3Sc3ccccc32)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O | unichem_smiles | 56 |
Cc1ccc(CN2CCCC(C(C)(C)C(=O)O)C2)o1 | unichem_smiles | 27 |
CN=C(O)N[C@@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O | unichem_smiles | 72 |
O=C(Nc1ccc(F)c(F)c1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 | unichem_smiles | 42 |
CC[C@@H]1C(OC=O)O[C@@H](COC[C@H]2C(O)C(O)[C@H](COC)O[C@@H]2C(=O)O)C(O)[C@@H]1O.CO[C@@H]1OC(CO)[C@H](O[C@H]2OC(CO)[C@H](OC)C(O)[C@H]2N=C(C)O)[C@@H](O)C1N=C(C)O.CO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2OC(CO)[C@@H](C)C(O)[C@@H]2O)C(O)C1O.OCC1O[C@H](O[C@@H]2C(CO)O[C@H](O[C@@H]3C(CO)O[C@H](O)C(O)[C@@H]3O)C(O)[C@@H]2O)C(O)[C@H](O... | unichem_smiles | 270 |
CC1(C)[C@H](N)[C@@]1(C)C(F)(F)F | unichem_smiles | 25 |
C=CC(=O)OC(COC(=O)C1CC=CCC1C(=O)O)COc1ccc(C2(c3ccc(OCC(COC(C)C)OC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OC(COC(=O)c1cc(-c2ccc(C(=O)O)c(C(=O)C(C)C)c2)ccc1C(=O)O)COc1ccc(C2(c3ccc(OCC(COC(=O)C4CC=CCC4C(=O)O)OC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OC(COC(=O)c1cc(-c2ccc(C(=O)O)c(C(=O)C(C)C)c2)ccc1C(=O)O)COc1ccc(C2(... | unichem_smiles | 305 |
Clc1cc(N2CC(n3ccnn3)=CN2)ncn1 | unichem_smiles | 21 |
CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)N1CCN(C(=O)c2ccccc2N=C(O)c2cccnc2)CC1 | unichem_smiles | 64 |
Cn1cc(C(C)(O)c2cc(F)c3c(c2)C(=O)N(Cc2ccc(Cl)cn2)C3(OCC2(O)CC2)c2ccc(Cl)cc2)cn1 | unichem_smiles | 64 |
CCc1ccc(S(=O)(=O)N2C[C@@H](C)N(CC[NH+](C)C)[C@@H](C)C2)s1 | unichem_smiles | 45 |
COc1cc(C2N=C(O)N=C(C)C2C(=O)OCC(F)(F)F)ccc1O | unichem_smiles | 38 |
CN(Cc1ccccc1)C(O)=NCCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 | unichem_smiles | 47 |
CCC#Cn1cc(C(=N)O)c2c(O)cccc21 | unichem_smiles | 22 |
COc1cccc(N)c1C(O)=NC(C)CN1CCOCC1 | unichem_smiles | 23 |
CC(C)N/C=C(/F)C(N)S(=N)(=O)NC(O)=NC1=C2CC[C@@H](C)C2NC2=C1CCC2 | unichem_smiles | 50 |
Cc1cccc([C@H]2CCCN2C(O)=N[C@@H]2CCc3ncnn3C2)c1 | unichem_smiles | 35 |
Cn1cc(-c2nn(C)cc2C(=O)N2CCCC3(CC3)C2)cn1 | unichem_smiles | 31 |
CCNC1(CO)CCCC(Oc2cc(C)cc(C)c2C)C1 | unichem_smiles | 25 |
Cc1cnc(C)c(NCCCN2CCN(c3ccccc3F)CC2)n1 | unichem_smiles | 29 |
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1cccc(C#[NH+])c1 | unichem_smiles | 40 |
COc1ccc(C(O)=NC2CC(O)=NC2=O)cc1N | unichem_smiles | 23 |
CCC(C#N)OC(=O)c1cc(C)c(F)cc1F | unichem_smiles | 24 |
CC(C)c1cnc2c(NCc3ccccc3-n3cccn3)cc(SC3CCCN(C(=O)OC(C)(C)C)C3)nn12 | unichem_smiles | 49 |
COc1ccc(CNC(=O)c2ccc(CN3CCOc4nc([N+](=O)[O-])cn4CC3)cc2)cc1 | unichem_smiles | 42 |
COCCCc1nc(-c2ccccc2OC)no1 | unichem_smiles | 15 |
c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5oc6ccccc6c45)c4cccc5ccccc45)cc3)cc2)cc1 | unichem_smiles | 48 |
OC(=Nc1cc(Cl)ccc1Cl)Oc1ccc(F)cc1 | unichem_smiles | 23 |
c1ccc(-n2ccc3cc4c(cc32)c2cc(N(c3ccc(-c5cccnc5)cc3)c3ccc(-c5ncccn5)cc3)ccc2n4-c2ccccc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2cc(N(c3ccc(-c5cccnc5)cc3)c3ccc(-c5ncncn5)cc3)ccc2n4-c2ccccc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2cc(N(c3ccc(-c5ccncc5)cc3)c3ccc(-c5ccncc5)cc3)ccc2n4-c2ccccc2)cc1 | unichem_smiles | 186 |
CCn1ncc(Cl)c1C1(N)CCCCCC1 | unichem_smiles | 18 |
CC(C)N=C(O)CS(=O)(=O)Cc1cn2ccccc2n1 | unichem_smiles | 28 |
CN(Cc1ccc([Si](C)(C)C)cc1)CC1CCCO1 | unichem_smiles | 23 |
O=C1CN=C(O)N1CC(O)=NCC1CC1c1ccc(Cl)cc1Cl | unichem_smiles | 30 |
COc1ccnc(N[C@@H]2CC[C@@H](C)N(C(=O)c3cccc(F)c3-c3noc(C)n3)C2)c1C(=O)O | unichem_smiles | 58 |
Cc1cc(C(=O)N2CCOCC2)ccc1NCc1csc(C(C)(C)C)n1 | unichem_smiles | 35 |
O=C(c1ccccc1N=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCCC1 | unichem_smiles | 44 |
COc1ccccc1[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC2)N1CCCC1 | unichem_smiles | 36 |
Cc1ccnc(CN=C(O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 | unichem_smiles | 35 |
Cn1cnc([N+](=O)[O-])c1N1CCC(C(=O)O)C1 | unichem_smiles | 30 |
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