text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
NCC(O)C(O)(CCO)CCO | unichem_smiles | 14 |
Cc1noc([C@H](C)S(=O)(=O)Cc2cc(Cl)c3c(c2)OCO3)n1 | unichem_smiles | 40 |
Cn1c(=Nc2ccc(Cl)c(C3CC=CS3)c2)[nH]c2cc(Oc3ccnc(C(N)=O)c3)ccc21 | unichem_smiles | 49 |
CCc1cnc(SC(C)C(O)=Nc2nc(C)c(C)s2)[nH]1 | unichem_smiles | 32 |
CC(C)CCOc1ccnc(CNC(C)C)c1 | unichem_smiles | 20 |
CCC(Sc1ccccc1)C(O)=Nc1cccc(CN2CCOCC2)n1 | unichem_smiles | 26 |
COC(=O)c1cc(Br)cc(C#N)c1C | unichem_smiles | 21 |
CB(O)c1ccc(COc2ccc3nc(C4=NC(C(=O)O)CS4)sc3c2)cc1 | unichem_smiles | 37 |
CC(N)Cc1ccc(N2CC(C)OC(C)(C)C2)nc1 | unichem_smiles | 26 |
Cc1cccc(C)c1N=C(O)c1ccc2ncoc2c1 | unichem_smiles | 24 |
CN(C(=O)CC(N)CCCN)C1CN=C(NC(=N)O)N=C1O | unichem_smiles | 32 |
CCOc1ccc([C@@](O)(CC(C)C)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 | unichem_smiles | 39 |
CC(NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)C1CCOC1 | unichem_smiles | 32 |
CC(C)OC(=O)C(C)N(C)C(=O)c1cc(C2CC2)nc2ccccc12 | unichem_smiles | 36 |
Cc1cc(C)cc(-n2ccnc2SCCC(F)(F)F)c1 | unichem_smiles | 25 |
CN(C)C(=O)c1ccc([NH2+]C(=O)COC(=O)c2cc3nc(N(C)C)n(-c4ccccc4)c3s2)cc1 | unichem_smiles | 55 |
Cc1ncc(C(=O)N2CCOC(C3CCCO3)C2)c(C)n1 | unichem_smiles | 31 |
CC1(C)CC[C@H](N2C(=O)CN(C3CCC3)C2=O)C1 | unichem_smiles | 32 |
O=C(O)c1cc(Cl)c2nc(CN3CC4CC4C3)n(CC3CCO3)c2c1 | unichem_smiles | 37 |
CCCCc1c(C#N)cnc2ccc(C=S3CC(O)=NC3=N)cc12 | unichem_smiles | 29 |
O=[N+]([O-])c1cccc2[nH]cc(CN3CCC4C(O)=NC(c5ccc(Cl)cc5)NC4C3)c12 | unichem_smiles | 45 |
CNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)c2oc3ccccc3c2C)c1 | unichem_smiles | 41 |
COc1cc(/C=N\NC(S)=NC[C@@H]2CCCO2)ccc1OS(=O)(=O)c1cc(C)ccc1C | unichem_smiles | 43 |
CCCCCCOc1ccccc1Oc1cccc(CC)c1CC | unichem_smiles | 18 |
CCOC(CN)Cc1ccc(OCCc2coc(-c3ccccc3)n2)cc1 | unichem_smiles | 27 |
COc1cccc2c1CCN(C(O)=NCCCCCN1CCCCC1)C2 | unichem_smiles | 24 |
CCOC(=O)C(=NOC)C(O)C(F)(F)F | unichem_smiles | 23 |
CCCc1nc2c(n1CC(C)N1CCCC1)CCNC2 | unichem_smiles | 21 |
[N-]=[N+]=NCC(CS)c1ccccc1 | unichem_smiles | 18 |
Cc1cccc(N)c1C(O)=NCC1CCN(C)CC1 | unichem_smiles | 23 |
COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)[O+]=CO[N-][O-])C(=O)OC2.[Re].[Rf] | unichem_smiles | 54 |
Cc1ccc(OS(=O)(=O)c2ccc(Cl)s2)cn1 | unichem_smiles | 24 |
O=C(O)c1ccc2c(c1)nc(O)n2-c1cc(Cl)cc(Cl)c1 | unichem_smiles | 34 |
Cc1nc(C(C)N=C(O)N2CCC(Cc3ccccc3)C2)cs1 | unichem_smiles | 31 |
CCN(CCC(=O)OC)C(=O)C1CCCCN1C(C)C | unichem_smiles | 25 |
CN(c1ccc(F)cc1)c1cccnc1C(=O)O | unichem_smiles | 22 |
CN=C(NCCc1c[nH]c2ncccc12)N(C)Cc1ccc2c(c1)OCO2 | unichem_smiles | 36 |
Nc1c2c(cc(=O)n1-c1ccc(NC(=O)CN3CCCCC3)cc1)C(O)=NC2=O | unichem_smiles | 41 |
Cc1c(C(=O)CC(C)C)ccc[n+]1-c1cccc(N=C(O)CC(C)C)n1 | unichem_smiles | 41 |
C=C(C(=N)[C@H](C)CCCCC)[C@H](C(C)=O)C(C)C | unichem_smiles | 33 |
CC(C)=CCOc1cccc(C(=O)N(CC(F)(F)F)C2CC2)c1 | unichem_smiles | 32 |
CCCCCCCC1=C2C(C)=C(CC)C(C)N2[B]n2c(C)c(CC)c(C)c21 | unichem_smiles | 39 |
CCc1cc(Br)c(OC)c(C(O)=NC2CCN(Cc3ccccc3)CC2)c1O | unichem_smiles | 35 |
CN(C)CCN1C(=O)c2cccc3cc(C=Cc4ccccn4)cc(c23)C1=O | unichem_smiles | 36 |
NN.NN.NN.NN.O=P1(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O1 | unichem_smiles | 38 |
CN(C)C(O)=NCCNc1ncc(N)cc1C(N)=O | unichem_smiles | 25 |
COC(=O)[C@@H]1CCc2nc(CCc3ccccc3)nn2C1 | unichem_smiles | 27 |
C[C@H]1[C@@H](c2ccccc2)OC(=O)N1Cc1ccc(OC2CCCCC2)cc1 | unichem_smiles | 38 |
CC(c1cccc([N+](=O)[O-])c1)N(C)CC(O)=Nc1cc(C(F)(F)F)ccc1-n1c[nH+]cn1 | unichem_smiles | 52 |
C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCO2)C(O)=Nc1sccc1C(N)=O | unichem_smiles | 45 |
Cc1cccc(C(=C/C=C/c2ccc(N3c4ccc(C=C(c5ccccc5)c5ccccc5)c(N(Cc5ccccc5)Cc5ccccc5)c4C4CCCC43)cc2)c2cccc(C)c2)c1 | unichem_smiles | 79 |
COCCN1CC(O)=N[C@@H](C(O)=NC2CCC(O)CC2)Cc2ccc(cc2)OCC(O)=N[C@@H](CC(C)C)C1=O | unichem_smiles | 56 |
N=c1ncn(CC(=O)N2CCN(c3ccccc3)CC2)[nH]1 | unichem_smiles | 30 |
CCOCC(=O)OCC(O)=NNC(=O)c1ccc(OC)cc1 | unichem_smiles | 26 |
NS(=O)(=O)NCc1cc(/C=C/C(=O)O)cs1 | unichem_smiles | 26 |
CC1=CC(c2cccc(C(=O)O)c2)C2=C(CC(c3ccccc3)CC2=O)N1 | unichem_smiles | 39 |
CCn1nnnc1-c1cccc(N=C(O)c2c(C)nn(-c3ccccc3)c2C)c1 | unichem_smiles | 37 |
O=C(O)c1nnsc1C(=O)N1CCOCC1 | unichem_smiles | 22 |
C1=CC2OC3CC(c4ccccn4)C=CC3C3(C4=CCCC=C4OC4C=C(N5C6=C(CCC=C6)OC6=C5CCC=C6)C=CC43)C2C=C1 | unichem_smiles | 68 |
CC(C)C[C@@H](N)c1nc(C(O)=NC2CCc3ccccc32)cs1 | unichem_smiles | 31 |
C=NN(/C=C\C)c1ccc(C(C)C)cc1OC | unichem_smiles | 23 |
CCN(CC)CCCC(C)N=C(O)C1CN(S(C)(=O)=O)C1 | unichem_smiles | 30 |
Cc1nc2nc(C)c(OC3CCN(c4cnc(-c5ccc(CN6CCOCC6)cc5)cn4)C3)c(C)n2n1 | unichem_smiles | 49 |
O=[N+]([O-])c1ccc(COc2ccc(/C=N/NC(S)=Nc3ccccc3)cc2)cc1 | unichem_smiles | 38 |
COc1ccc(OC)c(N=C(O)Cc2cn3ccc(C)cc3[nH+]2)c1 | unichem_smiles | 35 |
C[C@H](CO)Oc1nccc(-c2cnc([C@@H]3CC[C@@H]4CC(c5c(-n6cnnn6)ccc(Cl)c5F)=CC(=O)N43)[nH]2)c1F | unichem_smiles | 68 |
NCCCCC(C(=O)O)N1C(=O)CCCCCCCC1=O | unichem_smiles | 23 |
CCCNC(CC)c1ccc(-c2nccn2CC)cc1 | unichem_smiles | 19 |
CCS(=O)(=O)N1CCN(C(=O)C(C)c2ccc(Br)s2)CC1 | unichem_smiles | 34 |
O=C(NC[C@H]1CCN(Cc2ccc3nonc3c2)C1)c1ccncn1 | unichem_smiles | 34 |
CCOc1ccc(NC(=O)C(=O)NC(C)CN2CCCC(C)C2)c2ncccc12 | unichem_smiles | 34 |
CC[C@]1([C@@H]2C[C@H]2C)CC(O)=NN1 | unichem_smiles | 27 |
CCCN(C)Cc1c[nH]nc1-c1c(C)noc1C.CCCN(C)Cc1c[nH]nc1-c1cn[nH]c1.CCCN(C)Cc1c[nH]nc1-c1cnc(OC)nc1.CCCN(C)Cc1c[nH]nc1-c1cnn(C)c1.CN(CCN)Cc1c[nH]nc1-c1ccc2scnc2c1.CN(CCN)Cc1c[nH]nc1-c1cnc2c(c1)C=CC2 | unichem_smiles | 161 |
N=c1[nH]c2ccccc2n1C[C@@H](O)CN | unichem_smiles | 24 |
CCCOc1nc(Oc2cccnc2)nc2oc(-c3cc(C)c(OCC(=O)O)c(C)c3)nc12 | unichem_smiles | 42 |
COc1cncc(N=Cc2cccnc2)n1 | unichem_smiles | 17 |
CS(=O)(=O)c1cccnc1N1CCC2(CCCC2)C1 | unichem_smiles | 23 |
CCc1cc(=O)oc2c(C)c(OC(C)C(=O)OC)ccc12 | unichem_smiles | 29 |
[CH2][C@@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(CCc3ccccc3OC)cs2)C[C@@H]1O | unichem_smiles | 50 |
CCc1nc2n(n1)CCCC2N=C(O)c1cc(N=C(C)O)ccc1F | unichem_smiles | 33 |
CCOC(=O)/C=C(\NCc1ccccc1)c1ccc(Br)cc1 | unichem_smiles | 25 |
COc1ccccc1CC(N=C(O)Nc1cn(C)c(=O)cc1C)C(C)C | unichem_smiles | 35 |
Cc1cccc([C@@H](C[N+](=O)[O-])[C@H](N=C(c2ccccc2)c2ccccc2)C(=O)OC(C)(C)C)c1 | unichem_smiles | 56 |
CN1CC2(CCN(C(=O)c3ccco3)CC2)c2nc(N3CCCCC3)ncc2C1=O.O=C(O)C(F)(F)F | unichem_smiles | 53 |
C[C@H](CN1CCOCC1)N=C(O)NC1CCN(c2cccc[nH+]2)CC1 | unichem_smiles | 36 |
Cc1ccc(OCCOc2cccc(N)c2)c(C)c1 | unichem_smiles | 23 |
C[C@H](C(=O)N1CCc2sccc2C1)n1cccn1 | unichem_smiles | 27 |
CC1=C[C@@]2(CC(=O)N1CCC(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 | unichem_smiles | 51 |
COc1ccccc1N=C(O)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O | unichem_smiles | 36 |
COc1ccccc1-c1ncc(CN2CCC(OCc3cccnc3)CC2)cn1 | unichem_smiles | 28 |
CCOc1cc2c(cc1CNCc1c[nH]nc1-c1cccs1)O[C@@H](C)C2 | unichem_smiles | 38 |
Cc1csc(=O)n1CCN1CCOC2(CCC2)C1 | unichem_smiles | 23 |
CNC(Cc1ccc(Br)cc1F)c1ccccc1Cl | unichem_smiles | 20 |
COc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O | unichem_smiles | 45 |
O=[N+]([O-])c1cc(N=C(O)COc2ccc(Br)cc2)ccc1Cl | unichem_smiles | 32 |
CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccc(OC)cc2)C1=O | unichem_smiles | 38 |
CC(O)CC1CCCN1C(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 | unichem_smiles | 38 |
CSCC(O)c1cc2cccc(C)c2o1 | unichem_smiles | 17 |
Cc1[nH]c(-c2ccc(C(C)(C)C)cc2)cc1CCN | unichem_smiles | 28 |
CC1(c2ccc(F)cc2)N=C(O)N(Cc2csc(Cc3ccc(Cl)cc3)n2)C1=O | unichem_smiles | 43 |
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