text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
CCc1cc(CC)cc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc6cc7c(cc6cc45)oc4cc(N(c5ccccc5)c5ccc6c8ccccc8n(-c8cc(CC)cc(CC)c8)c6c5)ccc47)cc32)c1 | unichem_smiles | 99 |
CCc1nc2cc(Cl)ccn2c1C(=O)Nc1ccc(CC(=O)[O-])cc1 | unichem_smiles | 34 |
CN(Cc1cccnc1)Cc1c(N)cccc1Br | unichem_smiles | 19 |
OC(=NCc1cccc(Cl)c1F)C1=CN2C=C3C=CC=CN3C=C2C=C1 | unichem_smiles | 37 |
CC(N)C(c1ccncc1)N(C)Cc1cccc(C#N)c1 | unichem_smiles | 28 |
C=C(CNc1cc(-c2ccc(C(C)(F)F)cc2)c2ncsc2c1C#N)C(=O)O | unichem_smiles | 41 |
COCCN1CCN(Cc2cc(O)nc(N3CCN(C(=O)C4CCC4)CC3)n2)CC1 | unichem_smiles | 39 |
OC(=NCCN=C(O)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1Cl | unichem_smiles | 34 |
CC1C=CC(N(c2cccc3c2=CCCN=3)C2C=CC=C3C=CC=CC32)=CC1 | unichem_smiles | 37 |
CC(C)OCCOCc1cccc(N=C(O)NC2CC23CCCCC3)c1 | unichem_smiles | 27 |
C1=Cc2c3c(cc4cccc(c24)C1)C=CC31c2ccccc2-c2ccccc2-c2ccccc21 | unichem_smiles | 41 |
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(O)=Nc1sc(C)c(C)c1C#N | unichem_smiles | 44 |
CCC1=C(C)C2=NC1=CC1=C(C)C3=C(O)CC(=C4NC(=CC5=NC(=C2)C(CO)=C5C)[C@@H](C)C4CCC(=O)OCCOCCOCCOCCOC(C)=O)C3=N1 | unichem_smiles | 84 |
CN=C(O)C1CCCN(C(O)=NCCc2nc(C(F)(F)F)cs2)C1 | unichem_smiles | 34 |
CC1Cc2cc(-c3cc(C(=O)[N-]c4ccc(S(=O)(=O)Nc5nccs5)cc4)no3)ccc2O1 | unichem_smiles | 49 |
C.C.CCCC[C@@H](C(C)C)[C@@H](CF)CC(C)=O.CCCC[C@@H](C(C)C)[C@H](CF)CC(C)=O.CCCC[C@H](C(O)=NCCO)C(C)C.CCCC[C@H](CCC(C)=O)C(C)C.CCC[C@@H](C(=O)CC)C(C)C.CCC[C@@H](C(O)=NCC(C)(C)O)C(C)C.CCC[C@@H](C(O)=NCCN)C(C)C.CCC[C@@H](C(O)=NCCO)C(C)C.CCC[C@@H](C(O)=NCc1ccccn1)C(C)C | unichem_smiles | 196 |
CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(C)cc3)nc2c1 | unichem_smiles | 35 |
CC[C@H](C(O)=NCC(C)C)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 | unichem_smiles | 44 |
CCCOc1ccc(NC(=O)CSc2nc(C)cc(O)n2)cc1 | unichem_smiles | 27 |
CCOCCC1CCc2sc3nc(CN(CC)c4ccc(F)cc4)cc(=O)n3c21 | unichem_smiles | 33 |
CCCCCCCCCCCC(=O)N(CCc1ccccc1)C(C)c1nc2cc(Cl)ccc2c(=O)n1-c1ccc(OC)cc1 | unichem_smiles | 46 |
C=CCS(=O)(=O)NC([CH]CCCC)CCCC | unichem_smiles | 18 |
COc1cc(C(F)F)c(C(=O)O)c(Br)n1 | unichem_smiles | 26 |
CC(C)NC(=N)Nc1ccccc1C(C)(C)C | unichem_smiles | 22 |
CCCCC(N=[N+]=[N-])(OC)OC | unichem_smiles | 16 |
CSCCN1CCC(Cn2cccn2)CC1 | unichem_smiles | 15 |
Cc1cc(OCn2ccc(-c3nc(-c4ccc(OCC(=N)O)cc4)no3)n2)ccc1Cl | unichem_smiles | 38 |
CC(O)=Nc1ccc(O)c(CN2CCN(C)CC2)c1 | unichem_smiles | 25 |
O=c1cc(-c2nn[nH]n2)oc2c(N=C(O)/C=C/c3ccc(OCCCCCCCl)cc3)cccc12 | unichem_smiles | 44 |
Cc1ccc(S(=O)(=O)NC2CCOC3(CCS(=O)(=O)C3)C2)cn1 | unichem_smiles | 36 |
CCS(=O)(=O)n1c(N2Nc3[nH]c(C(F)(F)C(F)(F)F)nc3CC2C)cc2ccc(F)cc21 | unichem_smiles | 52 |
COc1ccc(OC(=O)C(C)Oc2cccc(C(C)(C)C)c2)c([N+](=O)[O-])c1 | unichem_smiles | 43 |
COc1cc(OCc2csc(-c3cc(C)on3)n2)c2cc(-c3cn4nc(C)sc4n3)oc2c1 | unichem_smiles | 44 |
C[C@@H](C[NH2+]Cc1ccc(OCC(=[NH2+])O)cc1)CN1CCCCC1 | unichem_smiles | 35 |
CCS(=O)(=O)NCCNC(COC)Cc1ccccc1 | unichem_smiles | 22 |
N[C@@H](CC1CCCCC1)c1ccc2c(c1)CCO2 | unichem_smiles | 24 |
OC(CN1CCCC1CC(O)c1ccco1)=NCCC1=CCCCC1 | unichem_smiles | 23 |
CCN(Cc1ccc(Cl)s1)C(=O)C1(c2cccc(Br)c2)CC1 | unichem_smiles | 32 |
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CCc1ccccc1)C2c1ccc(Cl)cc1Cl | unichem_smiles | 49 |
O=[N+]([O-])c1cccc(Cl)c1OC/C=C/CCl | unichem_smiles | 25 |
C=CCN=C(O)/C(C#N)=C/c1ccc(O)c(Br)c1 | unichem_smiles | 29 |
CCC(C)SCc1nc2c(c(=N)[nH]1)COCC2 | unichem_smiles | 24 |
CC(O)=Nc1cccc(N=C(O)CSc2n[nH]c(=NN=Cc3cccc(Br)c3)n2N)c1 | unichem_smiles | 44 |
CCOc1ccccc1Cn1nc([C@](C)(CC)OCC(=O)O)cc1-c1cc(OC)cc(OC)c1 | unichem_smiles | 42 |
COc1ccc(C(=O)NNC(C)=CC(=O)c2ccccc2)cc1 | unichem_smiles | 28 |
CN(CC1Cc2ccc3ccc4ccc5ccc1c1c5c4c3c2-1)c1ccc(Cl)cc1 | unichem_smiles | 36 |
Cc1ccc(C(=O)C2CCN(Cc3ccccc3-n3cncn3)CC2)c(C)c1 | unichem_smiles | 38 |
NC1(c2cn(CC3CCCCC3)cn2)CC1 | unichem_smiles | 18 |
CCOC(=O)C(C(=O)OCC)C(c1ccccc1)C1CCCC1=CN(C(=O)OC(C)(C)C)c1ccc(OC)cc1 | unichem_smiles | 52 |
O=C(CCCCCCC(O)=NO)Nc1ccc(C(C(O)=Nc2cccc3ccccc23)C(O)=Nc2cccc3ccccc23)cc1 | unichem_smiles | 46 |
Cc1nc(COC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)no1 | unichem_smiles | 35 |
Cc1ncc(-c2ccc(S(C)(=O)=O)cc2)cn1 | unichem_smiles | 24 |
O=C(O)c1[nH]c(S)nc1-c1cccc(Br)c1 | unichem_smiles | 27 |
CC(=O)/C=C/c1ccccc1.[Pd].[Pd] | unichem_smiles | 21 |
CC(N=C(O)OC(C)(C)C)c1nc2c(F)cc(F)cc2n1-c1cc(F)cc(F)c1 | unichem_smiles | 45 |
O=C(O)c1ccc(-n2nnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 | unichem_smiles | 36 |
CCN1CCN(S(=O)(=O)c2ccc(Br)cc2C)CC1 | unichem_smiles | 26 |
CC[C@H](NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(C)C | unichem_smiles | 39 |
Cc1ccc2nc(O)c(C(c3nnnn3CC3CCCO3)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1 | unichem_smiles | 46 |
C.C.CCC(C)(C)C(=O)OC1(C)CCCC1 | unichem_smiles | 22 |
C#CCCC1(CCC#C)OCCO1 | unichem_smiles | 13 |
CC(C)C(C(=O)N(C)C(C)C)S(=O)(=O)C1CCCCC1 | unichem_smiles | 34 |
C=C(NC(C(=O)N1CCCC1C(=O)OC1CC2CCC1(C)C2(C)C)C1CCCCC1)c1ccc(O)c(O)c1 | unichem_smiles | 54 |
COc1ccccc1C(=O)COC(=O)CCNS(=O)(=O)c1ccccc1 | unichem_smiles | 31 |
O=C(c1cnc(NCc2cccnc2)cn1)N1CCCCCC1 | unichem_smiles | 24 |
O=C(c1cc(Br)ccc1F)N1CCCCC1c1nc[nH]n1 | unichem_smiles | 28 |
CCOC(=O)c1ccccc1N=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1 | unichem_smiles | 55 |
CCC(C)CN=C(O)CN1CCC(N)CC1 | unichem_smiles | 18 |
O=[N+]([O-])c1ccc(OCCN2CCOCC3(CCOCC3)C2)cc1 | unichem_smiles | 32 |
CNS(=O)(=O)c1cc(N=C(O)CNC(C)C)ccc1C | unichem_smiles | 29 |
CC(=O)N(C)[C@@H]1CN(c2ccc(-c3cccnc3-c3noc(C(Cl)(Cl)Cl)n3)c(F)c2)C(=O)O1 | unichem_smiles | 56 |
C[C@@]12CCC(=O)[C@@]1(C)CC[C@]1(N)c3ccc(-n4c5ccccc5c5ccccc54)cc3CC[C@@H]21 | unichem_smiles | 53 |
CC(=O)CC(c1ccccc1[N+](=O)[O-])n1nnc2ccccc21 | unichem_smiles | 30 |
COc1ccc(Oc2cc(Br)ccc2NC[C@@H]2C[C@@H](F)CN2C(=O)O)cc1 | unichem_smiles | 40 |
COc1ccc(C(CNC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)N2CCCC2)cc1 | unichem_smiles | 41 |
CCCCCCC(=O)C1CC(=O)N(C)C1 | unichem_smiles | 19 |
CCc1noc(C)c1C(=O)N(CCO)C(C)C | unichem_smiles | 25 |
C=NC(N)(c1ccc(CN=C(O)[C@@H](COC)N=C(C)O)cc1)C(F)(F)F | unichem_smiles | 41 |
CCC[C@H](C(=O)O)[C@@H](CCCc1ccc(-c2ccccc2C)cc1)C(O)=N[C@H](C(O)=N[C@H](C)c1ccccc1)C(C)(C)C | unichem_smiles | 67 |
O=C1N=NN=C1c1ccccc1N1CCNCC1 | unichem_smiles | 21 |
CCOC1(OCC)C2CC3CC1CC3C2 | unichem_smiles | 17 |
NC(C(O)=NCc1cccc(C(F)(F)F)c1)c1cccs1 | unichem_smiles | 27 |
CCOc1ccc(NC2CCC(C)(C)CC2)cn1 | unichem_smiles | 19 |
C[C@@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)N(C)Cc1cccc(F)c1 | unichem_smiles | 46 |
COc1ccccc1/C=C1\SC(=O)N(CC(O)=NCC(=O)O)C1=O | unichem_smiles | 35 |
CCOC(=O)CNC(O)=NCc1ccccc1-c1ccc([C@@H]2O[C@H](CN3CCC4(CC3)OCCO4)[C@H](C)[C@H](c3ccc(CO)cc3)O2)cc1 | unichem_smiles | 70 |
COC(=O)C(O)C1CCN(C(O)=NC(C)C(C)C2CCCCC2)CC1 | unichem_smiles | 35 |
CC(NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(C(F)(F)F)cc1 | unichem_smiles | 38 |
CC(=O)N1CCC[C@@H]2[C@@H](C[C@H]3CC[C@H]4C(=N3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4CN5C)C[C@H](C)C[C@@H]21 | unichem_smiles | 93 |
CN=C(O)C(C)(C)N(C=O)c1cc(C)c(CCS(=O)(=O)N2CCC(N)(C(=N)O)CC2)c(C)c1 | unichem_smiles | 57 |
N#CCC1(n2cc(C(=N)O)c(=NC(=O)C3CC3)[nH]2)CCN(Cc2ccc(N3CCCCC3)cc2)CC1 | unichem_smiles | 53 |
COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 | unichem_smiles | 32 |
Oc1ncc2cnc(=NCC(F)(F)F)[nH]c2c1-c1ccc(OC(F)F)cc1 | unichem_smiles | 39 |
Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)n21 | unichem_smiles | 51 |
CCc1ccccc1N=C(O)CN=C(O)Cn1cnc(-c2ccccc2)n1 | unichem_smiles | 32 |
CN(C)C(=O)[C@@]1(Cc2ccc(Br)cc2)COC(c2ccc(OCCCO)cc2)=N1 | unichem_smiles | 40 |
CCCCOc1ccc(C(O)=C2C(=O)C(=O)N(CCN(CC)CC)C2c2ccc(OCc3ccccc3)cc2)cc1C | unichem_smiles | 50 |
CCN(CC)CCCC(C)[NH2+]C(=O)c1cc2c(=O)n3cccc(C)c3[nH+]c2n1C | unichem_smiles | 45 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(OC(O)=NCCCC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C | unichem_smiles | 74 |
Cc1c(C#N)cccc1-c1nc(/C(=C/NCc2ccn(C(C)(C)CO)n2)N=N)c(F)c(=N)[nH]1 | unichem_smiles | 55 |
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