text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
COc1ccccc1CC(C)CC(O)=NCCc1cccc(F)c1 | unichem_smiles | 24 |
CC(O)=NCCCC(=O)N1CCCN=C(O)c2csc(n2)[C@H](Cc2ccccc2)N=C(O)c2csc(n2)[C@H](CC(C)C)N=C(O)CCC1 | unichem_smiles | 70 |
Cc1cc(C)cc(NC(S)=N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 | unichem_smiles | 36 |
COc1ccc2c(c1)C=C(S(=O)(=O)Nc1nocc1C)CC2 | unichem_smiles | 32 |
CNC(=O)c1ccc(CN(C)C(=O)c2cc(C3CCCCC3)[nH]n2)cc1 | unichem_smiles | 37 |
CC(C)(C)OC(=O)N1CCCC(NCc2ccc(O)c(Br)c2)C1 | unichem_smiles | 31 |
CC1CCC(C)N1C(=S)[S-] | unichem_smiles | 16 |
O=C(Nc1nc(C2CC2)cs1)c1n[nH]c2ccc(Br)cc12 | unichem_smiles | 32 |
O=C(Cl)C1(F)CCCC1F | unichem_smiles | 14 |
CC(OCCCNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccccc1 | unichem_smiles | 35 |
Cc1ccc(SCCN=C(O)COc2ccc(Br)cc2C=O)cc1 | unichem_smiles | 28 |
CC[C@H](C)Cc1c(C)sc2nc(CC(O)=Nc3c(C)cccc3C)nc(O)c12 | unichem_smiles | 40 |
OC1=NC2(CCc3cc(-c4ccccc4)ccc3C2)C(O)=N1 | unichem_smiles | 28 |
CC1CC(O)=Nc2cccc(-c3ccc(OCc4ccccc4)cc3)c2N1 | unichem_smiles | 29 |
[c]1ccc[siH]c1 | unichem_smiles | 11 |
Nc1ncnc2c1ccn2C1OC(COCc2ccc(Cl)cc2Cl)C(OCc2ccc(Cl)cc2Cl)C1(O)CF | unichem_smiles | 46 |
c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6oc(-c7ccncc7)nc6c5)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6ccc7oc(-c8cccc9ccccc89)nc7c6)cccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cc(-c6ccc7oc(-c8c(-c9ccccc9)ccc9ccccc89)nc7c6)ccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6ccc7oc(-c8ccc... | unichem_smiles | 348 |
CCCN(C(O)=NCC)[C@H](CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 | unichem_smiles | 39 |
FC(F)(F)c1cccc(OCCCCc2cnc[nH]2)c1.O=C(O)C(=O)O | unichem_smiles | 37 |
COC(O)=Nc1cccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c1 | unichem_smiles | 35 |
Cn1cc(C2C=C(Oc3ccc(NC(O)=Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)C=CN2)cn1 | unichem_smiles | 50 |
COc1ccc(CC(O)=Nc2cccc(Cl)c2Oc2cccnc2)c(OC)c1 | unichem_smiles | 31 |
COc1cc(CC2(C(C)Cl)CC2)cc([N+](=O)[O-])c1 | unichem_smiles | 30 |
C=CCN(C)C(O)=NC(C)c1cccc(OC(C)C)c1 | unichem_smiles | 27 |
O=c1ccccn1-c1ccc(C[n+]2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2Cc2ccccc2)cc1 | unichem_smiles | 51 |
NC1=CC(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(c5ccccc5)(c5ccc(-c6ccc(C(=O)c7ccc(Oc8cccc(N)c8)cc7)cc6)cc5)C(F)(F)F)cc4)cc3)cc2)=CCC1 | unichem_smiles | 87 |
CC(C(F)F)C(O)(C#Cc1ccc(Cl)cc1)Cn1cncn1 | unichem_smiles | 31 |
C[C@]1(c2ccc3c(c2)OCCCO3)N=C(O)N(CC(=O)c2ccc3c(c2)N=C(O)CO3)C1=O | unichem_smiles | 56 |
CC1CC(=O)CCC1C(O)=NCCOc1ccc(F)cc1F | unichem_smiles | 25 |
CSCCCNc1ccc(OC(F)(F)F)cc1 | unichem_smiles | 17 |
OCCN(Cc1cccnc1)Cc1cccn1C1CCN(Cc2ccccc2)CC1 | unichem_smiles | 31 |
CCOC(=O)CCN(CC(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1)c1cccc(C(=N)N)c1 | unichem_smiles | 49 |
CCOC(=O)c1c(N)[nH]c(C)c1-c1ccccc1 | unichem_smiles | 27 |
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(O)=NNC(O)=NC(C)C | unichem_smiles | 36 |
Cc1ncc(CN=C(O)C2CC23CCNCC3)s1.Cl.Cl | unichem_smiles | 27 |
CCC(C)(O)C(O)=NC1CCCCN1c1nc(-c2ccccc2O)nc2cc(C)ccc12 | unichem_smiles | 34 |
CC(C)CCCCN(C)c1ccc(Br)cc1 | unichem_smiles | 17 |
C=CC(=O)CC.CCC(=O)CCC=O | unichem_smiles | 17 |
Oc1c[nH]c(S)c1 | unichem_smiles | 14 |
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC(C)C)c(=O)n2[C@H]1c1cccs1 | unichem_smiles | 56 |
CC(C)N=C(O)CCNC(O)=NCCc1ccc2ccccc2c1 | unichem_smiles | 26 |
CC1CCN(C(=O)C(C)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 | unichem_smiles | 38 |
COC(=O)c1cc(C)ccc1OCC(O)=N[C@H]1CC[C@@H](C)CC1 | unichem_smiles | 36 |
CCOc1cc([C@@H]2NC(O)=NC(CN3CCN(c4ccccn4)CC3)=C2C(=O)OC)ccc1O | unichem_smiles | 43 |
CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(=NCC2CC2)[nH]c1 | unichem_smiles | 44 |
CC[NH+](C[C@@H]1CCCO1)C(=O)[C@@H]1CCCN1Cc1ccccc1 | unichem_smiles | 35 |
Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)C(C)N1CCC(C(O)=NC(C)C(O)=Nc2ccc(F)cc2F)CC1 | unichem_smiles | 59 |
CCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1 | unichem_smiles | 46 |
CNC(c1cc(Br)ccc1OC)C1(CO)CC1 | unichem_smiles | 20 |
ClCC1CCCOC1c1cc(Br)c2c(c1)OCCCO2 | unichem_smiles | 23 |
COC1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1 | unichem_smiles | 31 |
C[C@@H]1[C@@H](C)CCC[C@H]1N=C(O)[C@H]1N(CCCN2CCN(Cc3ccccc3)CC2)C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@]21O3 | unichem_smiles | 95 |
Cc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cnc(N(C)N(C)C)c(C#N)c3c2=O)c2scc(C(=O)O)c2n1 | unichem_smiles | 65 |
Cc1ccccc1CC1(O)CC2CN(CC(=O)c3ccc(O)cc3)CC2C1 | unichem_smiles | 33 |
CC(=O)Oc1cccc(C(O)=NCCN=C(O)CN2CCN(CC(O)=NCCCOCCOCCOCCCNC(=O)c3cc4cc5c6c(c4oc3=O)CCCN6CCC5)CCN(CC(O)=NCCCC(=O)c3cccc(OC(C)=O)c3OC(C)=O)CCN(CC(O)=NCCN=C(O)c3cccc(OC(C)=O)c3OC(C)=O)CC2)c1C.O=C(CCCN=C(O)CN1CCN(CC(O)=NCCCOCCOCCOCCCNC(=O)c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)CCN(CC(O)=NCCN=C(O)c2cccc(O)c2O)CCN(CC(O)=NCCN=C(O)c2cccc... | unichem_smiles | 256 |
COCC(O)=Nc1cccc(N=C(O)C(CC(C)C)N=C(O)c2ccc(Cl)cc2Cl)c1 | unichem_smiles | 42 |
CCN(CC)/N=N\c1ccc2c[nH]nc2c1 | unichem_smiles | 22 |
Cl.O=C(C1=C(c2ccccc2)NC=C(C(O)=NO)C1c1ccc([N+](=O)[O-])cc1)N(O)CCCN1CCC(c2ccccc2)(c2ccccc2)CC1 | unichem_smiles | 68 |
CC(=O)c1c[nH]c2ccc(N=C(O)[C@H](Cc3ccc(Cl)cc3)NC(=O)c3ccc(-c4ccccc4)cc3)cc2c1=O | unichem_smiles | 60 |
COC(=O)[C@H](C)Oc1cc(C)[nH+]c2c(C)cccc12 | unichem_smiles | 31 |
CC.CC.CC(=O)/C(=C(\Nc1ccc2c(n1)CCN2C(=O)CN1CCN(C)CC1)c1ccccc1)c1ccc(C=O)cc1C.CO | unichem_smiles | 61 |
OC(=Nc1ccc(Cl)nc1)C1CCN(c2nc3c(F)cccc3s2)CC1 | unichem_smiles | 33 |
C[Si](C)(C)CCO[SH](=O)=O | unichem_smiles | 17 |
C#CCCCCC(O)=NCC1CCCCC1O | unichem_smiles | 14 |
COc1ccc(Cl)cc1N=C(O)N1CCCN1C(=O)c1ccc(S(C)(=O)=O)s1 | unichem_smiles | 40 |
C[C@@H]1CC(=O)[C@@H](CS(=O)(=O)c2ccccc2)O1 | unichem_smiles | 32 |
COc1cncc(OC2CCN(C(O)=Nc3ccc(Cl)c(Cl)c3)C2)n1 | unichem_smiles | 34 |
O=S(=O)(c1ccc(N2CCCC2)c(N=C(O)CNCc2ccco2)c1)N1CCOCC1 | unichem_smiles | 41 |
CCN(CCCC(O)=NC(CCS(=O)(=O)[O-])C(=O)O)c1cc(OC)c(-c2c3ccc(N(C)C)cc3[o+]c3cc(N(C)C)ccc23)cc1N(C)C | unichem_smiles | 74 |
C[C@H]1COC[C@H]1OC(=O)CN | unichem_smiles | 21 |
CC1CCCC(N=c2[nH]c(Cl)ncc2N)CC1 | unichem_smiles | 23 |
Cc1ncsc1C(C)Nc1ccc2ncsc2c1 | unichem_smiles | 20 |
Cc1c(-c2ccc(C(=O)O)s2)noc1C(F)(F)F | unichem_smiles | 29 |
O=C1N=C(O)C2CCCCC2N1CCC(O)=Nc1ccc(Oc2ccc(Cl)cc2)nc1 | unichem_smiles | 38 |
C=CC(C(=O)O)C1CCS(=O)(=O)CC1 | unichem_smiles | 24 |
Cc1cc(N2CCN([C@H](C)C(O)=Nc3cccc(F)c3)CC2)nc(C(C)C)n1 | unichem_smiles | 43 |
CCCc1nc(N2CCCN(C(=O)CC(C)(C)C)CC2)c2cnn(-c3ccccc3)c2n1 | unichem_smiles | 41 |
COC(=O)CSc1nnc(C2CCCC2)o1 | unichem_smiles | 19 |
N=C(O)c1ccc(CBr)c(Cl)c1C1CCC1 | unichem_smiles | 23 |
CCC(C)(C)CCCCCCC(C)C(C)CCCC(C)C | unichem_smiles | 20 |
COC(=O)c1ccc(NCc2nnc(-c3ccc(Br)o3)o2)cc1C | unichem_smiles | 31 |
C[C@H](c1ccccc1Cl)N1CCN(C(=O)COC[C@H]2CCCO2)CC1 | unichem_smiles | 37 |
N#CCCCN1CCOc2c(C(=O)O)cccc21 | unichem_smiles | 20 |
N#C[C@@H]1C(=O)c2scc(-c3ccccc3)c2N=C1O | unichem_smiles | 32 |
O=C(O)[C@H](CN=C(O)NC1CCC2(CC1)C1CC3CC(C1)CC2C3)N=C(O)c1c(Cl)cccc1Cl | unichem_smiles | 53 |
CCOC(=O)CCN(C)CC(O)=NC(O)=NCCOC | unichem_smiles | 22 |
COC(O)=N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](N=C(O)OC)C(C)C)[nH]4)c4scnc34)c3scnc23)[nH]1)C(C)C | unichem_smiles | 101 |
Cc1[nH]c(SCC(=O)Nc2ccc(I)cc2)[nH+]c1C | unichem_smiles | 32 |
Cc1ccn2c([C@H](CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c3cccc(F)c3)cnc2c1 | unichem_smiles | 54 |
CC(=Cc1ccccc1)C=C1N=C(O)N(CC(=O)N2CCCCCC2)C1=O | unichem_smiles | 37 |
Cc1ccccc1[C@H](N=C(O)c1cccc(N2CCCC2=O)c1)c1ccccc1 | unichem_smiles | 36 |
O=c1oc2ccccc2cc1C(O)=[NH+]CC1CCN(Cc2ccccc2)CC1 | unichem_smiles | 33 |
Cc1cc(C)n(-c2ccc(C(=O)OCCc3c(C)nn(C)c3C)cc2)n1 | unichem_smiles | 39 |
O=C1CCC[C@]1(CCN1CCOCC1)C1=CCCC1 | unichem_smiles | 24 |
Clc1nc(Cl)c2ccnc-2[nH]1 | unichem_smiles | 18 |
COc1cc(CN=[N+]=[N-])cc2c1N(C)CCC2C | unichem_smiles | 25 |
CCNCC(C)(O)COc1cccc2ncccc12 | unichem_smiles | 16 |
CN(C(=O)CCCN=C(O)c1cccnc1)c1c(Cl)cccc1Cl | unichem_smiles | 29 |
CC#CC#CC#C/C=C\CC[C@H](CCO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O | unichem_smiles | 54 |
CCOc1cc(OC)ccc1S(=O)(=O)N1C(=O)C(N=[N+]=[N-])(c2cccnc2OCC)c2cc(C#N)ccc21 | unichem_smiles | 55 |
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