jonghyunlee/MolGPT_pretrained-by-ZINC15
Updated
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507
smiles
stringlengths 4
254
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Oc1ccc(N2CCNCC2)cc1 |
Cc1n[nH]c(C)c1CCN |
C[C@H](C(=O)O)[C@H](C)C(=O)O |
CSCCCN |
COC(=O)c1cc(C=O)ccc1O |
CC(C)(N)C(=O)N1CCCCC1 |
N[C@H]1CCCC(=O)C1 |
NC(=O)CCOc1ccccc1N |
Cc1ncc(CO)s1 |
CC(C)n1cncn1 |
COC(=O)c1cc(N)cc2cn[nH]c12 |
C[C@H](c1cnn(C)c1)n1nccc1N |
C[C@@H]1CCS1(=O)=O |
COCCOc1cnc(N)cn1 |
CNc1cnc(C)cn1 |
N=C(N)c1scc2c1OCCO2 |
C[C@@H]1COC[C@@H](C)N1CCCN |
N[C@](CO)(C1CC1)C(F)(F)F |
COC[C@H](N)[C@]1(O)CCS[C@H]1C |
CCN(CC)C(N)=O |
CCc1nsc(N)n1 |
NC(=S)Nc1cnccn1 |
Cc1nn(C)cc1/C=C/C(=O)O |
CC(C)NC(=O)C1CCNCC1 |
O[C@@H]1CCCCC[C@H]1O |
CC1=N[C@@H](C(=O)O)CC1 |
O=C1NC(=O)N2CCCC[C@H]12 |
Cc1nc[nH]c(=O)c1F |
CC(C)NCCC(=O)O |
CC[C@@H](CN)C(=O)O |
Cc1nc2nc(C)c(C(=O)O)cn2n1 |
CC(C)c1nc(CCN)no1 |
COc1nc(C)cc(N)n1 |
COC(=O)[C@@H]1CCCN[C@H]1C |
CC[C@](C)(N)c1nc(C)no1 |
CCN[C@@H](C)C(=O)OC |
CC(C)[C@H](C(=O)O)[C@@H](C)N |
CCOC(=O)[C@H]1C[C@@H](O)CCO1 |
C[C@@H](N)c1cnccc1O |
O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)O)[C@@H]4[C@@H]3[C@@H]12 |
C1COC[C@H](C2CC2)CN1 |
O=C(O)c1cnnn1C1CC1 |
CCn1ccc(C(=O)OC)cc1=O |
O=C(N[C@@H]1C=CCCC1)c1cnn[nH]1 |
CO[C@H]1C[C@H](N2CCC(=O)NC2=O)C1 |
COc1c(N)ccn2nccc12 |
NC[C@H]1C[C@@H](n2ccnn2)C1 |
C[C@@H]1N[C@H](C(=O)O)CS1 |
NCc1noc(-c2ccco2)n1 |
CN(C)CCN(C)CCN(C)C |
Cc1[nH]cnc1CN1CCN(C)CC1 |
Nc1cccc2[nH]c(=O)[nH]c12 |
CCc1ccc[nH]c1=O |
O=C(O)CCN1C[C@H]2CC[C@H]1C2 |
NC(=O)[C@]12CCC[C@@]1(C(=O)O)C2 |
CC1(C)Cc2ccc(N)cc2B(O)O1 |
O=C1N[C@@H](C2CC2)[C@]12CCCO2 |
Cn1cc([C@H]2NC(=O)C23CCC3)cn1 |
CN1C[C@H]2C[C@H](N)CC[C@H]2C1 |
C[C@@H]1CCNCC[C@]1(C)O |
C=CC(=O)N[C@@H]1CCC[C@]1(C)O |
COc1ccccc1OC[C@H](O)CO |
OCc1ccc2c(c1)OCO2 |
NC(=O)c1ccc(F)cc1 |
CC(C)[C@@H](C)N |
COC(OC)c1ccnc(N)n1 |
COc1ncnc(N)c1OC |
N[C@H](CC1CC1)C(=O)O |
COc1ccc[nH]c1=O |
CNNCc1ccccc1 |
C[C@H]1CN(C)[C@H](C)CN1 |
COCCn1cc(C=O)cn1 |
Cc1[nH]cnc1CN |
CC[C@@H](C)[C@@H](N)C(=O)OC |
CN1C[C@]2(CCCNC2)CCC1=O |
OC[C@]1(C(F)(F)F)CCNC1 |
O[C@H]1CC[C@@H]2C[C@@H]1CC[C@@H]2O |
COC[C@]1(C(=O)O)CCOC1 |
NC(=O)c1cccc(N)c1F |
O=C(O)[C@@H]1CC[C@@H]2CCC[C@H]2N1 |
CCCNC(=O)N[C@H]1CC[C@@H](N)C1 |
C=CC(=O)NCc1cc(C)nc(C)n1 |
Cc1cc(N)n2nc(C)cc2n1 |
C[C@H](CC(=O)O)C(=O)O |
CN(CCO)c1ccc(C=O)cc1 |
CNS(=O)(=O)Nc1ccccc1 |
O[C@H]1CCCO1 |
O[C@@H](c1ccncc1)[C@@H]1CNCCO1 |
Nc1nc(NC2CC2)c2nc[nH]c2n1 |
NCc1ccc(F)cn1 |
O=C(O)[C@@H]1CCNC[C@@H]1F |
Nc1nc2ccc(=O)[nH]c2s1 |
CCOC(=O)C(=O)[C@@H]1CCCC1=O |
Cc1cc(N2CCNCC2)cc(=O)o1 |
COCOC/C(C)=C\CO |
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2[C@H]1O |
COC(=O)[C@@]12[C@H]3[C@@H]4C[C@@H]([C@H]5[C@@H]4[C@@H]51)[C@H]32 |
CN1[C@H]2C[C@H](O)[C@H]1[C@H]1CC[C@H]2C1 |
N[C@H](C1CCC1)[C@@]1(O)CCCOC1 |
CC[C@]1(CO)C[C@H]2CC[C@@H]1N2 |
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729 MB
Number of rows:
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Models trained or fine-tuned on jonghyunlee/ZINC15