haydn-jones/DnD-T5 · Datasets at Hugging Face

SMILES large_stringlengths 1 3.72k
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C[C@]12CC[C@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12)NCCC1=C3C(=O)OC2=CC(NC(=O)NCC3=CC=C(C4(C(F)(F)F)NN4)C=C3)=CC=C12

C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)O)CC2=C(Cl)C=CC=C21

C=CCN1C=C(C2=CN=C3C(OC4=CC=C(C(=O)N5CCN(C(=O)C6CCOCC6)CC5)C(CC)=C4)=NC=CN23)C(C(F)(F)F)=N1

O=S(=O)(C(/C=C\C1=CC=C(Br)C=C1)C1=CC=CC=C1)C(/C=C\C1=CC=C(Br)C=C1)C1=CC=CC=C1

CONC(=O)C1C(C)CC1C1=CC=C(C)C=C1

CCOC(=O)[C@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)[C@H]1CCCOC1

CCCNC[C@@H](NC(=O)C[C@H]1CC(C)(C)CO1)C1CCCC1

CN1CC[C@@H](NC(=O)[C@H]2[C@@H]3CC[C@H]2NC3)C1(C)C

CC(=O)N[C@H](C)C(=O)N1CC[C@H](C2=NC=CN2)C1

COC[C@]1(O)CCCN(C[C@@H]2CCS(=O)(=O)C2)CC1

CC.CC.CC1=CC=CC(C)=C1.CC=O.CCCCCC(C)C

CC1=CC(C(=O)N[C@H](CNC(=O)C[C@H](C)C2CC2)C2CC2)=CO1

CC1=CC=C(C)C(C(O)C2CCC(C)(C)CC2)=C1

C[C@H](N[C@H]1CCOC[C@H]1NC(=O)OC(C)(C)C)C1(C)CCC1

CN=C(NCC1=CSC(C(C)(C)C)=N1)N(C)CC1=CC(Br)=CN1C

CCCN[C@@H](CC#CCOC)[C@@]1(O)CN(C(=O)OC(C)(C)C)C2(CCC2)C1

CO[C@@H]1C[C@H]1CNC(=O)N1CC([C@H](F)C(=O)O)C1

NCC1=CC(C(=O)NC2=NN=C(Cl)N=N2)=CO1

C[C@@]1(O)CCCN([C@@H](C(=O)O)C2=CC=CC=C2)C1

CC1=CN=C(C(=O)NCC2(O)CN(C(=O)CC3=NNC=C3)C2)C(C)=C1

CC(C)[C@H](O)CNC(=O)NC1=CC=C(Cl)C=C1F

NCC1CCCCN1C(=O)C1=CC=CC(OC(F)(F)F)=C1

CC1=CC=CC2=C1N(CC1=CC=C(Cl)C=C1Cl)N=C2C(=O)NC1=CC=CN=C1