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imagewidth (px) 75
793
| SMILES
stringlengths 19
556
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|---|---|
NC(=O)C=C<sep> |
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N1CCC1<sep> |
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c12nnc([nH]1)C2<sep> |
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Cc1ccc(C)cc1<sep> |
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OC1CCN(C)CC1<sep> |
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[SH](=O)(=O)N1CCOCC1<sep> |
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Cc1c[nH]cn1<sep> |
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C(=O)Nc1ccncc1<sep> |
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Oc1ccc(OC)cc1<sep> |
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CNC(=O)c1ccccc1<sep> |
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Nc1cccnc1<sep> |
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NCc1ccncc1<sep> |
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Oc1cccc(Cl)c1<sep> |
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c12cccc(c1-c1ccccc1)C=C2<sep> |
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NC(=O)NCC<sep> |
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c1ccc(C(=O)OC)cc1<sep> |
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NC(P(=O)(O)O)P(=O)(O)O<sep> |
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Nc1ccncc1<sep> |
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CNC1CC1c1ccccc1<sep> |
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Cn1nc(OC)oc1=O<sep> |
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CS(C)(=O)=O<sep> |
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C1CCN(C(C)=O)CC1<sep> |
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CC(=O)OC<sep> |
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Oc1ccc(Cl)cc1<sep> |
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Cc1ccc2ccccc2c1-c1ccc2c(Cl)cccc2c1<sep> |
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NCCN<sep> |
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N1CCC(C)CC1<sep> |
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C(=O)OCc1ccccc1<sep> |
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[SH](=O)(=O)N(C)C<sep> |
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C(=O)c1ccc(OC)cc1<sep> |
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CC(=O)NO<sep> |
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OCCF<sep> |
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Nc1ccccc1C(N)=O<sep> |
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CCC(=O)NO<sep> |
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c1nn[nH]n1<sep> |
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ClC1C=CC(C(Br)C)CC1<sep> |
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OCC#C<sep> |
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N1CCC(CO)CC1<sep> |
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C#Cc1cccnc1<sep> |
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C(=O)c1ccc(Cl)cc1<sep> |
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CP(=O)(O)O<sep> |
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NC(=O)C(C)C<sep> |
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NCC1CC1<sep> |
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N1CCC(N(C)C)C1<sep> |
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C1COC(N)=N1<sep> |
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N1CCc2ccccc2C1<sep> |
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FC(c1cc([CH]O)ccc1)(F)F<sep> |
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c1ccc(N2CCOCC2)cc1<sep> |
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NCCCO<sep> |
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C(=O)C(F)(F)F<sep> |
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SC(F)(F)F<sep> |
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CCNC(C)=O<sep> |
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N(C)c1ccccc1<sep> |
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SCc1ccccc1<sep> |
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N1CCC(N2CCCC2)CC1<sep> |
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c1nccc(C(F)(F)F)n1<sep> |
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Cc1cccc(OC)c1<sep> |
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C1(C(F)(F)F)(F)C(F)(F)O1<sep> |
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c12cccc(c1)C=C2<sep> |
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C(=O)NCCCC<sep> |
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OCC(F)(F)F<sep> |
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Nc1ccc(C)cc1<sep> |
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c1cc(OC)cc(OC)c1<sep> |
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CN(C)Cc1ccccc1<sep> |
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Cc1ccc2ccccc2c1<sep> |
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C1CCCO1<sep> |
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C=CC(=O)O<sep> |
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CNCCO<sep> |
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C(=O)c1ccc(C)cc1<sep> |
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COc1c(OC)cc(OC)c(OC)c1/C(c1ccccc1)=C/c1ccccc1<sep> |
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Cc1c(C)n[nH]c1C(=O)O<sep> |
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CCl<sep> |
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NC(=O)CCC<sep> |
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[SH](=O)(=O)c1ccc(Cl)cc1<sep> |
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C(F)F<sep> |
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OCCCN1CCCC1<sep> |
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C1CC1c1ccccc1<sep> |
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c1ccc(C(C)C)cc1<sep> |
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CC1CCCO1<sep> |
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CNC(C)C<sep> |
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O=C1c2c(ccc(-c3ccc4c(c3)OCN(c3ccc(-c5ccccc5)cc3)CO4)c2)C(=O)N1<sep> |
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CC(N)C(=O)O<sep> |
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C1=CCNCC1<sep> |
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c1ccc(C(F)(F)F)nc1<sep> |
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Oc1ccc(O)cc1<sep> |
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Nc1ccc(F)cc1<sep> |
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c1ccc(OC)c(F)c1<sep> |
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C(C)=NNC(N)=S<sep> |
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C(=O)c1ccco1<sep> |
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NCCCC<sep> |
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N=[N+]=N<sep> |
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c1(-c2cncc(C3CNCCO3)c2)cc2c(cc1)Sc1c(cccc1)S2<sep> |
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OCc1ccccn1<sep> |
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c1cc(O)cc(O)c1<sep> |
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N1CCCC(O)C1<sep> |
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NC(=O)C1CC1<sep> |
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Cn1cncn1<sep> |
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Oc1ccc(Cl)cc1O<sep> |
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N(C)Cc1ccccc1<sep> |
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c1cnc(N)cn1<sep> |
Subsets and Splits