SMILES
stringlengths 5
260
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c1c(cc(cc1NC(=S)N[NH3+])F)C(F)(F)F
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c1ccc(c(c1)Cn2c3c(cc(cn3)F)c(n2)C(=[NH2+])N)F
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c1ccc(c(c1)Cn2c3c(cc(cn3)F)c(n2)C(=[NH2+])N)F
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Cc1c(c(nnc1Cc2ccccc2)N3CC[NH2+][C@@H](C3)C)C
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C[NH+](C)Cc1c[nH]c2c1c(ccn2)Br
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COc1cccc(c1)NC2(CCSCC2)C(=O)[O-]
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CC(C)(C)OC(=O)N1CCC(CC1)(c2nccs2)O
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CCOC(=O)C1CCN(CC1)c2ccc(cn2)F
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Cc1cccc(c1NS(=O)(=O)C)C2=N[C@@H](CO2)C(C)C
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COc1ccc(c(c1)OC)CNc2nncs2
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c1cc2ncc(c(=O)n2cc1Br)Cl
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COC(=O)[C@@H]1CC[NH2+]C[C@H]1c2ccc(cc2)Cl
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CC[C@@H](C)[C@H](CO)NC(=O)OCc1ccccc1
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CC[C@H](C)[C@H](CO)NC(=O)OCc1ccccc1
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c1cc(cc(c1)Cl)C(=O)N[C@@H]2CCC[NH2+]CC2
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c1cc(cc(c1)Cl)C(=O)N[C@H]2CCC[NH2+]CC2
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COC(=O)c1c(c(=O)cco1)OCc2ccccc2
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COc1cc(c(nc1OC)I)Cl
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CC1CN(S(=O)C=C1C)c2nc(sn2)SC
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CC1CN(S(=O)C=C1C)c2nc(sn2)SC
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COc1cc(cc(c1OC)OC)c2csc(n2)NN
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COc1ccc(c(c1)c2csc(n2)NN)OC
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Cc1cc(cc(c1[C@H]([C@@H](C(=O)[O-])[NH3+])C(C)C)C)O
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c1ccc(cc1)c2c(n3ccccc3n2)CN4CC[NH2+]CC4
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Cc1ccc2nc(c(n2c1)c3csc(n3)NN)C
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Cc1ccc(o1)C(=O)c2cc3c(cc2N)OCCO3
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Cc1ccc(o1)C(=O)c2cc(c(cc2N)OC)OC
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CCOC(=O)[C@@H](c1ccc(cc1)N)N2CCCCCC2=O
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CCOC(=O)[C@H](c1ccc(cc1)N)N2CCCCCC2=O
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COc1cccc(c1)C(=O)c2ccc(cc2)N3CC[NH2+]CC3
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Cc1c(c(no1)c2ccccc2)C(=O)CC(=O)OC
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CCOC(=O)[C@@H](c1ccc(cc1)O)N2CCCCCC2=O
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CCOC(=O)[C@H](c1ccc(cc1)O)N2CCCCCC2=O
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CCOC(=O)[C@@H](c1ccc(cc1)O)N2CCCCC2=O
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CCOC(=O)[C@H](c1ccc(cc1)O)N2CCCCC2=O
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CC(=O)Nc1cc2c(cc1C(=O)c3ccco3)OCCO2
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CC(=O)Nc1cc(c(cc1C(=O)c2ccco2)OC)OC
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CCOC(=O)c1c(nc(s1)N[C@@H]2CCCO2)C
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CCOC(=O)c1c(nc(s1)N[C@H]2CCCO2)C
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c1c(cc(c2c1c(ncn2)NCC(=O)[O-])Cl)Cl
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c1cc2c(cc1Cl)ncnc2NCCC(=O)[O-]
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C[C@@H](C(=O)[O-])Nc1c2ccc(cc2ncn1)Cl
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C[C@H](C(=O)[O-])Nc1c2ccc(cc2ncn1)Cl
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CCn1c(=O)c2ccc(cc2nc1SCC(=O)[O-])Cl
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c1ccc2c(c1)C(=O)N(CO2)CCCCCC(=O)[O-]
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Cn1c2c(c(cc(n2)C3CC3)C(=O)[O-])c(n1)C4CC4
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Cc1nc2ccccc2c(=O)n1Nc3cccc(c3)C(=O)[O-]
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Cn1c(n[nH]c1=S)CNc2ccc(cc2)OC
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Cc1cc(cc(c1[C@@H]([C@H](C(=O)[O-])[NH3+])C(C)C)C)O
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Cc1cc(c2c(c1)N(C(=NS2(=O)=O)SC)C)C
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CN1c2cc(cc(c2S(=O)(=O)N=C1OC)Cl)Cl
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COC(=O)C=C(Cc1cccc(c1)Br)O
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c1ccc(cc1)CN2c3ccccc3S(=O)(=O)NC2=O
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CC(=O)c1nn(/c(=N/C#N)/s1)c2cccc(c2)Cl
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CC(C)(C)OC(=O)c1[nH]c(=O)n(n1)c2cccc(c2)Cl
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c1cc(c(cc1Br)C(=O)N2CCCC2)N
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Cc1cc(cc(c1S(=O)(=O)N)Cl)Br
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Cc1c(ccc(c1Cl)Br)S(=O)(=O)N
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Cc1cc(c(cc1S(=O)(=O)N)Cl)Br
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Cc1cc(cc(c1S(=O)(=O)N)Br)Cl
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c1c(cc(c(c1F)S(=O)[O-])Br)F
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c1c(cc(c(c1F)NC(=S)N)Br)F
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COC(C[NH2+]Cc1ccc(c(c1)Br)F)OC
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c1cc(c(cc1F)C(=O)[O-])NC(=O)C(F)(F)F
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CCOC(=O)[C@@](Cc1ccccc1)(C(F)(F)F)N
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CCOC(=O)[C@](Cc1ccccc1)(C(F)(F)F)N
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c1cc(c(cc1NC(=S)N[NH3+])C(F)(F)F)F
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CCOC(=O)C=C(CCOCc1ccccc1)O
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c1ccc(c(c1)OCCn2cc(cn2)N)Br
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CCOC(=O)[C@@H](c1cccc(c1)Br)O
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CCOC(=O)[C@H](c1cccc(c1)Br)O
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CC(=O)Nc1cc(ccc1C(=O)OC)Br
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c1cc(c(cc1C(F)(F)F)NC(=S)N[NH3+])F
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CCCNC(=O)c1cc(ccc1N)Br
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CC(C)NC(=O)c1cc(ccc1N)Br
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Cc1cc(c(c(c1)Br)NC(=S)N[NH3+])C
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CCc1ccc(c(c1)Br)NC(=S)N[NH3+]
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c1c(cc(c(c1Cl)F)Cl)NC(=S)N[NH3+]
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CCOC(=O)Cc1cccc(n1)C(=O)OC(C)(C)C
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Cc1cc(c2c(c1)[C@H](CCCN2)Nc3nnn(n3)C)C
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C[C@H](c1ccccc1I)C(=O)[O-]
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C[C@@H](c1ccccc1I)C(=O)[O-]
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Cc1cc(c(cc1C(=O)[O-])I)O
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CCOC(=O)/C=C/CNC(=O)OCc1ccccc1
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c1cc(c(cc1N(=O)=O)/C=C/C(=O)[O-])Br
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CCOC(=O)c1c(n(cn1)C(C)C)Br
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CCOC(=O)C(C)(C)[NH2+]Cc1ccc(cc1)OC
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C[C@H]1CN([C@]12CC[NH2+]C2)C(=O)OCc3ccccc3
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CC(C)(C)OC(=O)[C@@]12C[NH2+]C[C@@H]1CN(C2)c3ccccc3
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Cc1cnc(cn1)NC(=O)c2c(ccc(n2)Cl)F
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CC(C)(C)OCN1C[C@@H]([C@@H](C1)[NH3+])c2ccc(cc2)F
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CC(C)(C)OCN1C[C@H]([C@H](C1)[NH3+])c2ccc(cc2)F
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CC(C)(C)OCN1C[C@@H]([C@H](C1)[NH3+])c2ccc(cc2)F
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CC(C)(C)OCN1C[C@H]([C@@H](C1)[NH3+])c2ccc(cc2)F
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CCOc1cc(ccc1OC)/C=C/S(=O)(=O)C
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CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)COC(=O)c3ccccc3)F)C
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c1c(cc(=O)[nH]c1[C@@H]2CCC[NH2+]C2)Br
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c1c(cc(=O)[nH]c1[C@H]2CCC[NH2+]C2)Br
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Cc1cc(c2c(c1)[C@@H](CCCN2)Nc3nnn(n3)C)C
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C[NH+]1CCN(CC1)C2=[NH+]c3ccccc3Sc4n2ccn4
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