SMILES
stringlengths 5
260
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Cc1nc(c(c(n1)NCCO)N(=O)=O)NCCO
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c1cc(cc(c1)N(=O)=O)C(NC(=O)N)NC(=O)N
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c1cc(ccc1NC(=O)C[NH+](CCO)CCO)N(=O)=O
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CCOC(=O)[C@@H](C)NC(=O)c1c([nH]cn1)N(=O)=O
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CCOC(=O)[C@H](C)NC(=O)c1c([nH]cn1)N(=O)=O
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c1cc(ccc1n2ncc(n2)N(=O)=O)S(=O)(=O)N
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CS(=O)(=O)N[C@@H](CO)[C@@H](c1ccc(cc1)N(=O)=O)O
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CS(=O)(=O)N[C@@H](CO)[C@H](c1ccc(cc1)N(=O)=O)O
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CS(=O)(=O)N[C@H](CO)[C@@H](c1ccc(cc1)N(=O)=O)O
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CS(=O)(=O)N[C@H](CO)[C@H](c1ccc(cc1)N(=O)=O)O
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CNC(=O)NC(=O)COc1cccnc1N(=O)=O
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c1cc(c(cc1S(=O)(=O)NN/C(=[NH2+])/N)N(=O)=O)Cl
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c1cc(c(cc1S(=O)(=O)NN/C(=[NH2+])/N)N(=O)=O)Cl
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CNC(=O)COC(=O)c1cc(ccc1NCCO)N(=O)=O
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CN(CCO)c1ccc(cc1N(=O)=O)S(=O)(=O)N
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c1cc(c(cc1S(=O)(=O)N)N(=O)=O)N2CC[NH2+]CC2
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Cn1c(=O)n(nn1)c2ccc(cc2N(=O)=O)N(=O)=O
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c1c(c(nn1[C@H]2CC(=O)[C@H]3OC[C@@H]2O3)N(=O)=O)N(=O)=O
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c1cn(c(n1)N(=O)=O)C[C@H](CC[NH+]2CCOCC2)O
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Cn1cnc(c1Sc2c[nH]c(=O)[nH]c2=O)N(=O)=O
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c1c(c(nn1[C@@H]2CC(=O)[C@@H]3OC[C@H]2O3)N(=O)=O)N(=O)=O
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c1c(c(nn1[C@H]2CC(=O)[C@@H]3OC[C@H]2O3)N(=O)=O)N(=O)=O
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c1cc(ccc1N(=O)=O)S(=O)(=O)NS(=O)(=O)N
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c1cc(cc(c1)S(=O)(=O)[N-]S(=O)(=O)[O-])N(=O)=O
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C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)Oc2ccc(cc2)N(=O)=O)O)O)O
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Cc1cc(ccc1N[C@@H]2[C@H]([C@@H]([C@H](CO2)O)O)O)N(=O)=O
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c1cc(cc(c1)S(=O)(=O)NN/C(=[NH2+])/N)N(=O)=O
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c1cc(cc(c1)S(=O)(=O)NN/C(=[NH2+])/N)N(=O)=O
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C(CC(CCc1nc([nH]n1)N)N(=O)=O)c2nc([nH]n2)N
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CC(=O)CCn1c(nc(n1)N(=O)=O)c2nc([nH]n2)N
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c12c3c(c4c(c1nsn2)n(=O)on4)n(=O)on3
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c1c2c(cc(c1N3CCOCC3)N(=O)=O)[nH]c(=O)c(=O)[nH]2
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c1cc2c(cc1N(=O)=O)n(=O)n(n2)c3cc(n[nH]3)[O-]
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C[N+]1(CCCC1)CC2CS[C@@H]3C(=N)C(=O)N3C2C(=O)[O-]
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c1cc(oc1C=C2C(=NS(=O)(=O)N=C2N)N)N(=O)=O
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CC/C=c/1\c(=O)[nH]/c(=C/c2ccc(cc2)N(=O)=O)/c(=O)[nH]1
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CC/C=c/1\c(=O)[nH]/c(=C\c2ccc(cc2)N(=O)=O)/c(=O)[nH]1
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C[C@@H]1CN(C[C@@H](O1)C)C(=O)Cn2cnc(n2)N(=O)=O
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c1cc(c(c2=N(=O)C3(CCCCC3)N(=c21)=O)N)N(=O)=O
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Cc1cc(nn1CC(=O)N2CC[NH+](CC2)C)N(=O)=O
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COC(=O)CCC(C[C@@H](C(=O)OC)O)(N(=O)=O)N(=O)=O
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COC(=O)CCC(C[C@H](C(=O)OC)O)(N(=O)=O)N(=O)=O
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CC1(N(=C2C(=O)CCC(C2=N1=O)(N(=O)=O)N(=O)=O)=O)C
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C1COCCN1CC(CN2CCOCC2)N(=O)=O
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CN1C[C@]2(CC=C([C@](C2)(C1)N(=O)=O)OCCO)N(=O)=O
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Cc1cc(nn1Cc2nc(on2)C(=O)N)N(=O)=O
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c1cc(ncc1N(=O)=O)N2CC[NH2+][C@@H](C2)C(=O)[O-]
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c1cc(ncc1N(=O)=O)N2CC[NH2+][C@H](C2)C(=O)[O-]
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C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)/C=C/C(=O)[O-]
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C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)/C=C/C(=O)[O-]
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c1cc(cc(c1)N(=O)=O)C(=O)N[C@H](CO)C(=O)[O-]
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c1cc(cc(c1)N(=O)=O)C(=O)N[C@@H](CO)C(=O)[O-]
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Cn1cc(c(n1)C(=O)NCCC[NH+]2CCOCC2)N(=O)=O
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Cn1c(c(cn1)N(=O)=O)C(=O)NCCC[NH+]2CCOCC2
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c1ccc(c(c1)N(=O)=O)S(=O)(=O)N2CCNC(=O)C2
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CN(C)c1nc(nc(n1)N)Cn2cc(ccc2=O)N(=O)=O
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c1cc(oc1C(=O)OCC(=O)N2CCNC2=O)N(=O)=O
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CCC(=O)N1CC2(CN(C1)CN(C2)C(=O)CC)N(=O)=O
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CC(C)C(=O)NCCNC(=O)Cn1cc(cn1)N(=O)=O
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c1cc(=O)n(cc1N(=O)=O)Cc2nc(nc(n2)N)N
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CC(CN1CCOCC1)(CN2CCOCC2)N(=O)=O
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c1cn(c(n1)N(=O)=O)C[C@@H](CC[NH+]2CCOCC2)O
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C1COCCN1CC(CN2CCOCC2)(N(=O)=O)Cl
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c1c(c(nn1[C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)N(=O)=O)N(=O)=O
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C[C@@H](CNS(=O)(=O)c1ccc(c(c1)N(=O)=O)[O-])O
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C[C@H](CNS(=O)(=O)c1ccc(c(c1)N(=O)=O)[O-])O
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CN(CCO)S(=O)(=O)c1ccc(c(c1)N(=O)=O)[O-]
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c1cc(ccc1COC(=O)[C@H](CC(=O)N)[NH3+])N(=O)=O
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C[N+]1(CCCC1)CC2CS[C@H]3C(=N)C(=O)N3C2C(=O)[O-]
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Cc1nc(nn1c2nc(nn2C)N(=O)=O)N(=O)=O
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Cn1c(=O)c(nn(c1=O)C)Cc2ccccc2N(=O)=O
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Cn1c(=O)[nH]c(=O)c(n1)Cc2ccccc2N(=O)=O
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C[NH+](C)CCn1ccc2c(c1=O)cc3c(n2)ccn(c3=O)N
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c1cc(ccc1CS(=O)(=O)N2CCNC(=O)C2)N(=O)=O
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c1cnc(nc1)NCCNC(=O)Cn2ccc(n2)N(=O)=O
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COC(=O)N1CCN(CC1)c2ncc(c(n2)N)N(=O)=O
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c1cc(ncc1N(=O)=O)N2CCC[NH+](CC2)CC(=O)N
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c1cc(c(nc1)N2CCC[NH+](CC2)CC(=O)N)N(=O)=O
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Cn1c(nc(n1)N(=O)=O)N(CCC(=O)[O-])N(=O)=O
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c1ccc(c(c1)CS(=O)(=O)N2CCNC(=O)C2)N(=O)=O
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c1cc(ccc1COC(=O)[C@@H](CC(=O)N)[NH3+])N(=O)=O
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C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2)N(=O)=O)O)O)O
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c1ccc(c(c1)N(=O)=O)O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O
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c1nc(c(c(n1)N2CCS(=O)(=O)C2)N(=O)=O)N
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C[C@@H](C(=O)[O-])C(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C
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C[C@H](C(=O)[O-])C(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C
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C[C@@H](C(=O)[O-])C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
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C[C@H](C(=O)[O-])C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
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c1ccc(cc1)C(=O)N2CN3C[C@@]2(CNC3)N(=O)=O
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c1ccc(cc1)C(=O)N2CN3C[C@]2(CNC3)N(=O)=O
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C(=C\c1[nH]nc(n1)N(=O)=O)\c2[nH]nc(n2)N(=O)=O
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c1cc(c(cc1N(=O)=O)N(=O)=O)[n+]2nc(on2)O
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Cc1cc(n(n1)CCn2cc(c(=O)[nH]c2=O)N(=O)=O)C
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C[C@@H](Cn1c(nc(n1)N(=O)=O)N(=O)=O)ON(=O)=O
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C[C@H](Cn1c(nc(n1)N(=O)=O)N(=O)=O)ON(=O)=O
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c1c(nc(s1)N)C[N+]23CC45CN(CN(C4)C2)CN(C5)C3
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c1c(c(nn1[C@@H]2CC(=O)[C@@H]3OC[C@@H]2O3)N(=O)=O)N(=O)=O
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c1c(c(nn1[C@H]2CC(=O)[C@@H]3OC[C@@H]2O3)N(=O)=O)N(=O)=O
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CC/C=c/1\c(=O)[nH]/c(=C\c2ccccc2N(=O)=O)/c(=O)[nH]1
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c1c(cn(n1)N(=O)=O)c2c(cn(n2)N(=O)=O)N(=O)=O
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