SMILES
stringlengths
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260
c1c(nc(s1)NC(=O)C(=O)CC(=O)CO)N(=O)=O
C1[C@@H]2[C@@H]3CO[C@@H]([C@@]1(Nc4n2nc(c4N(=O)=O)N(=O)=O)O)O3
C1[C@@H]2[C@@H]3CO[C@@H]([C@@]1(Nc4n2nc(c4N(=O)=O)N(=O)=O)O)O3
C1[C@H]2[C@@H]3CO[C@@H]([C@@]1(Nc4n2nc(c4N(=O)=O)N(=O)=O)O)O3
C1[C@H]2[C@@H]3CO[C@@H]([C@@]1(Nc4n2nc(c4N(=O)=O)N(=O)=O)O)O3
C1[C@@H]2[C@H]3CO[C@@H]([C@@]1(Nc4n2nc(c4N(=O)=O)N(=O)=O)O)O3
C1[C@@H]2[C@H]3CO[C@@H]([C@@]1(Nc4n2nc(c4N(=O)=O)N(=O)=O)O)O3
CC/C=c\1/c(=O)[nH]/c(=C\c2ccc(cc2)N(=O)=O)/c(=O)[nH]1
CC/C=c\1/c(=O)[nH]/c(=C/c2ccc(cc2)N(=O)=O)/c(=O)[nH]1
CCOC(=O)C(C[C-](N(=O)=O)N(=O)=O)C(=O)OCC
CC[C@@H](COC(=O)/C=C\C(=O)NC(=O)N)N(=O)=O
CC[C@H](COC(=O)/C=C\C(=O)NC(=O)N)N(=O)=O
CCOC(=O)CC1=N[NH2+]C(=C(N(=O)=O)N(=O)=O)N1
c1c(cn(n1)N(=O)=O)c2c(cnn2N(=O)=O)N(=O)=O
Cc1cc2c(cc1C)n(=O)c-3c(=O)[nH]c(=O)nc3n2C
C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)Nc2ccc(cc2)N(=O)=O)O)O)O
CS(=O)(=O)N(CC(=O)N)c1ccc(cc1)N(=O)=O
CN(C)C(=O)c1ccc(cc1S(=O)(=O)N)N(=O)=O
c1cc(cc(c1)N(=O)=O)CS(=O)(=O)N2CCNC(=O)C2
c1cc(c(c(c1)F)S(=O)(=O)NCC[NH3+])N(=O)=O
c1cc(ncc1N(=O)=O)N/C(=[NH2+])/N2CC[NH+](CC2)CCO
c1cc(ncc1N(=O)=O)N/C(=[NH2+])/N2CC[NH+](CC2)CCO
c1cc(c(nc1)N/C(=[NH2+])/N2CC[NH+](CC2)CCO)N(=O)=O
c1cc(c(nc1)N/C(=[NH2+])/N2CC[NH+](CC2)CCO)N(=O)=O
c1(nc(nc2n1c(nn2)N(=O)=O)NC(=O)C(F)(F)F)N
Cc1c(c(n(n1)C)N2CC(=O)N(C2)CCOC)N(=O)=O
C[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)Nc2ccc(cc2)N(=O)=O)O)O)O
C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)Nc2ccc(cc2)N(=O)=O)O)O)O
C[C@H]1[C@H]([C@H]([C@H]([C@H](O1)Nc2ccc(cc2)N(=O)=O)O)O)O
C1[C@H]2[C@H]3CO[C@H]([C@]1(Nc4n2nc(c4N(=O)=O)N(=O)=O)O)O3
C1[C@H]2[C@H]3CO[C@H]([C@]1(Nc4n2nc(c4N(=O)=O)N(=O)=O)O)O3
CN1S(=O)(=O)c2ccc(cc2S1(=O)=O)N(=O)=O
C[N+](C)(C)CCO[P@](=O)([O-])OC[C](CO)O
C[C@@H]([C@@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)OC)C(=O)[O-]
c1ccc(cc1)C[NH+](Cc2ccccc2)C3(COC3)CO
c1cc2c(cc1Cl)cc([nH]2)C(=O)NC[C@@H]3CC[NH2+]C3
CCOC(=O)c1c2cccc(n2cn1)Br
c1cc2c(cc1Br)OC[C@@H](C2)C(=O)[O-]
c1cc2c(cc1Br)OC[C@H](C2)C(=O)[O-]
c1cc(ccc1C2(CCOCC2)CO)Br
CC(C)(C)OC(=O)N(C)[C@@H](CC(C)(C)F)C(=O)[O-]
c1ccc(cc1)COC(=O)N2CCC3(CC2)CC(=O)CO3
c1c(cc(c(c1F)Br)F)NC(=S)N
Cc1cc(cc(c1NC(=S)N[NH3+])Br)F
c1cc(c(cc1F)C(F)(F)F)NC(=S)N[NH3+]
Cc1cc(c(cc1NC(=S)N[NH3+])F)Br
Cc1cc(c(cc1Br)F)NC(=S)N[NH3+]
Cc1cc(cc(c1Br)C)NC(=S)N[NH3+]
COc1ccc(c(c1F)OC)I
CCOC(=O)[C@@H]1Cn2c(ccn2)C[NH+](C1)Cc3ccccc3
CCOC(=O)[C@H]1Cn2c(ccn2)C[NH+](C1)Cc3ccccc3
C[C@]1(CC=C[C@H](C1)NC(=O)OC(C)(C)C)C(=O)[O-]
C[C@@]1(CC=C[C@H](C1)NC(=O)OC(C)(C)C)C(=O)[O-]
C[C@]1(CC=C[C@@H](C1)NC(=O)OC(C)(C)C)C(=O)[O-]
C[C@@]1(CC=C[C@@H](C1)NC(=O)OC(C)(C)C)C(=O)[O-]
CC(C)(C)OC(=O)Nc1ccc2c(ncn2c1)C(=O)[O-]
CCCCn1c2ccccc2c(c(c1=O)C(=O)C)[O-]
CCCCn1c2ccccc2c(c(c1=O)C(=O)C)[O-]
c1ccc2c(c1)CC[NH2+][C@@H]2c3c(c4ccccc4oc3=O)[O-]
c1ccc2c(c1)CC[NH2+][C@@H]2c3c(c4ccccc4oc3=O)[O-]
c1ccc2c(c1)CC[NH2+][C@H]2c3c(c4ccccc4oc3=O)[O-]
c1ccc2c(c1)CC[NH2+][C@H]2c3c(c4ccccc4oc3=O)[O-]
COC(=O)[C@@H]1CC[NH+](Cc2n1ncc2)Cc3ccccc3
COC(=O)[C@H]1CC[NH+](Cc2n1ncc2)Cc3ccccc3
CC(C)(C)OC(=O)N(C)[C@H](CC(C)(C)F)C(=O)[O-]
CN1c2ccc(cc2S(=O)(=O)N=C1Cl)Cl
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)Oc2ccc(cc2)F)O
CC(C)(C)OC(=O)NCCc1cccc(n1)OC
Cn\1c(ns/c1=N/C#N)c2ccc(cc2)Cl
c1cc(sc1)S(=O)(=O)c2nc(ns2)Cl
Cc1cc(c2c(c1)N(C(=NS2(=O)=O)Cl)C)C
c1cc(c(cc1OCC2OCCO2)F)Br
Cc1cc(=O)c2c(cc(cc2o1)OC[C@@H]3CS3)[O-]
Cc1cc(=O)c2c(cc(cc2o1)OC[C@H]3CS3)[O-]
CCOC(=O)c1c(c(=O)cco1)OCc2ccccc2
CCOC(=O)/C(=C/c1cc(ccc1OC)C)/CC(=O)[O-]
C[C@H](c1ccc(cc1)C(=O)n2ccc3c2[nH+]ccc3N)[NH3+]
COc1cc(c(cc1OC)Br)CCO
CC(C)(C)OC(=O)Nc1cnc(cc1C=O)OC
CCOC(=O)c1c2c(on1)CCN(C2)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)N1CCC(CC1)(CO)c2cccnc2
c1c(c(cc(c1N)Cl)Br)C(=O)[O-]
CCOC(=O)c1cc(c(cc1Br)OC)N
COc1cc(c(cc1F)I)OC
CC(C)(C)OC(=O)n1c2c(cn1)c(ncn2)Cl
CCOC(=O)C(F)(F)P(=O)(OCC)OCC
c1cc2c(cc1Cl)cc([nH]2)C(=O)NC[C@H]3CC[NH2+]C3
Cn1c(c2ccc(cc2n1)Br)C(=O)OC
COc1cc(c(cc1I)N(=O)=O)F
CCOC(=O)C(c1ccc(c(c1)OC)OC)(F)F
CCOC(=O)[C@@](c1ccc(cc1)F)(C(F)(F)F)O
CCOC(=O)[C@](c1ccc(cc1)F)(C(F)(F)F)O
c1cc(c(cc1C(=O)N2CCC(=O)CC2)Cl)F
c1cc(c(cc1F)OCC2OCCO2)Br
c1cc(c(cc1Br)F)OCC2OCCO2
c1c(cc(c(c1OCC2OCCO2)F)F)Br
c1c(c(cc(c1F)Br)F)OCC2OCCO2
c1cc(c(cc1Br)OCC2OCCO2)F
c1c(cc(cc1F)Br)OCC2OCCO2
COc1ccc(cc1OCC2OCCO2)Br