SMILES
stringlengths 5
260
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CN(C)C(=O)c1c(nc(s1)S(=O)(=O)c2ccc(cc2)Cl)Br |
c1cc(ccc1C(=O)OC[C@@H]2[C@H](C[C@@H](O2)O)OC(=O)c3ccc(cc3)Cl)Cl |
c1cc(ccc1C(=O)OC[C@@H]2[C@H](C[C@H](O2)O)OC(=O)c3ccc(cc3)Cl)Cl |
c1c(cc(c(c1OC(F)(F)F)NC(=S)N[NH3+])Br)Br |
Cc1cc(ccc1OC2CN(C2)c3ccnc(n3)Nc4cccc(c4)C(=O)NC)F |
CC(C)n1c(cc(n1)c2cc(c(nc2)N)OC(F)(F)F)[C@H]3[C@H]4[C@@H]3C[NH+](C4)C5COC5 |
c1cc(sc1)c2cc(=O)[nH]c(n2)[C@@H]3CCC[NH+](C3)Cc4cn(cn4)c5ncccn5 |
C[C@H]1COCCN1c2nc3c(cccn3)c(n2)NCc4cccnc4C(F)(F)F |
Cc1c(cc2c(c1F)CN(C2=O)[C@H]3COCC[C@@H]3O)Cc4ccc(cc4)n5cccn5 |
CC1(C(=O)NCCN1C(=O)c2cn3c([nH+]2)c(cc(n3)c4ccc(cc4)F)C(C)(C)C)C |
C[C@H](C(=O)OC(C)C)NP(=O)(N[C@H](C)C(=O)OC(C)C)Oc1ccccc1 |
CO[C@H]1CC[C@@H](CC1)Nc2c(cc(cc2)Br)NC(=O)[C@@H]3NC(=O)CCC3 |
C[C@H]([C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)OC)C(=O)N[C@@H](C)[C@H](c2ccccc2)O |
C[C@H]([C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)OC)C(=O)N[C@H](C)[C@@H](c2ccccc2)O |
CS/C(=N\C#N)/SCSc1nc(ns1)SCC=C |
CS/C(=N\C#N)/Sc1ccc(cc1)I |
C[C@]1\2CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC/C2=N\OCC(=O)[O-])O |
CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N(=O)=O |
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)[C@@H](C)NC(=O)OC(C)(C)C |
c1ccc2c(c1)C(=O)N(C2=O)CCCCc3c[nH]c4c3cc(cc4)C#N |
C([C@@H]1[C@H]([C@@H](C([C@@H](O1)O)(F)F)O)O)O |
C([C@@H]1[C@H]([C@@H](C([C@H](O1)O)(F)F)O)O)O |
c1cn2c(nc1=O)O[C@@H]3[C@@H]2O[C@H]([C@@H]3O)CO |
C[NH+]=C1N[C@H]2[C@H]([C@@H]([C@H](O[C@H]2S1)CO)O)O |
C[NH+]=C1N[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O |
Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2C(=O)c4ccc(o4)C)OCCO3 |
Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2C(=O)c4ccccc4)OCCO3 |
Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(cc2C(=O)c3ccc(o3)C)OC)OC |
C[C@@H](c1ccc(cc1)N(C)C)NC(=O)[C@H]2C[NH2+]C[C@@H]2c3ccc(cc3)C(F)(F)F |
c1cc(ccc1N)N2CC[NH+](CC2)[C@@H]3C[C@H]4CC[C@H]3C4 |
c1cc(ccc1C[NH3+])N2CCC(CC2)C(F)(F)F |
c1ccc(cc1)CCCCCCCCCC=O |