Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
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Community
1
smiles
stringlengths
7
778
CCCCOc1c(Cl)cc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)cc1OCC
CN(C)C(=O)C1CCC[NH+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1
Oc1c(C[NH+]2CCOCC2)c(O)c(C[NH+]2CCOCC2)c(O)c1C[NH+]1CCOCC1
C=CCC(Sc1cc(C)nc2ncnn12)c1ccccc1
Cn1nnnc1SCC1OC(c2cccc(N)c2)OC(c2ccc(CO)cc2)C1c1ccccc1
CCC1C(=O)NC(=O)CN1S(=O)(=O)c1cnc(Cl)c(Cl)c1
Cc1c(Cl)cccc1N(CC(=O)NN=Cc1ccc(OC2CSC2)cc1)S(=O)(=O)c1ccccc1
CCC[NH2+]Cc1cc(F)ccc1OCc1ccc(Cl)cc1
CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1CN=[N+]=[N-]
CCCC(Oc1ccc(CC[NH3+])cc1OC)C(=O)OCC
O=C([O-])Oc1cnn(c2cccc(c3cc(F)ccc3c3ccc(C4CCN(CC(F)(F)F)CC4)c(F)c3)n2)c1C(F)(F)F
CCOC(=O)C1Cc2c[nH+]ccc2N1
Cc1cc2c(Cl)cc(Cl)cc2[nH]1
CCC(c1nc2ccccc2c(=O)n1c1ccc(OC)cc1)N(Cc1ccccc1)C(=O)c1ccc2ccccc2c1
Cn1nccc1C(=O)NCCC1CCC[NH2+]C1
COc1cccc(Cn2cc(C=O)c3nccnc32)c1
CCCCC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC=CCC=CCC=CCCCCC)COP(=O)([O-])OC1C(O)C(O)C(O)C(O)C1O
CC1CC[NH+](Cc2nnnn2CCCC(=O)N(C)C(C)c2ccncn2)CC1
CC(C)(C)C12CC3CC(CC(P(Cc4ccccc4C(P)(c4ccccn4)c4ccccn4)C45CC6CC(C4)CC(C(C)(C)C)(C6)C5)(C3)C1)C2
CN1CCCC([NH+]2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2)C1
COc1ccc2[nH]cc(CC(=O)N3CCN(C=O)CC3)c2c1
CCC[NH2+]C(CCO)CN(C)CCC[NH+](C)C
C[NH+]=C(NCCc1ccc(Cl)nc1)NCc1ncccc1F
CCCCCCOc1cc(O)c([O-])c2c1C(=O)c1ccccc1C2=O
CC(C)C([NH3+])Cc1ccc(F)cc1F
CCc1ccc2c(c1)C([NH2+]CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)Nc1ccccc1)CCO2
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)c1
C#CCCCCC(=O)NC(C)CC(=O)[O-]
Nc1cc(CBr)[nH+]c(I)c1OC(F)(F)F
COc1ccc(C)cc1CCNC(Nc1ccc(OC(C)C)cc1)=[NH+]Cc1nncn1C
CC[NH+](CCC(N)=[NH2+])Cc1ccccn1
c1ccc2c(c1)-c1ccc(c3cc4cccnc4c4ncccc34)cc1-c1ccccc1-c1nc3c(ccc4ccccc43)cc1-2
CCC(OC(=O)c1ccncc1)C(=O)Nc1ccccc1OC
NC1=[NH+]CC(c2ccccc2)N1c1ccc(F)cc1
Cc1cccc(OCC(O)C[NH+](C)C(C)c2ccncc2)c1
O=C(CBr)Cc1cccc(C(O)C(=O)[O-])c1[S-]
Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)C2C(=O)NC(CC(=O)[O-])C2CCCCC2)cc1
Nc1nc(=O)c2[nH]c(c3ccc4c(c3)NCC4)nc2[nH]1
CC[NH2+]C(c1ccc(C)o1)c1c(C)c(C)c(C)c(C)c1C
O=C([O-])CCNC(=O)NCCOCc1ccccc1
CCOC(=O)N1CCN(C(=O)CC2(c3ccccc3Cl)CC(=O)N(C)C2=O)CC1
O=C([O-])c1c(OC2CCCC2)cccc1[N+](=O)[O-]
COc1ccc(CNC(=O)N(C)CCCCCc2cc(c3ccccc3)n[nH]2)cc1OC
Cc1cn(c2ccc3n(c2=O)CCN(CCOc2cccc4cc(F)c(F)cc24)C3=O)cn1
O=C([O-])c1nnn(O)c1C(=O)[O-]
CC(Cc1ccsc1)Nc1cc(=O)n(C)c2ccccc12
CCc1c(C(=O)N2CCC(OCCC[NH3+])CC2)cnn1Cc1ccccc1
COC(=C1C2CC3CC1CC(Cl)(C3)C2)c1ccc(Cl)c(OC2OC(CO)C(O)C(O)C2O)c1
Oc1ccc2ccccc2c1C(Nc1nc2ccccc2s1)c1ccc(F)c(F)c1
CCOc1ccc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)Nc4ccc(F)c(F)c4)cc3C)CC2)cc1
CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1c1ccc(Cl)c(Cl)c1
CC(=O)c1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
COC(OC)C1(c2ccccc2)CO1
CCc1nn(C)cc1c1ccoc1C[NH2+]C1CC1
Cc1oc(Cn2c(=O)n(C)c3ccccc32)cc1C(=O)[O-]
COC(=O)C1(c2cccc(Cl)c2)CC(O)C1
CCC[NH+](CCSc1ccccc1)CC(=O)NC
C[NH+]=C(NCCC[NH+](C)CCOC)NCCc1cc(C)ccc1OC
CCC1CN(CC(C2CC2)C2CC2)CC[NH2+]1
O=C1C2C3c4ccccc4C(c4ccccc43)C2C(=O)N1c1ccccc1[S-]
c1cncc(c2cc(c3cccc(c4nc5ccccc5c5nc6ccccn6c45)c3)cc(c3cccnc3)n2)c1
CCN(CC)c1ccc(NCC(=O)Nc2cccc(C(C)=O)c2)c(C)c1
C[NH+]1CCN(c2cc(Cl)ccc2CCC[NH2+]CCN)CC1
O=C(NCC1(c2ccccc2)CCOCC1)c1cc(Br)cnc1Cl
O=C(COc1ccc(I)cc1)c1ccccc1
CCCNC(=O)NC(=O)C[NH+](CCO)C(C)C
O=C(CCl)NCCNC(=O)c1cccc(F)c1
CCOC(=O)c1c(N)scc1c1cccc(F)c1F
C[NH+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)Cc1ccsc1
Cc1ccc(S(=O)(=O)NC(CCSc2nnc(C3CC3)n2C2CC2)c2ccccc2)cc1
CC(NC(=O)OC(C)(C)C)C1COCCC1[NH2+]Cc1cc(F)cc(Br)c1
CCCc1c(CC)cc(C#CP(=O)(OC)OC)n1C
OCc1nnn(c2cccc(c3ccco3)c2)n1
Cc1nc(C2CCCN2C(=O)NC(C)CC2CCCO2)cs1
CC([NH3+])CCCC(=O)c1c(Br)cnn1CC[NH+](C)C
Cc1onc(c2ccccc2Cl)c1C(=O)NCCC(O)c1ccco1
CC(C)Cc1ccsc1S(=O)(=O)NC(C)(C)C
N#CCC1(n2[nH]c(Nc3ccccc3)c3c(=O)nccc2-3)CCN(C(=O)[O-])CC1
CCCCOc1ccc(c2ccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)c(C)c2)cc1C
O=C1[NH+]=C(Nc2ccccc2)NC1=Cc1c(Cl)cccc1Cl
COc1ccc(COc2cncc(NC(=O)[O-])c2)cc1
O=C(c1cccs1)N1CC[NH+](Cc2ccc(O)cc2)CC1
C[NH2+]Cc1ccc(Oc2ccccc2C(N)=O)nc1
CC[NH2+]C(CC)C(C)Sc1ccc(Cl)cn1
CC1C(=O)C(C)C2(C)OC1C=C2C=O
Cc1cc2nc(CN(C)C(=O)c3cc(C(c4ccccc4)c4ccccc4)no3)[nH]c2cc1C
Cc1ccc(OCCc2ccccc2)c(OCCc2ccccc2)c1
CN(Cc1ccccc1)[NH+](C)[O-]
Cc1cccc(C[NH+]2CCN(C(=O)c3cc(N)ccc3C)CC2)c1
CCc1cccc(CC)c1[Ge]1(c2c(CC)cccc2CC)C[Ge](c2c(CC)cccc2CC)(c2c(CC)cccc2CC)C23c4c5c6c7c8c9c%10c%11c(c2c2c%12c3c3c%13c4c6c4c6c7c7c8c8c%10c%10c%14c%11c2c2c%11c%12c%12c3c3c%13c4c4c6c6c7c7c8c%10c8c(c%142)c2c%11c%12c%10c3c4c3c%10c2c8c7c63)C591
O=C(Nc1cccc(N2CCCC2)c1)Nc1ccc(Oc2ccnc(c3cn[nH]c3)c2)c(F)c1
[NH3+]C1CCC(n2ncc3c2CCC([NH3+])C3)CC1
C[NH+]1CCOC2CN(S(=O)(=O)c3cnn(c4ccccc4)c3)CC21
O=C(Nc1ccc(CNC(=O)c2ccccc2I)cc1)c1ccco1
NC(=O)c1cn(C2(C[NH3+])CCN(c3cccc(F)n3)CC2)nc1Nc1ccc(F)cc1
CC(=O)OCC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)C(N2C(=O)c3ccccc3C2=O)C(OC(C)=O)C1OC(C)=O
CCc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccccc2)cc1
CN(C)C(=O)C[NH+]1CCCN(C(=O)c2cccc3ccccc23)CC1
O=c1c2ccoc2ccn1CCCOc1cccc2ccccc12
CC[NH+]1CCN(C(=O)CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1