Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
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smiles
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7
778
CC[NH2+]C(CCC1CCCCO1)CC1CC1
O=C([O-])C1CCC1[NH2+]CCOC1CCCC1
Nc1cnc(Br)c(Br)c1C(F)F
CC(C)N1CCNc2ccc(C#N)cc21
Cc1cc(C)n(Cn2nc(C)c(NC(=O)c3cc(COc4ccc5c(c4)OCO5)cs3)c2C)n1
CC#Cc1ccc(C(=O)NC)cc1[N+](=O)[O-]
CCC(C)(C)c1nnc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)s1
CCC[NH2+]CC(=O)NCc1cccc2cccnc12
Cc1cc(C(=O)NCc2ccccc2F)ccc1O
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(N=Nc4ccccc4)cc3)c2c(O)c1c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(N=Nc4ccccc4)cc3)c2c1O
CC(C)COCCOCCn1cc(C[NH2+]C(C)(C)C)nn1
CN(C)c1ccc(c2ccc(CN(C(=O)C3CCCCC3)c3cccc(NCc4ccncc4)c3)cc2)cc1
COC(=O)C(C)NP(OCC(CC(C)(N)[NH2+]C=CC(N)=[NH2+])OC)Oc1ccccc1Cl
Cc1ccccc1CC(=O)OCC(=O)N1CC(=O)Nc2ccccc21
O=C(NCCOc1ccccc1)NCCc1cnn(c2ccccc2)c1
CC1(NC(=O)C2CCCC(C[NH3+])C2)CCCCC1
NNC(Cc1csc2ccccc12)C1CCCS1
CCNC(NCCc1cnn(c2ccccc2)c1)=[NH+]Cc1sc(C)nc1C
CCCCC(=O)NCCOCCOC
CCCCC1CCC(C2CCC(CCc3ccc(OC(F)F)c(F)c3F)CC2)CC1
CC(C)N(c1ccc(C(C)(O)C(F)(F)F)cc1)S(=O)(=O)c1cc(Br)ccc1Cl
CCC[NH2+]CC(=O)N1CC(CO)C1
CCCC#Cc1cccs1
CCOc1cc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)C2c2cc(Cl)c(OC)c(Cl)c2)ccc1OC
O=C(NC1CC1)c1cccc(NC(=O)N2CCOCC2)c1
CCNC(NCC1(CC)CCC1)=[NH+]Cc1ccc(C(=O)NCC(N)=O)cc1
Cc1ccc(N(c2ccc(c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccc3c(c2)c2cc(C)ccc2n3c2cccc(c3ccc(c4ccccc4)s3)c2)cc1
COc1cccc(C(=O)N2CC(C(=O)N3CCc4ccccc4C3)C(c3ccc(C)cc3)C2)c1
CC(=NNC1=[NH+]C(=O)C(CC(=O)Nc2ccccc2C)S1)c1ccccc1
CCC1(C)CC(O)(Cc2c(C)cc(C)cc2C)CCO1
CCOCc1ccccc1C[NH2+]C(C)C1(C)CC1
C[NH2+]C=CC(=O)c1cn(CCN2C(=O)c3ccccc3C2=O)c2ccccc12
COC(=O)C(O)c1ccc(OC)c(N)c1
F[B-](F)(F)c1cccc(OCOCC2CC2)c1
CC[NH+](Cc1nc(c2ccccc2C)no1)CC1COc2ccccc2O1
Cc1nc(c2ccc(C(F)(F)F)cc2)oc1COC(C)(C)C(=O)[O-]
O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc2c(c1)OCO2
CC(C)Oc1ccc(C(N)=O)c(Br)c1
Cc1ncsc1C(=O)N1CC(CO)CCC1C
CC(=O)N1C(=O)C=C(c2ccccc2)C1Br
COc1ccccc1CCNc1cc(NCC[NH+](C)C)nc(c2ccccc2)n1
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1
CC(O)(CS(=O)(=O)c1ccc(Cl)cc1)c1nc(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1
FC(F)(F)c1ccc(Cl)c(NC(=S)N(CCC[NH+]2CCOCC2)Cc2ccccc2Cl)c1
CCC(C)S(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
CCNc1cc(C)nc(C[NH+](C)CC2CC2)n1
OC1(C(F)(F)F)CCC2(Cc3ccccn3)c3cc4cnn(c5ccc(F)cc5)c4cc3CCCC2C1
CC(CCl)CCCOCc1ccccc1
CCNC(=O)CN(c1ccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)OC)ccc23)cc1)S(C)(=O)=O
CC=C(C=O)[Sn](CCCC)(CCCC)CCCC
O=C(CC1CC[NH2+]C1)Nc1ccccc1C(=O)[O-]
CCCc1c(F)c(S(N)(=O)=O)cc(N2c3ccccc3C=Cc3ccccc32)c1Cl
Nc1[nH+]cc(OP(=O)([O-])[O-])n1C1OC(CO)C(O)C1O
CC(C)c1ncn(CCO)n1
CC(=O)NC(C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
Nc1ccc(c2ccc(N3CCCCCC3)nc2)cc1
COc1cc(NC(=O)c2cc(NCc3cccs3)cc(S(=O)(=O)N(C)C)c2)cc(OC)c1
Cc1ccc(C)c(NC(=O)CN2CCCCCC2=O)c1
C=CCn1c(=NC(=O)Cc2ccc(OC)cc2OC)sc2cc(S(C)(=O)=O)ccc21
O=C(c1ccc(N2CCc3ccccc3C2)cc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
O=C(CC[NH+]1CCCCCC1)c1ccc(Cl)cc1Cl
CC(Oc1c(Br)cc(C=NN2C(=O)C3C4C=CC(C4)C3C2=O)cc1[N+](=O)[O-])C(=O)[O-]
Cc1ccc(C(C)[NH2+]C2CCC(=O)N(C)C2=O)cc1F
Cc1ccc(Cl)cc1NCCNc1cccc(Cl)c1
C[NH2+]C(C1CCOCC1)C1(C(=O)OC)COC1
CCOC(=O)C(C)(C)CC(c1ccccc1)n1cc(C[NH+](CC2=CN(C(CC(C)(C)C(=O)OCCCOC(=O)CN3C=C(C[NH+](C)CC4=CN(CC(=O)OCCCOC(=O)C(C)(C)CC(c5ccccc5)N5C=C(C[NH+](CC6=CN(C(CC(C)(C)C(=O)OC)C(=O)OC(C)(C)C)NN6)Cc6cn(C(CC(C)(C)C(=O)OC)C(=O)OC(C)(C)C)nn6)NN5)NN4)NN3)c3ccccc3)NN2)Cc2cn(C(CC(C)(C)C(=O)OCC)c3ccccc3)nn2)nn1
CC(C)CCCOc1ccc(C=O)s1
CC(C)(C)OC(=O)N1CC(n2cc(Br)c3c(N)ncnc32)C1
CCS(=O)(=O)Nc1cc2oc(c3ccc(F)cc3)c(C(=O)NC)c2cc1c1cc2n(c(=O)n1)CCn1c-2cc2c(F)cccc21
C=CC(C)[NH2+]C1CCC(=O)N(C)C1=O
COc1ccc(C=CC(=O)N(C)CC(C)(C)C[NH3+])cc1
CCC1=CC=CC2=Nc3cnn(C)c3C(=O)C12
COC(=O)c1ccc(F)c(NC(=O)NCCCC(=O)NC2CC2)c1
CC(C)C(C)C1C(=O)Nc2c1cccc2[N+](=O)[O-]
Nc1ncnc2c1c(c1ccc3c(Nc4cc(F)ccc4F)n[nH]c3c1)nn2C1CCC([NH+]2CCOCC2)CC1
CCCC(C)C(=O)NC(C(=O)[O-])c1ccc2c(c1)CCO2
Cn1nc(C=O)cc1C(C)(C)C
CC1(C)CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc21
O=C(c1ccncc1)N1CC(n2cc(C(=O)N3CCOCC3)nn2)C1
CCC[NH2+]C1CC(OC(C)CCC)C1(CC)CC
CCOC1CC(CC(=O)NC2CCN(c3ncccc3F)C2)C1
Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(Br)c(C(=O)N(C)C)c3)CC2)cccc1C(=O)NC1CCCCC1C
C[NH+](Cc1cccnc1Cl)C1CC[NH2+]CC1
[NH3+]CCN1CCC2(COC2)C1
CC([NH3+])Cc1cccc(F)c1N1CCC[NH+](C)CC1
Cc1cc(C(F)F)n2ncc(C(=O)NC3CC3)c2n1
CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
c1csc(c2csc(C[NH2+]CCc3ncno3)c2)c1
C=CC1=C(C)C(=O)NC1=Cc1[nH]c(C(=O)c2[nH]c(C=C3NC(=O)C(C)=C3CC)c(C)c2CCC(=O)[O-])c(CCC(=O)[O-])c1C
CCOc1ccccc1C(=O)N1CC[NH+](CC(=O)NCc2ccccc2)CC1
CCC1C(C(=O)[O-])c2cc(OC)ccc2N1C(C)=O
CCOC(=O)C1CC(C(=O)c2cc(OC)ccc2N)NN1C(=O)CC
Cc1nc2nc(SCC(=O)NCc3ccco3)nn2c(C)c1Cc1ccccc1
CCS(=O)(=O)N1CC[NH+](Cc2ccc(C(=O)Nc3cccc(C(=O)OC)c3C)cc2)CC1
O=C([O-])CC(C(=O)[O-])=C(CC(=O)OC1CCCCC1)C1CCCCC1
CCOc1cc(C=C2SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(Cl)c1OC
COc1ccc2c(c1)N(CC(=O)NC(N)=O)C(=O)C2=O
C=C(CSc1ccccc1)C1CCC2C(OCOC)C1(C(=O)OC)CC2(C)OCOC
COCCN(CC1CN(C(=O)c2cccs2)CCO1)C(=O)c1ccccc1F
CN(CCOc1ccc(F)cc1)C(=O)NC1CCN(C(=O)C2CCCCC2)C1