Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
Cc1cc(C(=O)COC(=O)Cn2nnc(c3ccsc3)n2)c(C)n1C1CC1
CCc1cc(Oc2ccc(Cl)cc2N)nc(C)n1
CC[NH2+]C(COc1ccccc1)c1ccc(OC)cc1C
C=CC([NH3+])c1ccc(OC)c(Cl)c1
COc1cc(CBr)ccc1OCC#N
Clc1cccc(c2csc(Nc3cccc(Cl)c3Cl)n2)c1
COc1cc(C)cc2c3c([nH]c12)CC(C(=O)[O-])CC3
CCn1cc(CC(C)c2cc(Cl)c(OC)c(Cl)c2)nn1
C[Si](C)OC(C(C=O)Cc1ccc2ccccc2c1)C(C)(C)C
CCOC(=O)c1c(NC(=O)COC(=O)C2CCCO2)sc(CC)c1C
COc1cc(C#N)ccc1Oc1ccc(C(C)[NH3+])c(Br)c1
Cn1ccnc1Cn1c(=O)ccn(C)c1=O
COc1cccc(n2ncc3c(N=NCc4ccccn4)ncnc32)c1
C=C1c2ccccc2C(=O)N1CC(=O)N1CC[NH+](CCOc2ccccc2)CC1
CC(=O)N1CCN(C(=O)c2c(C3CC3)nn(Cc3ccccc3)c2C)CC1
CN(Cc1ccc(c2nnc(c3nc(Br)cnc3N)o2)cc1)C(=O)OC(C)(C)C
O=c1cc(C2CC[NH+](Cc3nccs3)CC2)nc2cc[nH]n12
Cc1cccn2c(=O)cc(CN(C)CCC(F)(F)F)nc12
CC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2C1c1ccc(OCc2cc(C)c(C)cc2C)cc1
CSCCC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(C(=O)NC(CS)C(=O)[O-])C(C)O
COc1cc(NC(=O)c2ccnc(N3CCOCC3)n2)cc(OC)c1OC
O=S(=O)(CC1CC1)Nc1ccc(F)c(I)c1F
CC(C)N(CC(=O)[O-])C(=O)C1CC(=O)N(C(C)c2ccccc2)C1
C#CCNC(=O)COc1cccc(C#N)c1
CC(Nc1cc(C(C)C)ncn1)C(=O)[O-]
OC(c1ccc(F)c(F)c1)c1ccccc1F
CC(C)NC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCSc1ccc(Cl)cc1
CCOc1ccccc1OCCCC(=O)Nc1c(C)cc(C)nc1C
CCOC(=O)N1CCN(c2c(NC(CC)Cc3ccccc3)c(=O)c2=O)CC1
CCC(O)CCNC(=O)Nc1cccc(C)c1Br
Cc1sc(C#N)cc1B1OC(C)(C)C(C)(C)O1
O=C([O-])c1ncc(O)cc1C(F)(F)F
CC(C)c1cccc(C(C)C)c1NC(=O)Cc1ccccc1N
CC1CN(C(=O)C2CCCCCC2)C1C
COc1cc(CO)ccc1OC(C)C(=O)NC(C)C
CC(CO)c1ccc(COCc2ccc(C(C)CO)cc2Cl)c(Cl)c1
CCCCC(CC(C)C)OS(N)(=O)=O
CC(NC(=O)NCC#Cc1ccccc1)c1ccccc1
CC(=O)c1ccccc1P(C1CCCCC1)C1CCCCC1
C=C(C)C(=O)NC([NH3+])(CC)CC
CC1(C)CC(Nc2cccc(NC(N)=O)c2)CC(C)(C)C1
Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OCC(F)(F)F)cn1
Nc1c(N=Nc2ccc(c3ccc(N=Nc4c(O)nc5ccccc5c4O)cc3)cc2)c(SOOO)cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)[O-])cc3)c(O)c12
c1ccc(c2cc3ccccc3nc2c2cccc(c3nc4ccccc4cc3c3ccccc3)n2)cc1
C[NH2+]C(CCOCC(F)(F)F)c1cc(Br)ccc1OC
Cc1c(S(=O)(=O)NCC(C)(C)C(N)=O)cc(c2cc(C(C)(C)C)c3c(c2)C2(CCO3)CC2)n1CC1CCCCC1
CCC(CNC(=O)c1csc(N)n1)C(=O)[O-]
COc1cccc(C(=O)n2nc(OCC(C)C)nc2c2ccc(Cl)cc2Cl)c1
CC(C)[NH+](CCCCCC[NH3+])Cc1cccs1
COc1cc2c(cc1OCCCCCC[NH+]1CCN(C(=O)c3ccccc3NCc3ccc4ccccc4c3)CC1)N=CC1CCCN1C2=O
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1
Cc1cc(OCc2ccccc2CNC(=O)Nc2cc(C(C)(C)C)nn2c2ccc(O)c(Cl)c2)c(Cl)c(=O)n1Cc1cccc(CNN(CC=O)C(=O)OC(C)(C)C)c1
O=C([O-])N(Cc1ccccc1)CC1Cc2cccc(Cc3ccccc3)c2O1
CC1(C)CCC(CC(=O)NCC(N)=O)CC1
CN(C(=O)C=Cc1ccc(C(=O)NC2CC2)cc1)C(c1ccccc1)c1ccccc1
Cn1cc[nH+]c1CC(O)c1c(F)cccc1Cl
C[NH2+]Cc1cc(Br)ccc1Sc1ncnc2ccccc12
CC1CCC(C(=O)N(C)CCC#N)CC1
CCCC(C)[NH2+]Cc1ccccc1F
Cc1ccccc1OCCN=C=O
COc1cccc2c(C(C(=O)[O-])[NH+]3CCN(c4ccc(C(C)=O)cc4)CC3)c[nH]c12
CCCCCCCCCC(C)(CBr)C1CC1
C[NH+](C)CC(C)(C)COc1cnc(c2cccc(Cn3nc(c4cccc(N)c4)ccc3=O)c2)nc1
COC(=O)NC(C(=O)NC(Cc1ccc(c2ccccn2)cc1)CC(O)C(Cc1ccccc1)NC(=O)C(N1CCN(Cc2cccnc2C)C1=O)C(C)(C)C)C(C)(C)C
COC(=O)C(CC(C)C)N(C(=O)C(Cc1ccccc1)NC(C)=O)C1COc2ccc([N+](=O)[O-])cc21
Cc1c(C(=O)N2CCC23CCC3)sc2nccn12
CCn1nc(C)cc1C(=O)NCC1C2CC2CN1C(=O)c1nc(C)sc1c1ccc(C)c(C)c1
CCCCNc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O
Cc1noc(C)c1CCCNC(=O)NC(CCO)C1CCCCC1
Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1
Cc1nc(N)c2ccc(C(C)(C)C)cc2n1
C[NH2+]C(c1ccn[nH]1)c1ccc(Cl)s1
CCN(CC(=O)[O-])C(=O)C1CC2CCC1O2
COc1cc(C(=O)NCCSC(c2cc(Cl)ccc2N)C(C)C)cc(OC)c1OC
C#Cc1cccc(NC(=O)c2csc(C(=O)OCC)n2)c1
CCCCOC(=O)c1ccccc1NC(=S)N(C)C
CCCC[NH+](CC(=O)Nc1ccc(N)cc1OC)C1CC1
CC1(C)CN(c2ccc(C(N)=S)c(F)c2F)CC(CO)O1
O=C(NCc1ccc(OC(F)F)c(Cl)c1)C1CC1
COCC(C)[NH+](C)Cc1csc(C(=O)NN)n1
CCOC1CC(NC(=O)N2CC([NH3+])C(c3cnn(C)c3)C2)C12CCCCC2
CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl
CNc1cc[nH+]cc1C(=O)N1CCCC(OC)C1
CCc1nc2nc(OC)c(C(=O)[O-])cn2n1
O=C([O-])C(CCn1nnc2cccc(F)c2c1=O)C(O)CCc1ccc(c2ccc(F)cc2)cc1
Cc1nc(NN)c(C)c(NCC2(C)CCC2)n1
C=CCNc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1
CC[Si](Cl)(CC)OCCCCCl
Clc1ccc(c2nc3c4ccccc4ccn3c2C[NH+]2CCCCC2)cc1
CCC(c1ccccc1)C([NH2+]C)c1cc(Cl)sc1Cl
CNC(=O)Oc1c(C#N)sc2ccccc12
CC1=NC(=O)C([N+](=O)[O-])C(N)=[NH+]1
CC1C(=O)C(C)C2CCC1C2
O=C(Nc1nc(c2ccccc2)cs1)c1ccc(Cl)nc1
CC1CN(Cc2cccc(Cl)c2Cl)C(C(C)(C)C)C[NH2+]1
COC(=O)c1ccc(C=O)c(F)c1C#N
CCCCCCCCCCNC(=O)c1csc(I)c1
Cc1ccc(C)c(c2[nH]c(CCC(=O)[O-])c[nH+]2)c1
O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2nc[nH]c2c1
CC1(C)C2CC3C(c4c(F)cccc4F)OCCC3(C2)C1NC(=O)CCO