Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CC(c1noc(CC(C)(C)CC(=O)[O-])n1)S(C)(=O)=O
CC(C)Oc1ccccc1C(=O)NCCCCCC(=O)[O-]
CCCCC1(C(C)OC(=O)OC(C)C)NC(C(C)(C)O)=C(C(=O)[O-])[NH+]1Cc1ccc(c2ccccc2c2nn[n-]n2)cc1
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCC(C)C3
COC1=CCC2=C(C(=O)[S-])c3ccccc3N(C)C2=C1
COc1ccc(C(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc1S(=O)(=O)N(C)Cc1ccccc1
CC(C)Oc1ccnc(N(CC[NH3+])CC(F)F)n1
Cc1ccc2c(c1)CCCN2c1cccc(COc2ccc(CCC(=O)[O-])cc2)c1
CC(C)(C)c1ccc(c2nc3ncnc(N)c3[nH]2)cc1
Cc1ccc2[nH+]c(COc3cccc(C(=O)Nc4ccc(c5nnc6n5CCCCC6)cc4)c3)cn2c1
CC(C)CC(=O)N1CCCC2CCCC21
Cc1ccc(c2cnc(CCC(=O)Nc3ccc(OC(F)(F)F)cc3)o2)cc1C
Cc1c(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC4CCCCC4C)c3C)CC2)cccc1C(=O)NCc1ccc(F)cc1
C[P-]1(Cl)(Cl)(Cl)[n+]2cccc3ccc4ccc[n+]1c4c32
COC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1
CCOCCNC(=O)Cc1cccc(I)c1
Cc1ncc(C(=O)NCCOc2ccccc2)c(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)n1
CCCc1nc(N2CCSC(C)C2C)sc1CO
CCOc1ccc(C)cc1C(C)NC(=O)C(=O)Nc1ccc(CC)cc1
Cc1nn(C(C)C)c(C)c1NC(=O)CC([NH3+])C(C)(C)C
Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)N3CCCCC3)c2)CC1
CN(CCC#N)C1CCC[NH+](C)C1
CC1(C)OB(c2cc(C3CCC3)cs2)OC1(C)C
CCc1ccc(CCCC[NH2+]C2CC2)nc1
CCOc1cc(N)cc(OCC)c1
CCOC(=O)C1CSC(c2ccc(O)cc2)=N1
COc1ccc2[nH]cc(C(C[NH3+])C3CCCCCC3)c2c1
COC(=O)C(C)(CN1CCN(C)C(C)C1)[NH2+]C(C)C
NC(=O)C1CC[NH+](C2CCC([NH3+])CC2)C1
CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)[O-])cn3)ccc21
CCCc1cc(=O)oc2c1c(OC)cc(OC)c2c1ccnc(N(CC)CC)n1
NC(N)=[NH+]c1nc(CSCCNc2ns(=O)[nH]c2=O)cs1
COCCN(Cc1cccnc1)C(=O)Nc1cccc(C2SCCCS2)c1
COC(=O)N=C(SC)C(=Nc1ccc(C#N)c(CNC(=O)OC(C)(C)C)c1)c1cc(OC)c2c(c1F)CCCO2
Cc1cccc(N)c1c1nnnn1C1CCC(C)CC1C
COc1ccc(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)c(F)c1
Cc1cc(S(=O)(=O)NC(C)(C)C)c(C)n1S(=O)(=O)c1ccccc1
Cc1c(=O)n(C)c2c(C)c(O)ccc2c1c1ccccc1
CCOCC(Nc1ncc(C(=O)[O-])s1)C(C)C
COC(=O)c1ccc(C(OCCCC2CCCCC2)c2ccns2)cc1c1ccccc1C
COc1cc(C(=O)NCC(Nc2ccccc2)C(C)C)cc2c1OCCO2
O=COC(=O)NC(c1ccccc1)c1cccc(OCc2cccc(CC[NH2+]CC(O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1
CCNC(NCCOc1c(Cl)cc(Cl)cc1Cl)=[NH+]Cc1nncn1C
COc1ccc(C=CC([O-])=C2C(=O)NC3(C)CC2c2ccccc2O3)cc1
ClCC=Cc1ccccc1C=CCCl
O=c1[nH]c2cccc(Cl)c2c(=O)n1C1CCCC1
CC(=CC[NH2+]CCc1ccccc1C)C(=O)[O-]
Cc1cccc(N2CCN(C(=O)C(C)Oc3ccc(F)cc3)CC2)c1C
CCc1[nH+]ccn1CCN1CC[NH+](CC(=O)OCc2ccccc2)CC1
N#Cc1ccc(OC2CCN(C(=O)C3CCC(=O)CC3)C2)nc1
Cc1ccc(n2c(=O)c3ccccc3n3cnnc32)cc1
C[NH+](C)CCC(=O)Nc1cccc(Nc2nccc(c3c[nH+]c(c4cccnc4)[nH]3)n2)c1
C=CCCCCCC(=O)C(C)(C)c1ccc(F)cc1
COC(=O)CCCC=CCC1C(=O)CC(O)C1C=CC(O)C1(CCCCF)CCC1
COCCNC(=O)Cc1csc(c2ccc(Cl)c(N)c2)n1
CCC1=CCCOCC(OC2CC2)C1
CCC1CCCCC1C([NH2+]C)c1cn(C)nc1C
C=CCCCCOC(COCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+]
CC(OCC1CCCCO1)C(=O)N1CCSCC1c1cnn(C)c1
Cc1cccc(NC(=O)COc2cccc(C=C3SC(=O)N(Cc4ccccc4)C3=O)c2)c1C
Cc1ccc(C(=O)[O-])cc1Oc1ccc(Cl)cc1Br
C=C(C)Cc1c(C(=O)OCC)cc2c(OC)ccc(OC)c2c1OC
Cc1cccc2c(=O)n(CC(=O)NCc3cn(c4ccccc4)nc3c3ccc(F)cc3)cnc12
COC(=O)C(=O)C(C#N)c1cccc(Br)c1
CCC(C)c1csc(Cc2cccc(OC)c2)n1
O=C(NCc1ccccc1OCCO)NC1CCc2ccc(F)cc21
C=Cc1cccc2c(=O)cc(OCC(C)C)[nH]c12
CCCNc1nc(SCc2csc(c3ccc(Cl)cc3)n2)c(C#N)c(c2ccc(OCCN(C(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(C)C(=O)[O-])cc2)c1C#N
CCN(CCC[NH3+])C(=O)CC1CCCO1
COc1ccc(C(=O)COC(=O)C=Cc2ccc(Cl)cc2Cl)c(OC)c1
CCOC(=O)CCP(=O)(CCC(C)Br)OCC
CC(C)CCNc1nc(C[NH+]2CCOCC2)sc1C(=O)Oc1c(F)c(F)c(F)c(F)c1F
COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2
COc1ccc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2c2ccccc2)cc1OC
Cc1noc(C)c1CNc1c([N+](=O)[O-])c(C)nn1C
CCC[NH+]1CCN(c2cc(Cl)ccc2OC)CC1
CCn1c(C2CC(NC(=O)c3cccc(OC(F)(F)F)c3)N[NH2+]2)cc2cc(OC)ccc21
Cc1ccsc1c1sc(C#N)c(N)c1c1cccnc1
Cc1cc(Br)c(F)cc1NC(=O)c1ccc(=O)oc1
CCNC(=O)C(C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O
O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccc(N2CCOCC2)cc1
Cc1nc(C(C)[NH2+]Cc2ccc(C(C)C)cc2)cs1
C[NH2+]CC(Cc1ccc(Br)cc1)c1cccc(Cl)c1
CCCOc1cc(CC([NH2+]CC)C(C)(C)C)ncn1
CCc1ccc(c2nc(CS(=O)(=O)c3nc4ccccc4[nH]3)cs2)cc1
CC(C)(C)OC(=O)N1CC[NH+](C2CC=C(C=O)S2)CC1
COc1c(C)c(C(C)=CI)oc(=O)c1C
CS(=O)(=O)Cc1noc(C(C[NH3+])c2ccccc2)n1
Cc1ccc(c2noc(C[NH+]3CCC(C(=O)Nc4cc([N+](=O)[O-])ccc4Cl)CC3)n2)cc1
C#CCC(CC)N1C(=O)C2CCCCN2C(=O)C1CC
COc1cc(NC2=C(c3cccs3)C(=O)N(c3cccc(C)c3C)C2=O)cc(OC)c1
CCc1ccc(Oc2c(CC)oc3cc(OCC(=O)[O-])ccc3c2=O)cc1
CC1=CC2CCCC2C=C1c1ccc(NC(=O)c2cc(F)ccc2C)nc1
Cc1nc(CSC(C)C)nc(C)c1CC(=O)[O-]
C[NH+]1CC(NOCc2ccccc2)CCC1C(=O)NOCCNC(=O)OC(C)(C)C
CC([NH2+]Cc1ncc[nH]1)c1ccc(F)cn1
Cc1c(O)cc(Cl)c(F)c1C
CCC[NH2+]C(C)c1ccc(N(C)C(C)CSC)cc1Br
CC1=CC[NH+](CC2CCC(C)O2)CC1
CC1=[NH+]C(=O)C(=Cc2ccc(C(C)C)cc2)N1