Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CCN(C(=O)C(=O)N1CCCCCC1)c1ccccc1
Cc1onc(c2ccc(F)cc2)c1C(=O)N1CCC2(CC1)CNC(=CC(=O)c1nc(Cl)c(N)nc1N)[NH2+]2
CCC(C)=CC(=O)N(Cc1ccccc1)Cc1ccccc1
CC1C[NH+](CCNc2cccc(F)c2)CC(C)N1C
CCOC(=O)c1ccc(Cc2ccc(N(CCO)CCO)cc2)cc1
CCOC(=O)C(C(=O)OCC)(C(=O)OCC)C1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21
Cc1ccc(C(=O)N2CCCN(C(=O)c3ccc(F)c(F)c3)C2C(=O)NCC[NH3+])cc1
CCC[NH2+]CC(O)COc1ccccc1C(=O)c1ccc(C)cc1
COCCNC(=O)CC(Cc1ccccc1)c1cn(Cc2ccc(OC)cc2)c2ccccc12
C[NH2+]CCC(Oc1ccc(Cl)cc1)c1ccccc1
CC(C)(C)OC(=O)c1nc(c2ccc(Cl)cc2)nn1c1ccc(F)cc1
CCC(C)C(NC(=O)C([NH3+])C(C)C)C(=O)NC(CCSC)C(=O)NC(CS)C(=O)[O-]
Cc1ccn2c(C3CC[NH+](C)CC3)nnc2c1
CCC(NC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccccc1OC(F)F
c1ccc(CP(Cc2ccccc2)c2ccccc2c2ccccc2P(Cc2ccccc2)Cc2ccccc2)cc1
CC(C)C[NH2+]CC1CCOC1c1ccc(F)cc1
CC(C)CN([NH3+])C(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1
CC(C)[NH+](C(C)C)C(C)N=C=N
CSc1nc(C)nc2c1c(C)nn2CC(=O)[O-]
COC(=O)c1ccc(NC2C[NH2+]CC2OC)c(F)c1F
CC(=O)N(C)Cc1cccc(NCC2CCSC2)c1
Cc1cccc(C[NH+]2CCCC3(CC[NH+](Cc4c[nH+]c(C)n4C)C3)C2)c1
CCCCNc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)nc1
Cc1coc(C(=O)NC(CC(C)C)C(=O)NC2CCCN(C(=O)Nc3ccccc3F)CC2=O)c1
CCCOc1nc(Oc2ccc(Cl)c(C(F)(F)F)c2)nc2oc(c3cc(C)c(OCC(=O)[O-])c(C)c3)nc12
CC1CCCCC1NC(=O)C1c2cccn2CC(=O)N1CCc1ccc(Cl)cc1
N#Cc1ccnc2cccc(Cl)c12
O=C([O-])CCc1csc(N2CC[NH+]3CCCC3C2)n1
C[Si](C)(C)C#CC(=C[Si](C)(C)C)C1CCCC(=O)C1
O=C([O-])C1CC[NH+](C=CC(=O)C(F)(F)F)CC1
CC1(C)C(=O)NCCN1C(=O)c1ccc(F)c(F)c1F
CCCNC(C#N)(COc1cc(C)cc(C)c1)C1CC1
C=CCCCCC[NH2+]C1CCCC1SCC
CC(=O)NCCC[NH2+]Cc1ccc(c2ccc(Br)cc2)s1
O=c1nc[nH]c2c(O)c[nH]c12
CCn1cc(N)c(C(=O)NCc2ccnn2C)n1
COc1ccc(NC(=O)c2nnc(C[NH+]3CCOC(c4ccc(Cl)c(Cl)c4)C3)s2)cc1
CCC(C)(C)C(C)CC(C)C(C)C
C=C1C=CC=CCNc2ccc(c3ccc4c(c3)c3ccccc3n4c3ccccc3)cc21
CCCCCC(=O)Oc1ccc(CC=O)cc1
C1=C2c3scc[n+]3[B-](c3ccccc3)(c3ccccc3)[N+]2c2ccccc21
CNC(=O)c1c(OCC(=O)[O-])cccc1c1ccccc1
C[NH+](C)C(CNC(=O)COc1cccc(C(F)(F)F)c1)c1cccs1
CC(C)CCCC(C)n1c(=O)c2sc3c(=O)n(C(C)CCCC(C)C)c(=O)c3sc2c1=O
NS(=O)(=O)c1ccc(CCNC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)cc1
COc1ccccc1c1cn2cc(N)ccc2[nH+]1
CN1CCCC2(CNCCC[NH2+]2)C1
Cc1ccc2c(c1)C(C)(C)c1cc(c3cnc([Si](c4ccccc4)(c4ccccc4)c4cnc(C)cn4)cn3)ccc1-2
Cn1nc(c2ccsc2)cc1NC(=O)c1cc2c([nH]c1=O)CCCCC2
CC([NH3+])CC(=O)OCc1cccc(Cl)c1
CCN(CCCNC(=O)C1CCC([NH3+])CC1)S(C)(=O)=O
CC1(C)CCCC2(C)C1CCC1(C)c3ccc(O)cc3S(=O)(=O)CC12
Cc1ccc(=O)n(CCC(N)=S)n1
C=CCOc1c(CC)cccc1OC
CSc1nc(N)cc(NCCc2ccc(Br)s2)n1
O=C(CC1CCOC1)NCc1nc(C(=O)[O-])cs1
C[NH2+]C(c1cc(Cl)c(Br)s1)c1ccc(F)cc1Br
COc1cccc2c(C3CCCC3)c(N)ccc12
CC(CO)[NH2+]CCNCCNCCNCCNCC[NH3+]
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCOc1ccc(Cl)c(C)c1
c1ccc(CCNc2ccnc(Nc3ccc4cn[nH]c4c3)n2)nc1
CCN(CC)C(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N(C)C
Cc1ccc(C(=O)CCC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1C
COC(=O)C1CC1c1ccc(OCc2cccnc2SCC2CC2)c(F)c1
Cn1ncc2c(SCc3ccccc3OC(F)F)ncnc21
O=C(OC(CO[N+](=O)[O-])CO[N+](=O)[O-])N1CCC(c2ccc(F)cc2)C(COc2ccc3c(c2)OCO3)C1
CCNC(NCC(c1cccc(OC)c1)[NH+](C)C)=[NH+]Cc1ccc(OC)cc1
CC(C)CCC1(NC(=O)NC(C)(C)C)C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)c2ccccc21
Nc1cccc(N)c1C(c1ccco1)c1ccco1
Cc1cc[n+](Cc2cccc(C(N)=S)c2)cc1
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1
Cc1cc(F)ccc1C[NH2+]C1CCCC(C)C1C
COc1ccc(OC(=S)c2ccnc(Cl)c2)cc1
CN(Cc1ccccn1)c1cc(Br)ccc1CCl
Cc1cc(=O)c(C(=O)N(CCC[NH3+])C2CCCC2)c[nH]1
COc1ccc(N(CCSC(C)=O)Cc2c(C)cncc2I)cc1OC1CCCC1
COc1ccc(Cl)cc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1
CCOC(=O)CCC[NH2+]Cc1c(CO)cnc(C)c1O
Cc1c(CC(=O)[O-])n(C)nc1c1ccncc1
Cc1cccc(C)c1Nc1c(CCc2ccccc2)nc2c(C(=O)NC3CCC([NH3+])CC3)cccn12
O=C(C=Cc1ccc(Oc2cccnc2)c(F)c1)NCCSc1ccccc1
CCC1(ON(Cc2[nH]c(c3ccc(Br)cc3)c[nH+]2)C(=O)CNC(=O)OC)CCC1
Cc1nc(NC(=O)c2cc(NN)ccn2)ccc1Br
CC(C)C(=O)c1cccc(c2ccccn2)n1
N#CC(=Cc1ccccc1)S(N)(=O)=O
CC1CN(S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)CC[NH2+]1
C=C(CCC1OC(OC)C2OC2C1O)COC(C)=O
CCOC(=O)N1Oc2c(C(c3ccccc3)c3ccccc3)cc(C(c3ccccc3)c3ccccc3)c(OC)c2N1C(=O)OCC
CSC(CO)C(C)NC(=O)c1c[nH]c2ccc(N)cc12
C=CC(=O)COCCCOC(=O)c1ccc(OC(=O)C=Cc2ccc(c3ccc(c4ccc(OC(=O)OCCCC)cc4)c(Cl)c3C=NN=c3sc4ccccc4n3C)cc2)cc1
NC(=O)C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1
O=P(c1ccccc1)(c1ccc(n2c3ccccc3c3ccccc32)cc1)c1cccnc1
Cc1noc(C)c1CSc1ncccc1C(=O)OCC(=O)c1cc(F)ccc1F
C=C1C2(CCC)CC1(CC)[n+]1cc3ccc(CCCCCCC)cc3cc1-c1ccccc12
O=C(Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(O)cc1
COc1ccc2nc(CC(C)C)c(C(C)C)cc2c1
Fc1ccccc1C1(c2noc(C[NH2+]CCN3CC[NH+](Cc4cccc(C(F)(F)F)c4)CC3)n2)CCCC1
CCNC(=O)C[NH2+]CC1(N(C)C)CCC1
CC(=O)c1ccc([N-]S(=O)(=O)c2cn[nH]c2N)cc1
O=c1c(c2ccc(F)cc2F)c(Cl)n2n1CCCC2