smiles
stringlengths 7
778
|
|---|
CN(C)c1nc(NN)nc(NCC(=O)NC2CC2)n1
|
CN1CCCc2c1ccc(CC1CCC[NH2+]C1)c2O
|
COc1ccc(S(=O)c2c(OC)ccc3ccccc23)c(C=Cc2ccc(F)cc2)c1OC
|
O=C(c1ccccc1)C1(O)C(O)C(O)C(O)C2(O)C3(CCCCC3)C12O
|
CC(=O)Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C(=O)[O-])cc1
|
[NH3+]CC1C(=O)Nc2ccc(Br)cc21
|
COC(c1nc(C(=O)[O-])c(C)s1)C(C)C
|
COc1ccc(c2noc(Cc3nc(c4ccc5c(c4)OCO5)cs3)n2)cc1
|
O=C(Nc1ccc(N2CCOCC2=O)cc1)C1C(O)C(O)CN1C(=O)Nc1ccc(Cl)cc1
|
COc1cc(S(=O)(=O)Cl)c(CCl)cc1C#N
|
O=[N+]([O-])c1ccccc1Oc1ccc(C(=C(Cl)Cl)c2ccc(Oc3ccccc3[N+](=O)[O-])cc2)cc1
|
O=C(CNc1ccc2c(c1)OCO2)NCc1ccco1
|
COc1cccc(CN(C)C(=O)CSc2c(C)c(C)cc(C)c2C)c1
|
COc1cc(C2=C(O)C(=O)N(c3ccc(C)cc3C)C2c2cc(Cl)c(OC)c(OC)c2)ccc1OCC(C)C
|
CC(C)Sc1cccc(C(F)C=O)c1
|
COCC1=CC[NH+](CCCC(C)[NH3+])CC1
|
O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(n2cccn2)nc1
|
O=C(NC1CSSC1)C(=O)c1c[nH]c2ccccc12
|
CN(Cc1cn(c2ccccc2)nc1c1cccs1)C(=O)c1ccc(=O)[nH]n1
|
CCOC(=O)N1CCN(c2c(C=C3SC(=S)N(CCOC)C3=O)c(=O)n(CC)c3ccccc23)CC1
|
CCOC(=O)CN(CC)C(=O)Cc1ccccc1Cl
|
CCc1noc(C2CCCN2C(=O)c2ccc(c3cccc(F)c3)nc2)n1
|
CC(C)[NH2+]C1(C2OC(C)C(O)C2O)N=c2cc(Cl)c(Cl)cc2=N1
|
C=CCOC(C)C(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1
|
CCC[NH2+]C(CC)c1ccccc1n1ccc(C)n1
|
CC(C)(C)c1ccc(NC(=O)CN=[N+]=[N-])cc1
|
O=C(NCC1(CCO)CC1)c1ccc(F)cc1Cl
|
Cn1c(N2CCOC(C(=O)c3ccc4c(c3)OCO4)C2)nc(c2ccncc2)cc1=O
|
O=C(CC1CCc2nnc(C3CCCC3)n2CC1)NCC[NH+]1CCCC1
|
NC(=[NH2+])c1ccc(N2CCC[NH+](CCO)CC2)c(Cl)c1
|
CC1CC(CNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC[NH2+]1
|
CC(=O)N1c2ccc(NC(=O)c3cc(Br)cc(Br)c3)cc2C(C)(c2ccccc2)CC1(C)C
|
COc1cc(OCC(=O)[O-])ccc1C=CC(=O)c1cccc(OCC[NH3+])c1
|
CC(C)(C)C1CCCCC1([NH3+])c1ccc(F)cc1
|
COc1ccc(OC)c(NC(=O)COc2ccccc2C(C)=O)c1
|
C[NH+](C)CCCc1nc(N)n[nH]1
|
O=C(C(c1ccccc1)c1ccccc1)N1CCC(Cn2cccn2)CC1
|
Cc1ccc(CC(C)n2c(=S)[nH]c3cc(F)c(Br)cc32)s1
|
CCn1c(=O)n(CC(=O)Nc2ccc(NCC3CCCC3)cc2)c2ccccc21
|
O=C([O-])C1CCC[NH+]1Cc1ccc(Cl)cc1Cl
|
O=C([O-])c1ccc(Nc2nc(N3CCCCC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1F
|
CCCNc1nccc(NC2(CC)CCC2)n1
|
CC(CC(N)=O)[NH2+]Cc1ccccc1N
|
Brc1ccc2ccn(CC[NH2+]Cc3cccs3)c2c1
|
CCOc1cccc2c1nc(N)n2CCC1CCC1
|
CCC(C)(Oc1ccc(C(C)(C)C)cc1)P=O
|
Cc1ccc(Oc2cc(F)cc(F)c2)c(C(=O)[O-])c1
|
Cc1cc(Oc2ccccn2)c(C)cc1OCc1c(C)cccc1n1nnn(C)c1=O
|
Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(O)c1
|
CCCN(c1nccc(C)c1C[NH3+])C1CC1
|
O=C1CCC(C(=O)N2CCCN(C(=O)c3c[nH]c4ccccc34)CC2)=NN1
|
CC1CC(C(=O)Nc2ccccc2CC(=O)[O-])CC(C)(C)C1
|
O=C(CCCCC(=O)C1CCCCC1)C1CCCCC1
|
Cc1cc(Cl)c(NC(=O)C2CCCC2C[NH3+])cc1Cl
|
CCOP(CC)c1cc(c2ccc(c3cccs3)s2)sc1c1sc(c2ccc(c3cccs3)s2)cc1P(=O)(OCC)OCC
|
CC(=O)OC1C(OC(C)=O)C2COC3=S(CC(C)(C)CC(C)(C)C)C(C1OC(C)=O)N32
|
CCCCC(=O)N1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CC1
|
COc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1F
|
C#Cc1cc(OCC(=O)Nc2ccccc2)ccc1Cl
|
CCCCCCCCCCCCOC(=O)CCCCCCCCCCCCSP(OCCCCCCCCCCCC)OCCCCCCCCCCCC
|
CCOc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NC(C)C)c3c2)cc1
|
COCCCn1c(C)cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc12
|
CCC(C)(C)CN(CC(=O)c1c(Cl)cncc1Cl)C(=O)c1cnn(C2CCC(C)(C(=O)[O-])CC2)c1C(F)(F)F
|
OC[NH2+]C1CCCCCCCCCC1
|
CC(CCC[NH+](C)CCNc1cc[nH+]c2cc(Cl)ccc12)Nc1cc[nH+]c2cc(Cl)ccc12
|
CC(=O)c1cccc(OCC(=O)Nc2ccnn2Cc2cccc3ccccc23)c1
|
Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Nc1nnc(c2cccc(Cl)c2)s1
|
CCN(C(=O)OC(C)(C)C)C1(C(=O)[O-])CCCS(=O)(=O)C1
|
COc1ccccc1n1c2c(cc1c1ccc(C)cc1)C(=O)CC(C)(C)C2
|
NC(=O)C1=CCN(C(=O)c2ccccc2)C=C1
|
Cc1noc(CC(=O)C2CC2)n1
|
O=C(NNC(=S)Nc1ccccc1)c1ccc(c2cc(Cl)ccc2Cl)o1
|
CCN(C)c1noc(N)c1C(=O)OC
|
CC(CC(F)(F)F)NS(=O)(=O)c1cc(C[NH3+])c(Cl)cc1Cl
|
Cc1cnc(C(=O)C2CC2)cn1
|
O=C([O-])CCCC[NH+](CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)C1CCCCc2cc(C(=O)[O-])ccc21
|
COc1ccc(C[NH+](Cc2cccs2)C(C)C)cc1N
|
CC(C)(C)CC(C[NH3+])C(=O)Nc1cc(F)cc(F)c1F
|
Ic1c(COCC2CO2)c(I)c(COCC2CO2)c(I)c1COCC1CO1
|
CCCCCC(=O)C=CC1C(OC2CCCCO2)CC(OC(C)=O)C1CCCCCCC(=O)OC
|
C[NH2+]C1CC2(CSC(C)C2)Oc2ccc(C)cc21
|
O=C(CC1CC1)NCC1CC[NH+](C2CCOC2)CC1
|
CCCCCCCCCCCC(C)(O)N1C=[NH+]CC1
|
Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)ccc1Br
|
COc1cccc(C2CN(C(=O)c3ccnn3C)C3CCC[NH2+]C23)c1
|
COC1=NC(C)(c2cc(Br)ccc2F)Cn2cnc(C)c21
|
Cc1ccc(SCC(=O)NC(CC(C)C)c2ccccc2)nc1
|
O=C(Nc1cccc2c1CCN2)OCC[NH+]1CCC(C(=O)c2ccc(I)cc2)CC1
|
CCCn1ncc(NC(C)C2CC3CCC2C3)c(Br)c1=O
|
CC1OC1(Cn1cncn1)c1ccc(F)c(F)c1
|
COC1(C([NH3+])Cc2c(F)cccc2F)CCCCCC1
|
CCN(C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)cc1)c1ccccc1
|
F[Se](F)=NC(F)(F)F
|
Cc1ccccc1OCCOCC[NH2+]Cc1ccccc1
|
COc1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)nc2)c1
|
CCc1cc(CC([NH3+])C(=O)NC)ccc1OC
|
CC(CN1CC[NH2+]CC1)C(=O)N(C)C1CCCCC1
|
COc1cc(C#N)ccc1OCC(=O)N(Cc1ccccc1)C1CC1
|
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCCS(C)(=O)=O)cc1
|
COc1ccc(C)cc1N1CC(C(=O)OCC#N)CC1=O
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.