smiles
stringlengths 7
778
|
|---|
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1
|
O=C(C=Cc1ccc(Cl)cc1Cl)c1ccc(Nc2cc(=O)oc3ccccc23)cc1
|
CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2nccnc2Cl)CC1
|
O=C1C(=O)c2ccccc2C2=C1OCCS2
|
CN(CC(=O)NC(C[NH+]1CCOCC1)c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
|
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2c2ccccc2)ccc1OC(=O)c1cccc(OC)c1
|
COc1cc(CNc2cccc(CCC(=O)[O-])c2)cc(Cl)c1OC
|
COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(Cc3ccccc3)C2=O)cc1OC
|
C=Cc1cc(P(=O)(OCC)OCC)ccc1OC(C)C
|
O=C([O-])C=Cc1ccc(OCC[NH+]2CCOCC2)cn1
|
O=C(OC(Cn1cncn1)c1ccccc1)c1ccn2cncc2c1
|
CC(C)C(CC(=O)[O-])NC(=O)CCc1ccccc1Cl
|
CC=C(CC)OCCC[NH+](C)C
|
CCOCC1C[NH+](CC2CCC2)Cc2ncn(C)c21
|
CC(C)(C)OC(=O)N1CCCN(c2cnc(Br)c(Cl)c2)CC1
|
Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cc(C(=O)NCC(C)C)ccc3Cl)CC2)cccc1C(=O)N1CCOCC1
|
Cc1cccc(n2c(SCc3c(C)noc3C)nnc2c2c[nH]c3ccccc32)c1
|
CCOC(=O)c1c(NC(=O)C=Cc2ccco2)scc1c1ccc(OCC)cc1
|
CCCCCCCCC1(CCCCCCCC)c2cc(c3ccc(OCC4(CC)COC4)cc3)ccc2-c2ccc(c3ccc(N(c4ccc(c5ccc(N(c6ccc(c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(c9ccc(OCC%10(CC)COC%10)cc9)ccc7-8)cc6)c6ccc(c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(c9ccc(N(c%10ccc(c%11ccc(N(c%12ccc(c%13ccc%14c(c%13)C(CCCCCCCC)(CCCCCCCC)c%13cc(c%15ccc(OCC%16(CC)COC%16)cc%15)ccc%13-%14)cc%12)c%12ccc(c%13ccc%14c(c%13)C(CCCCCCCC)(CCCCCCCC)c%13cc(c%15ccc(OCC%16(CC)COC%16)cc%15)ccc%13-%14)cc%12)cc%11)cc%10)c%10ccc(c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11cc(c%13ccc(OCC%14(CC)COC%14)cc%13)ccc%11-%12)cc%10)cc9)ccc7-8)cc6)cc5)cc4)c4ccc(c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(c7ccc(OCC8(CC)COC8)cc7)ccc5-6)cc4)cc3)cc21
|
CC1CCCCC1N(C)C(=O)C1Cc2ccccc2O1
|
CCCCCOc1ccc(C2C(=C([O-])c3cc(C)ccc3OC)C(=O)C(=O)N2c2cccc(OC)c2)cc1OC
|
NC(=S)C[NH+]1CCC(N2C(=O)C3CCC(C3)C2=O)CC1
|
CCCCCn1nc(C#N)cc1c1ccc(C)cc1
|
OCCCCCCCCC1CC1C1CC1
|
Cc1cc(Nc2cc(C3CCCCC3)nc3c(c4ccn(C)c4)cnn23)no1
|
O=C(C[NH+]1CCOCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
|
CCCC1C(O)C(O)C(=O)CC1(O)C(=O)[O-]
|
CC(C)(C)OC(=O)NC1Cc2c([nH]c3ccccc23)CN(C(CCCCNC(=O)OCc2ccccc2)C(=O)NCc2ccccc2)C1=O
|
CCc1c(C(=O)[O-])nnn1c1cc(Br)cc(C(F)(F)F)c1
|
O=S(=O)=C(C[NH2+]CCC1(c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Br)c4)c3c2)CC=CO1)c1ccccn1
|
[NH3+]CCCNc1cn[nH]c1Cc1cccc(Br)c1
|
C[NH+]=C(NCCc1coc(c2ccc(C)cc2)n1)NC1CCCCC1
|
Cc1[nH]c(SCC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)nc(=O)c1C
|
CC[NH2+]Cc1cccc(F)c1N(C)CC1CC[NH+](C)CC1
|
O=C(NC1(C(=O)NCc2ccc(Oc3ccc(O)cc3C(F)(F)F)cn2)CC1)c1ccnc(Cl)c1
|
[NH3+]C(C=O)C(C1CC1)N1CCn2c(nc(c3ccc(F)cc3)c2Nc2ccc(F)c(F)c2)C1
|
CC(C)(C)OCN(c1cc(C#N)ccn1)c1cc(C2CC2)cc(c2cncc(OCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2)n1
|
CC(CPc1ccccc1)CC(C)(C)C
|
COc1ccc(NC(=O)NCC2CCS(=O)(=O)C2)c(Cl)c1
|
C[NH2+]C(Cc1ccc(C(C)C)cc1)c1cncs1
|
CC(=O)C1C[N+]2(C)CC1c1cc([N+](=O)[O-])ccc1O2
|
CCOC(=O)CCCNC(=O)c1cn(c2ccc(F)cc2)nc1c1cccc(C)c1
|
CC(C)(C)n1cnnc1c1ccnc2ccccc21
|
N#Cc1cc(C2=C(C3CCCC3)CCC2=O)ccc1F
|
CCn1ccc2c3nc(c4ccc(NC(=O)Nc5ccc(C(=O)N6CC[NH+](C)CC6)cc5)cc4)nc(N4CCOCC4)c3ccc21
|
CSc1cccc(OCc2ccc(Br)cc2)c1C(N)=S
|
CNN(C)C(=O)c1ccc(C(=O)NN)cc1
|
CCN(CC)c1noc(N)n1
|
COC1C[NH+](Cc2nc(NN)ccc2Cl)CCC1C
|
COc1ccc(OC)c(C=CC(=O)c2ccc(C[NH+](C)C)cc2)c1
|
CNc1oc(c2ccc(OC)c(S(=O)(=O)N(C)C)c2)nc1C#N
|
CCc1cccc(C)c1NC(C)c1cccs1
|
Cc1nc(C(=O)NCC[NH+]2CCCC2)cs1
|
CC(C)(C)c1ccc(C(=O)CCn2c(=O)oc3ccccc32)cc1
|
CC(CO)C(C)[NH2+]Cc1c(F)cccc1F
|
OB(O)c1cc(C2CCCC2)cs1
|
Cc1ccccc1N1CCC(O)CC1=O
|
CCCN(CC(=O)N(C)C)c1ccc(F)cc1C#N
|
Cc1c(C(=O)NC2(CBr)CCC2)cccc1[N+](=O)[O-]
|
CCC1(c2ccn(C)n2)CCCCC[NH2+]1
|
C#CC1(O)CC2CC1C(C)C2(C)C
|
C[NH2+]Cc1cc(S(=O)(=O)NCCCn2ccnn2)c(Br)s1
|
CCCCCC(CC)(Pc1ccccc1CO)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCOC
|
CC(C)(C)OC(=O)NCC(=O)Nc1cccc(NC(=O)CC#N)c1
|
CN(C(=O)CNC(=O)c1ccccc1C(F)(F)F)C1CC2CCC(C1)[NH2+]2
|
COc1cc(C#N)ccc1Oc1ccc(CBr)c(Cl)c1
|
COCC1CCCCN1C(=O)c1cccc(N)c1
|
CCCCC12Oc3ccccc3C1=C1C(=C3c4ccccc4OC32CCCC)C(F)(F)C(F)(F)C1(F)F
|
O=C(c1csc(c2ccsc2)n1)N(C1CCCC1)C1CC1
|
CCCc1nnnn1c1cccc(CCC(=O)[O-])c1
|
CSc1ncc(c2ccc3ncc4c(=O)n(COP(=O)([O-])[O-])c(=O)n(c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1
|
[C-]#[N+]C(C)c1ccc(CC)cc1
|
Clc1ccc(c2nnc(SCc3ccccc3Cl)n2Cc2ccco2)cc1
|
C=CCOC(=O)[N-]C(=O)N(CCC(C)C)c1ccc(C(C)=NO)cc1
|
C[NH2+]CCCN(C)C(=O)c1ccc2c(c1)C(c1ccccc1F)=NCc1cnc(Nc3cccc(OC)c3)nc1-2
|
O=C(CCCc1ccc(Cl)cc1)OCCCNC(=O)c1cccs1
|
C=CCn1cnc2c(NCCC)nc(N3CCC(=O)CC3)nc21
|
O=C(NCc1ccccc1)c1ccc(NC(=O)C23CC4CC(CC(Br)(C4)C2)C3)cc1
|
Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3F)c(Br)c2)c(C)c1
|
COc1ccccc1c1cc(C(F)F)n2ncc(C(=O)NCc3c(C)nn(C)c3C)c2n1
|
CCS(F)(F)(F)(CC)Nc1ccccc1
|
CC1(C)CC[NH2+]CC1C(=O)[O-]
|
COC1(C(=O)[O-])SC=CC1[N+](=O)[O-]
|
COC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)c(Cl)c1
|
CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)C1CCCC1C[NH3+])OCCO3
|
CC1CN(C2=NC([NH+]3CCOCC3)C3C=CC[NH+]=C3N2c2cc[nH+]cc2)CC(C)O1
|
CCC[NH2+]C(CC)c1cccc(Oc2cccnc2)c1
|
Cc1ccccc1C[NH+](C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
|
FCC(F)Oc1ccccc1
|
CC(=Cc1ccc(Br)c([N+](=O)[O-])c1)CBr
|
CN(C(=O)CCCC[NH+](C)C)c1ccc(N=C(c2ccc(CCC(=O)[O-])cc2)C2C(=O)Nc3cc(Cl)ccc32)cc1
|
CCCC(=O)N1CCCC1C(=O)N1CCOC2(CCOC2)C1
|
CC(C)C1=CC(=NOC(=O)c2ccc([N+](=O)[O-])cc2)C(C)(Cl)C(Cl)(Cl)C1=O
|
CN(C)C(=O)C[NH+]1CCN(C(=O)CSc2ccc3ccccc3c2)CC1
|
CC1CCC[N+]1(C(=O)[O-])C(=O)OCc1ccccn1
|
CCCCCCCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2)cc1OC
|
CCCCCCCCCCCCCCCC[N+](C)(C)CCOC(C)Br
|
COc1ccc(C2C3CCCCC3(O)CC[NH+]2Cc2cccc(F)c2)cc1OC
|
CC(=O)N(CC(=O)Nc1c(C(C)C)cccc1C(C)C)c1cccc(F)c1
|
CC(=O)Nc1ccc(S(=O)(=O)N=P(O)(OCCCO)OCC(CCCC[NH3+])COP(O)(=NS(=O)(=O)c2ccc(C)cc2)OCC2OC(n3cc(C=CC(=O)NCC[NH3+])c(=O)[nH]c3=O)CC2OP(O)(=NS(=O)(=O)c2ccc(C)cc2)OCCCO)cc1
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.