smiles
stringlengths 7
778
|
|---|
CC(NC(=O)C1CCCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2
|
C[NH+](C)CCN(C(=O)CC(c1ccccc1)c1ccccc1)C1CCOCC1
|
C=CC1CN(Cc2ccccc2)c2[nH]c(N)nc(=O)c21
|
CCC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-]
|
CCOC(=O)c1[nH]ncc1C(=O)c1cccs1
|
Nc1cc(C(=O)NN=Cc2cccc3c2ccn3Cc2ccc(Cl)c(Cl)n2)ccc1O
|
CC[NH+](CC)C(=C[Si](C)(C)C)c1ccccc1
|
Cc1ccc(NC(=O)C(F)(F)C(F)F)c([N+](=O)[O-])c1
|
O=S(=O)(Oc1ccn(c2ccccc2)n1)C(F)(F)F
|
CCCCNS(=O)(=O)CCCCl
|
CNc1ncnc(N2CC[NH+](C(C)(C)C)CC2)c1Br
|
CCOC(=O)COC1C(C(=O)C(=[N+]=[N-])C(=O)OCC)OC2OC(C)(C)OC21
|
CC(C(=O)Nc1ccc(Cl)c(C(=O)N2CCCC2)c1)[NH+]1CCC(C(=O)Nc2ccccc2C(=O)Nc2cccc(F)c2)CC1
|
CCC(CC)(C(=O)N(C)Cc1cn[nH]c1)C(N)=[NH+]O
|
Cn1cccc1C(=O)Cn1cc(C(F)(F)F)ccc1=O
|
COc1cc2c(cc1N1CC[NH+](C)CC1)-c1c(c3cccs3)cc(C(=O)N(C)C(C)(C)C)n1CC2
|
Cc1ccc(Nc2cc(S(N)(=O)=O)ncc2C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1
|
C#CCNC(=O)C(C)Sc1nc2ccccc2c(=O)n1Cc1cccnc1
|
Cc1nn(Cc2nnc(Cl)s2)c(C)c1Cl
|
Cc1nc(N)nc(N2CC(C)C2(C)c2nn3ccc(Cl)c3c(=O)n2c2ccccc2)c1C#N
|
COc1c(C(C)=CC(=O)Nc2ccccc2SC)cc2c3c(oc2c1C)CCCC3
|
Cc1ccc(C(C)(C)C(=O)NC2CCCC2)cc1
|
O=C1CCC(CC[NH2+]Cc2ccccc2F)N1CCc1nc(c2ccccc2)n[nH]1
|
O=C(NN=Cc1ccc(c2ccccc2)cc1)c1cc(c2cccnc2)nc2ccccc12
|
O=C([O-])C1CN(C(=O)C=Cc2cnn(c3ccccc3)c2)CCO1
|
CC12CC3c4ccccc4OCCCOc4ccccc4C4CC5(C)OC4(C(=O)OCCOC(=O)C3(O1)C(=O)C2(C)C)C(=O)C5(C)C
|
CC(C)C(NC(=O)COc1ccccc1)C(=O)NCC(=O)NC1CC1
|
COC(=O)Cc1ncc(C)c(C)n1
|
COc1nccc(C(N)=O)n1
|
CCCCN(CCCC)c1ccc(C[NH2+]C)cc1
|
CCCNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
|
O=[N+]([O-])c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)nc1
|
COc1ccc(C(=O)NC2CC(Oc3cccc(F)c3)C(O)C2[NH+](C)C)cc1
|
CC(C)(C)c1cc(=O)nc(Cc2cccc(Cl)c2F)[nH]1
|
Cc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1
|
O=C([O-])CCc1cn(c2cccc(Br)c2)nn1
|
[NH3+]CCCCCNc1ccc2nccnc2n1
|
CCCCOC(O)C1(O)CCCC1
|
CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SCCc3cn4cccnc4[nH+]3)C(C)C12
|
O=c1[nH]nc(N2CCOC(CO)C2)c(=O)[nH]1
|
c1ccc2ncc(c3ccc(c4c5ccccc5c(c5cc6ccccc6c6ccccc65)c5ccccc54)nc3)cc2c1
|
CCCC[NH+](CC)C1(C)N=CC(C)=C(Cl)N1
|
CCCC(C)CC(=O)c1ccoc1Cl
|
NC(=O)c1oc2c(F)cc(F)cc2c1NC(=O)c1ccc(Cl)cc1
|
C[NH2+]C(C=C(C)C)c1c(C)oc(C)c1C
|
O=C(NCCCCC1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1)C1Cc2c[nH+]ccc2N1
|
NNC(=O)c1coc(C[NH+]2CCC(OCCO)CC2)c1
|
CC12CCC(=O)CC1=CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCCO[N+](=O)[O-]
|
CC(CC1(c2nn[n-]n2)c2ccc(C(=O)N(C)C)cc2Cc2cc(C(=O)N(C)C)ccc21)[NH2+]CC(=O)N1C(C#N)CC2CC21
|
COc1ccc(C(=O)OC(C2CCCCCC2=O)C(C)(C)C)cc1
|
O=C(N=Nc1c(O)[nH]c2ccccc12)c1ccc(COc2ccc(Cl)cc2)cc1
|
COc1ccccc1c1cnc(Cn2ccc(C(F)(F)F)n2)o1
|
N#Cc1ncc(N2C(=O)CCCN(c3ccc(F)c(C(=O)NCC[NH+]4CCCC4)c3)C2=S)cc1C(F)(F)F
|
Cc1c(O)sc2cccc(CBr)c12
|
Cn1ncc(C(Br)c2ccc(Cl)s2)c1I
|
CN(C1CC2CCC(C1)[NH2+]2)S(=O)(=O)c1ccc(C#N)cc1Cl
|
O=C(NC1CC(F)(F)C1)C(c1ccccc1Cl)N(C(=O)C1CCC(=O)N1c1ccccc1)c1cccc(F)c1
|
CC(=O)NC1CCC[NH+](Cc2ccnc(C)n2)C1Cc1ccccc1
|
COc1cc(Cn2nc(C(=O)[O-])c(C#N)c2N)cc(OC)c1OC
|
CCC(C)N(CCOC)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
|
N#Cc1ccc(S(=O)(=O)N2CCCC2C(=O)[O-])cc1
|
COc1ccc(OC)c(C[NH+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC(C)C)co2)c1
|
Cc1ccc(C(=O)NCCNC(=O)NC2CC2)cc1F
|
CC1CN(C(=O)C(C)(C)c2cccc(Cl)c2)CCC1C(=O)[O-]
|
COC(=O)CCN(CC[NH+]1CCOCC1)C(=O)c1ccccc1Cl
|
CC(=O)Nc1ccn(C2COC(COCc3ccccc3)O2)c(=O)n1
|
CCOC1CC(N2C(=O)[N-]C(=O)C2=O)C1
|
CCC([NH3+])(c1cccc(F)c1)c1cccc(F)c1F
|
CCCN(CCC)c1ccc(C#N)nc1
|
CCCC(C[NH3+])N1CCn2c(nnc2C(F)(F)F)C1
|
NC(=O)CCC([NH3+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CS)C(=O)NC(Cc1ccccc1)C(=O)[O-]
|
Cc1ccc(C(C#N)NCCCO)s1
|
CC(=O)c1cccc(Nc2cc(C)nc(Nc3ccc(N4CCCC4)cc3)n2)c1
|
CCCCCCCCC[NH+](CC)CCN(C)C
|
CCCCCCC1C(=O)OC1CC(CCCC)OC(=O)C(NC=O)C(C)C
|
C=CCCOc1ccc(OC(=O)C2CCC(c3ccc(c4ccc(OCCCC)cc4)c(F)c3F)CC2)cc1F
|
[NH3+]C1CCCC1C(=O)N1CCC2(CCCCC2)C1
|
COc1ccccc1CCC(=O)OCC(=O)NC1CCCCC1C
|
O=C(Nc1nccs1)C1CCCN1C(=O)COc1ccc(c2ccccc2)cc1Cl
|
COc1ccc(NC(=O)CSc2nnc3n2CCN3c2ccc(F)cc2)c(OC)c1
|
O=C(Nc1nccs1)N1CCC2CCCC21
|
Cc1cc(N2CCc3c(F)cc(F)cc3C2)ncc1Br
|
COc1ccc(Br)c(C(=O)NCCSC)c1
|
CC[NH+]1CCN(c2cc(n3ncc(C(C)=O)c3C)nc(c3ccccc3)n2)CC1
|
NNc1ncccc1S(=O)(=O)Nc1ccc(Cl)cc1I
|
CCC(C[NH+]1CCC(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1nc2ccccc2o1
|
Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1
|
CC(C)c1cc(c2nnc(C(=O)NCCCCCSN)n2c2ccc(C[NH+]3CCOCC3)cc2)c(O)cc1O
|
Cc1c[n+]2c(cn1)C=C(c1ccccc1)O[B-]2(F)F
|
CC[N+]1(CC)C(=O)Nc2cc(N)c(N)cc21
|
CCCC(C)([NH3+])c1nc2cc(C)ccc2n1CC
|
CC(C)CC1CCCN(C(=O)CC2CC3CCC(C2)[NH2+]3)C1
|
Cc1cn2c([nH+]1)C(CNC(=O)C1CC(=O)N(c3ccc(Cl)cc3)C1)CCC2
|
C[NH+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)cc3)sc2C1
|
CCc1cnccc1C(=O)Nc1cc(C(F)(F)F)c(Cl)cc1[O-]
|
COC(=O)C([NH3+])CCSCc1ccncc1
|
CC1OC(C)C(C(=O)NCC2CCC(O)C2)C1C
|
CN(C)c1ccc2nc(c3ccc(N)c(F)c3)ccc2c1
|
CC(C)Cc1nc2nc3ccccc3[nH]c-2n1
|
COc1ccc(CCC(C)[NH2+]C(C)C2CCOCC2)cc1
|
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