smiles
stringlengths 7
778
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|---|
OC1CC([NH2+]CC2CCC=CO2)C1
|
CCC1(O)CCC(C2(C)CCC3(C2)OC2(C=CC3O)CC(C(C)C(=O)C(C)C(O)C(C)C3OC(C(C)C(C)C)CCC3C)C(C)CC2C)OC1C
|
C[NH+](C)Cc1ccccc1NC(=O)Oc1ccccc1
|
COc1ccc(CN(CCC=O)C(=O)OC(C)(C)C)c(OC)c1
|
CC1(C)CN(S(=O)(=O)c2cc(CO)n(C3CC3)c2)CCO1
|
O=C(NCC1CCCC(O)C1)C1SCCc2ccccc21
|
C=C([NH3+])NN=C(C)c1ccc2[nH]c(C(=O)Nc3ccc4ncccc4c3)cc2c1
|
CCOc1ccc(NC(=O)CN2CCCN(Cc3ccc(F)cc3)S2(=O)=O)cc1
|
Nc1ncccc1c1ccccc1OC(F)(F)F
|
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCCC3c3ccncc3)cc12
|
CCOC(=O)NC(c1ccccc1)C(C)C(=CO[Si](C)(C)C(C)(C)C)SC
|
CC(=O)c1ccc(C2(NC(=O)c3c(C(F)(F)F)nn(C)c3Oc3cccc(C(F)(F)F)c3)CC2)cc1
|
O=C([O-])N1CCC(c2cnc3nc(c4ccc(OCc5ccccc5)cc4)[nH]c3c2)CC1
|
Cc1occc1C(=O)N1CCC2(CC1)CC(Oc1ncccn1)CCO2
|
COC1(C(=O)c2cncc(C)c2)CCOCC1
|
CC1(c2noc(COc3ccccc3)n2)CCCN(C(=O)c2ccccn2)C1
|
O=C(n1c2ccccc2c2ccncc21)C(F)(F)C(F)(F)C(F)(F)F
|
CCOC(=O)C=CC1(CC(=O)OC)CCC(C=CC(=O)OCC)(CC(=O)OC)OO1
|
CCOC1(c2noc(CC(C)CC#N)n2)CCCCCC1
|
Cc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2C)c2cccc(Br)c2)cc1
|
C[NH+]=C(NCCc1cccs1)NCC1([NH+]2CCOCC2)CCCCC1
|
O=C1OC(C[NH+]2CCOCC2)C(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
|
CCOC(=O)C([NH2+]C(C)CC)c1sccc1Br
|
COc1ccc(C2C([NH3+])CC(=O)N2C(C)C)cc1C#N
|
CCn1c(C(=O)N2CCn3nc(C)nc3C2)cc2ccccc21
|
C[NH+]=C(NCCCn1nc2n(c1=O)CCCC2)N1CCN(c2ccccn2)CC1
|
Cc1cc(CC(=O)CBr)ccc1CCl
|
N#CC1(N)CCC2CCC1O2
|
Cc1cc(Oc2cccc(Br)c2)c(C(N)=[NH2+])c(C)n1
|
CN(C)c1ccc(c2[nH]c(=O)c3ccccc3[n+]2C)cc1
|
O=C(COc1cccc(Cl)c1Cl)N1CCN(C(=O)C2COc3ccccc3O2)CC1
|
CCC(Oc1ccc(F)c(C)c1)C(O)c1ccccc1
|
COc1cc(C(O)C(F)(F)C(=O)[O-])cc2c1OCO2
|
OCCCCCCCCCCCCCCCCCCCCCCC1CCCCC1
|
O=Cc1cc([S-])c(O)c2sccc12
|
Cc1cc(F)ccc1NCc1cccc(O)c1O
|
C[NH+]1C2C1C21Cc2ccc(CCNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1
|
CC([NH3+])CCCC(=O)NCC1(CO)CCCC1
|
Cc1ccc(C2CCCCCN2S(=O)(=O)c2ccccc2)s1
|
COCCC([NH3+])C(=O)NCCCCCCC(C)C
|
CCOc1cc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1
|
Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2ccc(C(=O)N(C)C)cc2C)CC1
|
CCCCCC(C)NC(NCc1nnc(C)n1C)=[NH+]Cc1ccc(OC)cc1
|
CC1(C)CC[NH+]1Cc1ccc(Br)o1
|
COCC(=O)N1CCCc2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc21
|
Cc1cncc(N2CCCC(C)CC2)n1
|
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2c2ccccc2)cc1
|
CCC1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O
|
CSCCNC(=O)c1cccn1C1CC[NH2+]CC1
|
COc1nc(OC(F)(F)F)c(CBr)cc1O
|
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(O)c([O-])c21
|
COc1ccc(C(=O)Nc2nnc(Cl)cc2Cl)cc1
|
COc1cc2cnoc2cc1C=O
|
CNC(=O)CNC(=O)CSc1nnc(SC)s1
|
Cc1ccc(C(O)c2cc3cccc(Cl)c3o2)nc1
|
CC(C)CN1CC(C)C[NH2+]CC1=O
|
C[NH+]1CC=C(C(C)(C)C)C=C1c1cc(C(C)(C)C)ccn1
|
CC1(C)CC(NC(=O)c2cn(CC(=O)[O-])nn2)CCO1
|
CCCN(CCC(=O)[O-])c1cc(C)ccc1C
|
O=C([O-])CN(Cc1cccc(F)c1)C(=O)CCn1c(C2CCCCC2)nc2ccccc21
|
O=C(Nc1cc(F)c(F)c(F)c1)c1cc(Br)c(Cl)cc1Cl
|
O=CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)nc2)CC1
|
COc1ccc(CCNC(=O)c2ccc(Nc3ccccc3)cn2)cc1
|
C=C(F)C(CC=CC1CCCC1CCCCC(O)C(O)(O)C(=O)OC)CCCC
|
CCCC(=CC(C)O)CCC
|
CC(Cl)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
|
CC[NH2+]C(COC)CN1CCCC(CC)CC1
|
CCn1nc(C)c(Br)c1CC(O)c1ccc(F)cc1Br
|
O=S(=O)(c1ccccc1)c1cnc2c(Cl)c(Cl)c(Cl)c(Cl)c2n1
|
CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cc(NC(=O)N3CCCC3)cc(C(=O)N3CC4CC3C(=O)O4)c2)ncc1Br
|
COC(=O)c1ccc2c(=O)c3c(ccc4ccc(c5cc6ccccc6c6c(=O)c7cc(C(=O)OC)ccc7oc56)cc43)oc2c1
|
CCCCC[NH+](C)CCCC(C)([NH2+]C1CC1)C(=O)OCC
|
Fc1ccc(C2CCCCO2)cc1
|
O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccc(CO)o2)CC1
|
CC[NH2+]Cc1ccccc1CN(C)c1ccc(CC)cc1
|
COc1ccc2cc(Cc3nnc(SCCc4n[nH]c(=S)o4)s3)ccc2c1
|
O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc(N3CCCC3)nn2)CC1
|
CCc1nc2c(C)ncnc2n1Cc1ccc(OCc2cccc(c3nn[n-]n3)c2Cl)cc1
|
O=C1c2cccc(NC(=O)[N+]3(c4cnccn4)C=C3)c2C2CC3(CCN12)SCCS3
|
N#Cc1c(F)cccc1N1CCCC(Br)C1=O
|
CONC(=O)NCC1CC(S)CN1C(=O)OCc1ccc(OC)cc1
|
CCNC(=O)CN(c1ccc(N=C(c2ccccc2)C2C(=O)Nc3cc(OCC)c(OCC)cc32)cc1)S(C)(=O)=O
|
COC(=O)Cc1cc(C)c(OC(F)(F)F)nc1OC
|
Cc1ccc(Nc2nc(N3CCCC(O)C3)cc(c3ccccn3)n2)cc1
|
CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)CC(=O)[O-]
|
CC(Oc1ccccc1C=C1SC(Nc2ccc(C(=O)[O-])c(O)c2)=[NH+]C1=O)C(=O)[O-]
|
O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(c2ccc(OCc3cccc(F)c3)cc2)n1
|
O=C([O-])c1ccc2ccccc2c1C(=C(c1ccccc1)c1c(C(=O)[O-])ccc2ccccc12)c1ccccc1
|
Cc1ccc(N2CC3C[NH2+]CC32)cn1
|
CC(c1ccccc1F)N(C)c1c(F)cc(C[NH3+])cc1F
|
O=S(=O)(NCC(c1ccccc1Cl)[NH+]1CCOCC1)c1cccs1
|
O=Cc1ccn(CCC(=O)[Se]c2ccccc2)c1
|
CCOC(=O)c1c(NC(=S)NNC(=O)C2CCN(S(C)(=O)=O)CC2)sc(C)c1c1ccccc1
|
CCCC(C)NC(=O)CN1C(=O)C[NH2+]Cc2ccccc21
|
COc1ccc(Br)cc1C(=O)C1CC2CCC1C2
|
COc1cc(Cl)c(C)cc1NC(=O)N1CCN(c2cc(C)ccc2C)CC1
|
Cc1ccnc(C(O)c2ccco2)c1
|
CC1=CC=CC(c2ccc3c(c2)=c2ccc4c5ccc6c7c(ccc(c8ccc=3c2c84)c57)c2c(c3ccccc3C)c3cc4c(cc3c(c3ccccc3C)c62)c2ccc(c3cccc(C)n3)c3cccc4c32)[NH2+]1
|
O=C(NNC(=O)C(Sc1ccccc1)c1ccccc1)C1CC1
|
CCCNC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(C(=O)Nc4ccc(F)cc4)cc3C)CC2)c1
|
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