smiles
stringlengths 7
778
|
|---|
CC[NH2+]C(Cc1ccc(F)cc1C)c1cnc(C)s1
|
CCOC(=O)c1ccc(N[O-])cc1Cc1ccccc1
|
CCOC(=O)CNC(=O)CN(CC(=O)OC(C)(C)C)C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)CNC(=O)OCc1ccccc1
|
CC(=O)NC(C[NH2+]Cc1cc(F)ccc1F)C(=O)[O-]
|
N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC(c1ccc(Br)cc1)SC2c1ccc(Br)cc1
|
CCCCn1nc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1=O
|
Nc1ccc2c(c1)CCC2n1cncc1C1CCCCC1
|
Cc1c(Br)cccc1C(=O)NC(C)(C)C(C)Cl
|
CC1=C(C=Cc2ccc([O-])c3c2CC2CC4C([NH+](C)C)C(=O)C(C(N)=O)C(=O)C4(O)C(=O)C2C3=O)CC=C1
|
CCn1ncc(c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4cn(c5ccccc5)nc4c4ccccc4)c32)c1C
|
CCCn1nc(C)c2c(C(=O)OC)cc(c3cccs3)nc21
|
Cc1nccc(c2ccc(n3cccn3)c(N)c2)n1
|
O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCc1ccc2c(c1)OCO2
|
COP(=O)(Cc1c2ccccc2cc2ccccc12)OC
|
Cc1cc(F)c(Nc2nc(N)cn3ccnc23)cc1F
|
CC[NH2+]C(C)(c1nc(C(C)(C)C)cs1)C(C)CC
|
CC(C)OC(=O)CNPOc1ccccc1
|
Cc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccccc4C)ccc3Cl)CC2)ccc1NC(=O)Cc1ccc(F)cc1
|
COc1ccc(n2c(SCC(=O)[O-])nc3sc4c(c3c2=O)CC[NH+](Cc2ccccc2)C4)cc1
|
CC1CCC[NH+](CCCCNC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1
|
CC(=O)C([NH3+])c1cc(F)c(F)cc1Cl
|
COc1ccc(S(=O)(=O)NCCN(C(C)(C)C)S(C)(=O)=O)c(C)c1
|
CC(=O)OCC(C)(C)[NH2+]CCc1ccccc1
|
CCc1ccccc1NC(=S)Nc1c(C(C)C)cccc1C(C)C
|
CC(=O)OCC1C(O)C(O)C(CCCCCCC2OC(C)(C)OC2C2CCCCN2C(C)=O)N1C(C)=O
|
CN1CC[NH+](CCCCOC2CC3CCCCN3N2)CC1
|
Fc1ccc(c2cncc(C[NH2+]CCOc3ccc4cccnc4c3)c2)cc1
|
CNc1nc(c2cnn(c3ccccc3)c2)nc(C)c1I
|
C[NH+]=C(NCC1CCCOC1c1ccc(C)cc1)NC1C[NH+](C(C)C)CC1C
|
O=[N+]([O-])c1ccccc1Cn1cnc(c2ccccc2)n1
|
CC[NH2+]C1CCC(C)(C)CC1N(CC)CC(F)(F)F
|
NC(=O)Cc1ccncc1[N+](=O)[O-]
|
C[NH2+]C(c1cccc(OC(C)C)c1)C(C)C1CC1
|
CC1CC(C[NH3+])(N2CCC(C[NH+]3CCCC3)CC2)C1
|
CCCCCCCCCCCCCCCCCCCC1N(CCCCC)C=C[NH+]1CCCCCCCCCCCCCCCCC
|
O=C([O-])c1ccccc1CCc1ccc(Cl)cc1
|
C[NH+](C)C1CCN(CCCCCCO)C1
|
CCN(CC)C(=O)c1ccc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N(CC)CC)ccc3C)CC2)c(C)c1
|
C1=CC(=[Si]Cc2ccccc2)C=C1C1C=Cc2ccccc21
|
COCCC1CCCCN1C(=O)c1csc2[nH+]c(c3ccccc3)cn12
|
COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)CCCOc3ccc(F)cc3F)CC2)c1
|
CC(C)CC(NC(=O)c1ccc(c2ccc(C(C)[NH+]3CCOCC3)s2)cc1)C(=O)N1CC(F)C2OCC(=O)C21
|
Cc1ccc(Sc2nc(C)nc(Nc3ncc(CC(=O)Nc4ccccc4)s3)n2)cc1
|
CC(O)C(NC(=O)C([NH3+])CCC(N)=O)C(=O)NC(CCCC[NH3+])C(=O)NCC(=O)[O-]
|
COc1cc(OC)c(OC)c(C2CC(C(=O)[O-])C[NH2+]2)c1
|
C[NH+]=C(NCCc1ccc2c(c1)OCO2)NCc1ncnn1C
|
COc1ccc2c(c1)c(CC(=O)N(O)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1
|
C=C(Cl)C[NH2+]C1CC(c2ccc(C)cc2)C1
|
OCC1(Oc2c(Br)cccc2Br)CC1
|
C=C(C=C(C=C1CCOC1)N(C(=O)n1nnn(c2c(F)cccc2F)c1=O)C1CCCCC1)C(=O)[O-]
|
COc1ccc(C(=O)C(C)OC(=O)c2ccccc2OC)cc1
|
CCc1ccccc1NC(=O)CN(C)C(=O)C1CCN(C(=O)N(C)C)CC1
|
CCCCCCC(CCC)(OC)OC
|
O=C(NC1CCN2C(=O)N(c3cccc(F)c3)C(=O)C2C1)c1ccnc(Cl)c1
|
CCCCCC(C=CCOC(=N)C(Cl)(Cl)Cl)OCOC
|
CC1(C)CCC(C[NH3+])(NCC(F)F)CC1
|
CC1CN(c2ccccc2)CCC1=O
|
CC(=O)C(NC(=O)C[NH+](C)C1CCCCC1O)C(C)C
|
CCOC(=O)C1C[NH2+]CCN1Cc1c(Cl)cccc1Cl
|
[NH3+]C(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1F
|
COC(=O)c1c(NC(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])sc2c1CCCC2
|
CC(C)(C)[Sn](Cl)(c1ccccc1)c1ccccc1
|
CCC(C(=O)C1CCc2ncc3c(=O)n(c4ccccn4)n(C)c3c2C=N1)C(C)C
|
C[NH+]=C(NCc1nc(c2ccco2)n[nH]1)N(C)Cc1ccccc1Cl
|
O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N(Cc1cccc(F)c1)CC1CCCO1
|
CSc1cccc(NC(=O)CCOc2ccccc2F)c1
|
CCN1C(=CC=CC=CC=c2sc(=C(C#N)C#N)nc2c2ccccc2)Sc2ccccc21
|
Cc1cc(C[NH2+]C2C(F)CC3C(=O)C(C(=O)NCCC4CCC[NH+]4C)=C[NH+]4C5CC6CCCCC6CC5OC2C34)no1
|
O=C([O-])C1(CC2Cc3cc(F)ccc3O2)CCCS1
|
COc1ccc(CC[NH+]2CCC(OCC(C)C)CC2)cc1
|
Cc1c(Cl)c(Cl)c(C)c(C(=O)[O-])c1C(=O)[O-]
|
CCN(CC)C(=O)c1ccc(NC(=O)C([NH3+])c2ccc(C)cc2)cc1
|
O=P([O-])([O-])Cc1ccc(CP(=O)([O-])[O-])c2ccccc12
|
CN(CC[NH+](C)C)c1cc(c2ccccc2COc2ccc(NC(=O)NCc3cccnc3)cc2)ccn1
|
Cn1ccnc1Cc1cncc(C=O)c1
|
C=CCOc1c(Br)cc(Br)cc1C=NNC(=O)c1ccc(OCc2ccccc2)c(OC)c1
|
CCn1nncc1C(CCCc1cccs1)[NH2+]C
|
CC([NH2+]Cc1ccc(Oc2nnnn2c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2
|
Cn1nc(N)cc1C[NH+]1CCOCC1
|
O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccnc(N2CCCC2)n1
|
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2CC(O)COc1ccc(Cl)cc1
|
C[NH+]=C(NCCc1ccc2c(c1)OCO2)NCc1cccc(c2ccccn2)c1
|
CC(C(=O)O)N(C)C(=O)Nc1ccc([N+](=O)O)cc1
|
O=c1[nH]ccn1CCC1=CCCCC1
|
C=CC(C)(O)CC(=O)N1CCc2nnc(N3CC[NH+](C)CC3)cc2C1
|
CCCCCN(C)S(=O)(=O)c1cccc(N)c1[N+](=O)[O-]
|
CC(Nc1cc(F)c(S(=O)(=O)Nc2cnccn2)cc1Cl)c1cc(Cl)ccc1F
|
CC(=O)c1sc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)s2)nc1c1ccccc1
|
CCCN(CC(=O)OC)C(=O)COC1(C)C[NH2+]C1
|
COc1ccc(C(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1
|
Cc1cc(C)c(c2ccn([B-](n3ccc(c4c(C)cc(C)cc4C)n3)n3ccc(c4c(C)cc(C)cc4C)n3)n2)c(C)c1
|
CC1OC(COCc2ccccc2)C(OC2OC(COCc3ccccc3)C(OC3OC(COC4OC(COC5OC(COCc6ccccc6)C(OCc6ccccc6)C(OCc6ccccc6)C5O)C(OCc5ccccc5)C(OC5OC(COCc6ccccc6)C(OCc6ccccc6)C(OCc6ccccc6)C5O)C4OCc4ccccc4)C(OCc4ccccc4)C(OC4OC(COCc5ccccc5)C(OCc5ccccc5)C(OCc5ccccc5)C4OC4OC(COCc5ccccc5)C(OCc5ccccc5)C(OCc5ccccc5)C4O)C3OCc3ccccc3)C(OCc3ccccc3)C2NS(=O)(=O)c2ccccc2)C(OCc2ccccc2)C1NS(=O)(=O)c1ccccc1
|
COc1cccc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1
|
Cc1ccccc1NC(=O)C1(c2ccccc2)CCOCC1
|
COc1cccc2c1CCC1C2CCN1C(=O)CCC1CCCC1
|
Cc1ccc(F)cc1C[NH2+]C1CCOC1C
|
N#CCCc1[nH]nc2c(F)cccc12
|
NC(=[NH2+])SCC[NH+]1CCOCC1
|
N#CC(c1ccc(Cl)cc1)N1CCC(=O)CC1
|
CCOC(=O)c1ccc(CC[NH+](C)CCCC(C#N)(c2ccc(OC)c(CO)c2)C(C)C)cc1
|
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