Derify/augmented_canonical_pubchem_13m · Datasets at Hugging Face

smiles stringlengths 3 806	canonical_smiles stringlengths 3 806
CCc1cccc(NC(=O)N2CCn3nnc(COCc4cccnc4)c3C2)c1	CCc1cccc(NC(=O)N2CCn3nnc(COCc4cccnc4)c3C2)c1
CC(O)c1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3nc[nH]c3Cl)c2F)c1	CC(O)c1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3nc[nH]c3Cl)c2F)c1
CC1(C)OC2OC(COP(=O)(Sc3ccccc3)Sc3ccccc3)C3OC(C)(C)OC3C2O1	O=P(OCC1C2OC(C)(C)OC2C2C(O1)OC(C)(C)O2)(Sc1ccccc1)Sc1ccccc1
CC=CC(=O)OC1Cc2ccccc21	c1ccc2C(OC(C=CC)=O)Cc2c1
COC(=O)CCCN1C(=O)NC(C)(c2ccc3c(c2)CCC3)C1=O	COC(=O)CCCN1C(=O)NC(C)(c2ccc3c(c2)CCC3)C1=O
CCc1ccccc1C(O)c1cc(Cl)ccc1Cl	CCc1ccccc1C(O)c1cc(Cl)ccc1Cl
N#Cc1ncc(C(F)(F)F)cc1n1nnc(C(=O)c2ccccc2)c1c1ccccc1	N#Cc1ncc(C(F)(F)F)cc1-n1nnc(C(=O)c2ccccc2)c1-c1ccccc1
CC1(CNc2c(F)cc(C#N)cc2F)CC[NH2+]CC1	CC1(CNc2c(F)cc(C#N)cc2F)CC[NH2+]CC1
O=C([O-])CC1CC2CCC(C1)N2C(=O)C1CC=CCC1	O=C([O-])CC1CC2CCC(C1)N2C(=O)C1CC=CCC1
C[NH2+]C(C)Cc1onc2c(Cl)cccc12	[NH2+](C)C(C)Cc1c2c(c(ccc2)Cl)no1
COc1cnc(C([NH3+])c2cccc(Cl)c2)c(OC)n1	c1c(cc(C([NH3+])c2ncc(nc2OC)OC)cc1)Cl
C[NH+]=C(NCC1CCOc2ccccc21)NC1CC[NH+](Cc2ccccc2C)CC1	C[NH+]=C(NCC1CCOc2ccccc21)NC1CC[NH+](Cc2ccccc2C)CC1
CC(=O)CCC=C(C)CO[Si](C(C)C)(C(C)C)C(C)C	CC(=O)CCC=C(C)CO[Si](C(C)C)(C(C)C)C(C)C
CCc1ccc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)cc1	CCc1ccc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)cc1
O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCCC1CC1CCCCC1	O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCCC1CC1CCCCC1
CC(CN1CC(O)CC1=O)[NH+](C)C1CC1	C(C)([NH+](C)C1CC1)CN1C(=O)CC(O)C1
CC(C)[NH2+]CC(C(C)C)N(C)Cc1cccc(Br)c1	CC(C)[NH2+]CC(C(C)C)N(C)Cc1cccc(Br)c1
Cc1cc(Br)ccc1SCC(=O)OCC(=O)NC(=O)NCc1ccccc1	Cc1cc(Br)ccc1SCC(=O)OCC(=O)NC(=O)NCc1ccccc1
c1ccc2c(c1)sc1ccc(c3ccc4c(c3)c3ccccc3n4c3cccc(c4ccc5nc(c6cccc(n7c8ccccc8c8cc(c9ccc%10sc%11ccccc%11c%10c9)ccc87)c6)c(c6cccc(n7c8ccccc8c8cc(c9ccc%10sc%11ccccc%11c%10c9)ccc87)c6)nc5c4)c3)cc12	c12c(cccc2)sc2ccc(-c3ccc4c(c5c(n4-c4cc(ccc4)-c4nc6ccc(cc6nc4-c4cccc(-n6c7c(cc(-c8ccc9sc%10ccccc%10c9c8)cc7)c7ccccc76)c4)-c4cccc(c4)-n4c6c(cc(cc6)-c6cc7c(cc6)sc6ccccc76)c6c4cccc6)cccc5)c3)cc21
CC(=O)N1CCOc2ccc(NC(=O)c3cccc(N(C)C)c3)cc21	O1c2ccc(NC(=O)c3cccc(c3)N(C)C)cc2N(CC1)C(=O)C
Cn1nc(C(=O)Nc2ncccc2Cl)c2ccccc21	Cn1nc(C(=O)Nc2ncccc2Cl)c2ccccc21
CN1CCN(C[NH+]2CCN(C)C2)C1	CN1CCN(C[NH+]2CCN(C)C2)C1
COc1cc(C(=O)N2CC[NH2+]CC2C)ccc1C	COc1cc(C(=O)N2CC[NH2+]CC2C)ccc1C
Cc1ccccc1C(O)CNC(=O)c1cnc(C2CCCO2)s1	Cc1ccccc1C(O)CNC(=O)c1cnc(C2CCCO2)s1
COC(=O)CCc1cccc(N2CCN(c3ccc(C[NH3+])cc3)C2)c1	COC(=O)CCc1cccc(N2CCN(c3ccc(C[NH3+])cc3)C2)c1
Cc1c(C(=O)OCC(=O)N2CCN(c3ncccn3)CC2)oc2ccc(Cl)cc12	C(=O)(N1CCN(CC1)c1ncccn1)COC(=O)c1oc2c(cc(Cl)cc2)c1C
CCCC(C)NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1	CCCC(C)NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1
O=C(CN1C(=O)CC2(CCCCC2)C1=O)N1CCCC(c2nc3ccccc3s2)C1	O=C(CN1C(=O)CC2(CCCCC2)C1=O)N1CCCC(c2nc3ccccc3s2)C1
Cn1nc(c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)Nc1ccccc1)C2	Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)Nc1ccccc1)C2
CC(=O)OCC1OC(OC(C)=O)C(Nc2ccc3cc(I)c(=O)oc3c2)C(OC(C)=O)C1OC(C)=O	CC(=O)OCC1OC(OC(C)=O)C(Nc2ccc3cc(I)c(=O)oc3c2)C(OC(C)=O)C1OC(C)=O
CC(CNc1cc[nH+]c(C(N)=S)c1)c1ccccc1	S=C(N)c1[nH+]ccc(NCC(c2ccccc2)C)c1
Cn1c(C2CC2)c(N)c(=O)n1c1cccc(F)c1	Cn1c(C2CC2)c(N)c(=O)n1-c1cccc(F)c1
C[NH+](C)CCCn1ccc2c3ccn(Cc4ccc(F)cc4)c(=O)c3ccc21	C[NH+](C)CCCn1ccc2c3ccn(Cc4ccc(F)cc4)c(=O)c3ccc21
COc1ccc2c(c1)CN(C(=O)Cn1nc(c3ccc(F)cc3)nc1c1ccc(F)cc1)C(C)C2	COc1ccc2c(c1)CN(C(=O)Cn1nc(-c3ccc(F)cc3)nc1-c1ccc(F)cc1)C(C)C2
COc1ccc(C[NH+](C)CC2OCCCCC(C)Oc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N(C(C)CO)CC2C)cc1	COc1ccc(C[NH+](C)CC2OCCCCC(C)Oc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N(C(C)CO)CC2C)cc1
C=C(COC(=O)OCCCC)COC(=O)OCCCC	C=C(COC(=O)OCCCC)COC(=O)OCCCC
CNS(=O)(=O)c1ccccc1NC1CCCC1C(=O)[O-]	CNS(=O)(=O)c1ccccc1NC1CCCC1C(=O)[O-]
S=c1[nH]ncn1Cc1cccc2cccnc12	S=c1[nH]ncn1Cc1cccc2cccnc12
COc1ccc2cc(C([NH3+])c3sccc3C)ccc2c1	COc1ccc2cc(C([NH3+])c3sccc3C)ccc2c1
Cc1cccc(COCC2CCS(=O)(=O)C23CN(C(=O)C2CCC2)C3)n1	Cc1cccc(COCC2CCS(=O)(=O)C23CN(C(=O)C2CCC2)C3)n1
CCCCCc1cc(F)c(C(F)(F)Oc2ccc(c3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1	CCCCCc1cc(F)c(C(F)(F)Oc2ccc(-c3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1
CCCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2n2c(=O)n(CC(=O)N(C)c3ccc(F)cc3)nc12	C(NC(c1cc2c(cc1)c(=O)n(CCC)c1nn(CC(=O)N(c3ccc(F)cc3)C)c(=O)n21)=O)C(C)C
O=C(CSc1cccc[n+]1[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	O=C(CSc1cccc[n+]1[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1
[NH3+]C1CCCCC1Nc1ccc([N+](=O)[O-])cc1C(=O)[O-]	c1(c(ccc([N+]([O-])=O)c1)NC1CCCCC1[NH3+])C(=O)[O-]
O=Cc1ccc2cccc(OC(F)(F)F)c2c1	O(c1c2c(ccc(c2)C=O)ccc1)C(F)(F)F
CC(C)(C)NC(=O)N1CCC(CC(=O)[O-])C1	CC(C)(C)NC(=O)N1CCC(CC(=O)[O-])C1
COc1cccc(c2cc(C(C)=O)c(C(C)C)o2)c1	COc1cccc(-c2cc(C(C)=O)c(C(C)C)o2)c1
CC1(C)CC(=O)c2c(N)nc(NC3CCCC3)nc2C1	CC1(C)CC(=O)c2c(N)nc(NC3CCCC3)nc2C1
CC(C)(C)NC(=O)C(=O)[N-]C(=O)c1ccc(N)cc1	O=C([N-]C(C(NC(C)(C)C)=O)=O)c1ccc(N)cc1
O=C(Nc1cccnc1Cl)c1coc(c2ccc(Cl)c(Cl)c2)n1	Clc1c(cccn1)NC(c1nc(oc1)-c1cc(c(cc1)Cl)Cl)=O
CCOc1cc2c(cc1C(=O)NC)C(=[NH2+])N(CC(=O)c1cc(C[NH2+]CCC(=O)[O-])c(O)c(C(C)(C)C)c1)C2	CCOc1cc2c(cc1C(=O)NC)C(=[NH2+])N(CC(=O)c1cc(C[NH2+]CCC(=O)[O-])c(O)c(C(C)(C)C)c1)C2
CCOc1ccc(F)cc1C(CC)CC1OC1C	CCOc1ccc(F)cc1C(CC)CC1OC1C
[NH3+]CCOC(=O)I	O(CC[NH3+])C(I)=O
OC(CNc1cccc(Cl)c1Cl)c1ccc(F)cc1	OC(CNc1cccc(Cl)c1Cl)c1ccc(F)cc1
CCCC(C#N)C(=O)c1ccc(C)cc1F	CCCC(C#N)C(=O)c1ccc(C)cc1F
CCOC(=O)c1c[nH+]c(N)[nH]1	CCOC(=O)c1c[nH+]c(N)[nH]1
COC(=O)c1nc(NC(=O)Cc2ccc3c(c2)OCCCO3)sc1Cc1ccccc1	C(c1nc(sc1Cc1ccccc1)NC(Cc1ccc2c(c1)OCCCO2)=O)(OC)=O
O=C(NCCCn1cccn1)NC1CCCCC1	O=C(NCCCn1cccn1)NC1CCCCC1
CNC(=O)Oc1cc(OC)c(OC)c2ccc(Cl)cc12	CNC(=O)Oc1cc(OC)c(OC)c2ccc(Cl)cc12
O=C(C(CCSc1ccc(Cl)cc1)=NO)c1ccc(Sc2ccccc2)cc1	O=C(C(CCSc1ccc(Cl)cc1)=NO)c1ccc(Sc2ccccc2)cc1
c1ccc(c2ccc(N(c3cc4c5ccccc5n5c6ccccc6c(c3)c45)c3ccc4c5ccccc5n(c5ccccc5)c4c3)cc2)cc1	c1ccc(-c2ccc(N(c3cc4c5ccccc5n5c6ccccc6c(c3)c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
CCCNc1ccc(C(=O)NC2CC2)nn1	CCCNc1ccc(C(=O)NC2CC2)nn1
CC[NH+]1CCC(CNC(=O)CC(C)=O)C1	CC[NH+]1CCC(CNC(=O)CC(C)=O)C1
CC1(CCNc2ncccc2[N+](=O)[O-])OCCO1	c1([N+]([O-])=O)c(nccc1)NCCC1(OCCO1)C
CC1CC(C)C(C)N(C(C[NH2+]C(C)(C)C)C(C)C)C1	CC1CC(C)C(C)N(C(C[NH2+]C(C)(C)C)C(C)C)C1
O=C([O-])C1(CC(F)(F)c2ccccc2)CC1	O=C([O-])C1(CC(F)(F)c2ccccc2)CC1
O=Cc1ccc(OCCCOCCCOc2cc(Cl)c(Cl)cc2Cl)cc1	O=Cc1ccc(OCCCOCCCOc2cc(Cl)c(Cl)cc2Cl)cc1
CC(C)Oc1ccc(C(=O)NCCCn2cccn2)cc1	CC(C)Oc1ccc(C(=O)NCCCn2cccn2)cc1
CC1CC1CNC(=O)N1CCCC(N2CCCS2(=O)=O)C1	CC1CC1CNC(=O)N1CCCC(N2CCCS2(=O)=O)C1
COc1cccc(Cn2cc3c4c2C(=O)C([NH3+])=CC4[NH+](C)CC3)c1	COc1cccc(Cn2cc3c4c2C(=O)C([NH3+])=CC4[NH+](C)CC3)c1
O=C(c1ccc(Cl)c(F)c1)c1cccc2ccncc12	O=C(c1ccc(Cl)c(F)c1)c1cccc2ccncc12
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)c(C)c2)cc1C	Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)c(C)c2)cc1C
Cc1sc2nc(C[NH+]3CCN(c4nc5ccccn5c(=O)c4[N+](=O)[O-])CC3)[nH]c(=O)c2c1C	Cc1sc2nc(C[NH+]3CCN(c4nc5ccccn5c(=O)c4[N+](=O)[O-])CC3)[nH]c(=O)c2c1C
CCCCCCCCCCCCCCCC(=O)OCCC1(O)CCC(=O)CC1	C1(=O)CCC(O)(CC1)CCOC(CCCCCCCCCCCCCCC)=O
CN(C)C(=S)NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2	CN(C)C(=S)NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
CC[NH+](CC)CCn1c(=O)c2c(nc1c1ccc(C)cc1)scc2c1cccs1	CC[NH+](CC)CCn1c(-c2ccc(C)cc2)nc2scc(-c3cccs3)c2c1=O
COCC(C)NC(=O)c1cccc(C)c1C	COCC(C)NC(=O)c1cccc(C)c1C
CC(C)c1nc(Cl)c(I)c(c2ccccc2)n1	CC(C)c1nc(Cl)c(I)c(-c2ccccc2)n1
CCCC(NC(=O)C1CC2(C[NH+]1C)SCCCS2)C(=O)C(=O)NCC(=O)NC(C(C)=O)c1ccccc1	S1CCCSC21CC([NH+](C2)C)C(NC(CCC)C(C(=O)NCC(=O)NC(C(C)=O)c1ccccc1)=O)=O
CCC(C)(O)CNc1cnn(CCOC)c(=O)c1Cl	CCC(C)(O)CNc1cnn(CCOC)c(=O)c1Cl
CNC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3cccc(C(=O)N(C)C)c3)CC2)c1C	CNC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3cccc(C(=O)N(C)C)c3)CC2)c1C
CC1CC1Nc1ncnc2ccccc12	CC1CC1Nc1ncnc2ccccc12
CC[N+](CC)(CC)CC1(C)c2cc(C)ccc2-c2ccc(C)cc21	CC[N+](CC)(CC)CC1(C)c2cc(C)ccc2-c2ccc(C)cc21
CC1CN(C(=O)NCC2CCCCS2(=O)=O)C(C)CO1	CC1CN(C(=O)NCC2CCCCS2(=O)=O)C(C)CO1
O=C(CC1CCCCC1)Nc1cncc(c2cc3c(cn2)[nH]nc3c2nc3c(cncc3c3ccccc3F)[nH]2)c1	O=C(CC1CCCCC1)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccccc6F)cncc5[nH]4)n[nH]c3cn2)c1
CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C)nn2c2ccc(C)cc2)C1=O	c1cc(C)ccc1-n1nc(C)cc1NC(CN1C(NC(c2ccccc2)(CC)C1=O)=O)=O
CC(=O)NC1CCc2cc(C(=O)CCl)c(O)cc2C1	CC(=O)NC1CCc2cc(C(=O)CCl)c(O)cc2C1
CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)CCC(C)=O)cc2)cc1	CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)CCC(C)=O)cc2)cc1
CCc1cccc(CC)c1NC(=O)CCc1nc2ccccc2[nH]c1=O	CCc1cccc(CC)c1NC(=O)CCc1nc2ccccc2[nH]c1=O
Cc1ncn(Cc2nc(N)ccc2Cl)c(=O)c1I	Cc1ncn(Cc2nc(N)ccc2Cl)c(=O)c1I
CC(=O)C1CCCC2CCC3CC(O)CCC3(C)C2CC(=O)C1C	CC(=O)C1CCCC2CCC3CC(O)CCC3(C)C2CC(=O)C1C
NC(=S)COc1ccccc1NC(=O)NC1CCC1	NC(=S)COc1ccccc1NC(=O)NC1CCC1
CC(c1cccc(Br)c1)N1C(=O)COCC1=O	C1(=O)COCC(N1C(c1cccc(Br)c1)C)=O
O=C([O-])c1cn2c(cc1=O)-c1cc(Br)c(OCc3ccccc3)cc1CC21CCCCC1	O=C([O-])c1cn2c(cc1=O)-c1cc(Br)c(OCc3ccccc3)cc1CC21CCCCC1
COc1cccc(CCNc2cc(C(=O)NCC3CCCO3)ncn2)c1	COc1cccc(CCNc2cc(C(=O)NCC3CCCO3)ncn2)c1
C[NH2+]C(C)CNC(=O)c1cc(C)n(c2ccccc2C)c1C	C(=O)(NCC(C)[NH2+]C)c1cc(C)n(-c2ccccc2C)c1C
N#CC1CCN(C[N+]2(c3ccc(Cl)cn3)C=CC(c3ccccc3F)=N2)CC1	Fc1c(C2=N[N+](C=C2)(CN2CCC(CC2)C#N)c2ccc(Cl)cn2)cccc1
CC1CCN(C(=O)CSc2nnc(C3CCCCC3)n2C)CC1	c1(n(C)c(nn1)C1CCCCC1)SCC(=O)N1CCC(C)CC1
C[NH+]1CCN(c2ccc(CCCC[NH3+])cc2F)CC1	C[NH+]1CCN(c2ccc(CCCC[NH3+])cc2F)CC1
CC(C)C(S)C(=O)N(C)Cc1ccoc1	C(C(C(=O)N(Cc1cocc1)C)S)(C)C

CCc1cccc(NC(=O)N2CCn3nnc(COCc4cccnc4)c3C2)c1

CC(O)c1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3nc[nH]c3Cl)c2F)c1

CC1(C)OC2OC(COP(=O)(Sc3ccccc3)Sc3ccccc3)C3OC(C)(C)OC3C2O1

O=P(OCC1C2OC(C)(C)OC2C2C(O1)OC(C)(C)O2)(Sc1ccccc1)Sc1ccccc1

CC=CC(=O)OC1Cc2ccccc21

c1ccc2C(OC(C=CC)=O)Cc2c1

COC(=O)CCCN1C(=O)NC(C)(c2ccc3c(c2)CCC3)C1=O

CCc1ccccc1C(O)c1cc(Cl)ccc1Cl

N#Cc1ncc(C(F)(F)F)cc1n1nnc(C(=O)c2ccccc2)c1c1ccccc1

N#Cc1ncc(C(F)(F)F)cc1-n1nnc(C(=O)c2ccccc2)c1-c1ccccc1

CC1(CNc2c(F)cc(C#N)cc2F)CC[NH2+]CC1

O=C([O-])CC1CC2CCC(C1)N2C(=O)C1CC=CCC1

C[NH2+]C(C)Cc1onc2c(Cl)cccc12

[NH2+](C)C(C)Cc1c2c(c(ccc2)Cl)no1

COc1cnc(C([NH3+])c2cccc(Cl)c2)c(OC)n1

c1c(cc(C([NH3+])c2ncc(nc2OC)OC)cc1)Cl

C[NH+]=C(NCC1CCOc2ccccc21)NC1CC[NH+](Cc2ccccc2C)CC1

CC(=O)CCC=C(C)CO[Si](C(C)C)(C(C)C)C(C)C

CCc1ccc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)cc1

O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCCC1CC1CCCCC1

CC(CN1CC(O)CC1=O)[NH+](C)C1CC1

C(C)([NH+](C)C1CC1)CN1C(=O)CC(O)C1

CC(C)[NH2+]CC(C(C)C)N(C)Cc1cccc(Br)c1

Cc1cc(Br)ccc1SCC(=O)OCC(=O)NC(=O)NCc1ccccc1

c1ccc2c(c1)sc1ccc(c3ccc4c(c3)c3ccccc3n4c3cccc(c4ccc5nc(c6cccc(n7c8ccccc8c8cc(c9ccc%10sc%11ccccc%11c%10c9)ccc87)c6)c(c6cccc(n7c8ccccc8c8cc(c9ccc%10sc%11ccccc%11c%10c9)ccc87)c6)nc5c4)c3)cc12

c12c(cccc2)sc2ccc(-c3ccc4c(c5c(n4-c4cc(ccc4)-c4nc6ccc(cc6nc4-c4cccc(-n6c7c(cc(-c8ccc9sc%10ccccc%10c9c8)cc7)c7ccccc76)c4)-c4cccc(c4)-n4c6c(cc(cc6)-c6cc7c(cc6)sc6ccccc76)c6c4cccc6)cccc5)c3)cc21

CC(=O)N1CCOc2ccc(NC(=O)c3cccc(N(C)C)c3)cc21

O1c2ccc(NC(=O)c3cccc(c3)N(C)C)cc2N(CC1)C(=O)C

Cn1nc(C(=O)Nc2ncccc2Cl)c2ccccc21

CN1CCN(C[NH+]2CCN(C)C2)C1

COc1cc(C(=O)N2CC[NH2+]CC2C)ccc1C

Cc1ccccc1C(O)CNC(=O)c1cnc(C2CCCO2)s1

COC(=O)CCc1cccc(N2CCN(c3ccc(C[NH3+])cc3)C2)c1

Cc1c(C(=O)OCC(=O)N2CCN(c3ncccn3)CC2)oc2ccc(Cl)cc12

C(=O)(N1CCN(CC1)c1ncccn1)COC(=O)c1oc2c(cc(Cl)cc2)c1C

CCCC(C)NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1

O=C(CN1C(=O)CC2(CCCCC2)C1=O)N1CCCC(c2nc3ccccc3s2)C1

Cn1nc(c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)Nc1ccccc1)C2

Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)Nc1ccccc1)C2

CC(=O)OCC1OC(OC(C)=O)C(Nc2ccc3cc(I)c(=O)oc3c2)C(OC(C)=O)C1OC(C)=O

CC(CNc1cc[nH+]c(C(N)=S)c1)c1ccccc1

S=C(N)c1[nH+]ccc(NCC(c2ccccc2)C)c1

Cn1c(C2CC2)c(N)c(=O)n1c1cccc(F)c1

Cn1c(C2CC2)c(N)c(=O)n1-c1cccc(F)c1

C[NH+](C)CCCn1ccc2c3ccn(Cc4ccc(F)cc4)c(=O)c3ccc21

COc1ccc2c(c1)CN(C(=O)Cn1nc(c3ccc(F)cc3)nc1c1ccc(F)cc1)C(C)C2

COc1ccc2c(c1)CN(C(=O)Cn1nc(-c3ccc(F)cc3)nc1-c1ccc(F)cc1)C(C)C2

COc1ccc(C[NH+](C)CC2OCCCCC(C)Oc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N(C(C)CO)CC2C)cc1

C=C(COC(=O)OCCCC)COC(=O)OCCCC

CNS(=O)(=O)c1ccccc1NC1CCCC1C(=O)[O-]

S=c1[nH]ncn1Cc1cccc2cccnc12

COc1ccc2cc(C([NH3+])c3sccc3C)ccc2c1

Cc1cccc(COCC2CCS(=O)(=O)C23CN(C(=O)C2CCC2)C3)n1

CCCCCc1cc(F)c(C(F)(F)Oc2ccc(c3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1

CCCCCc1cc(F)c(C(F)(F)Oc2ccc(-c3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1

CCCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2n2c(=O)n(CC(=O)N(C)c3ccc(F)cc3)nc12

C(NC(c1cc2c(cc1)c(=O)n(CCC)c1nn(CC(=O)N(c3ccc(F)cc3)C)c(=O)n21)=O)C(C)C

O=C(CSc1cccc[n+]1[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1

[NH3+]C1CCCCC1Nc1ccc([N+](=O)[O-])cc1C(=O)[O-]

c1(c(ccc([N+]([O-])=O)c1)NC1CCCCC1[NH3+])C(=O)[O-]

O=Cc1ccc2cccc(OC(F)(F)F)c2c1

O(c1c2c(ccc(c2)C=O)ccc1)C(F)(F)F

CC(C)(C)NC(=O)N1CCC(CC(=O)[O-])C1

COc1cccc(c2cc(C(C)=O)c(C(C)C)o2)c1

COc1cccc(-c2cc(C(C)=O)c(C(C)C)o2)c1

CC1(C)CC(=O)c2c(N)nc(NC3CCCC3)nc2C1

CC(C)(C)NC(=O)C(=O)[N-]C(=O)c1ccc(N)cc1

O=C([N-]C(C(NC(C)(C)C)=O)=O)c1ccc(N)cc1

O=C(Nc1cccnc1Cl)c1coc(c2ccc(Cl)c(Cl)c2)n1

Clc1c(cccn1)NC(c1nc(oc1)-c1cc(c(cc1)Cl)Cl)=O

CCOc1cc2c(cc1C(=O)NC)C(=[NH2+])N(CC(=O)c1cc(C[NH2+]CCC(=O)[O-])c(O)c(C(C)(C)C)c1)C2

CCOc1ccc(F)cc1C(CC)CC1OC1C

[NH3+]CCOC(=O)I

O(CC[NH3+])C(I)=O

OC(CNc1cccc(Cl)c1Cl)c1ccc(F)cc1

CCCC(C#N)C(=O)c1ccc(C)cc1F

CCOC(=O)c1c[nH+]c(N)[nH]1

COC(=O)c1nc(NC(=O)Cc2ccc3c(c2)OCCCO3)sc1Cc1ccccc1

C(c1nc(sc1Cc1ccccc1)NC(Cc1ccc2c(c1)OCCCO2)=O)(OC)=O

O=C(NCCCn1cccn1)NC1CCCCC1

CNC(=O)Oc1cc(OC)c(OC)c2ccc(Cl)cc12

O=C(C(CCSc1ccc(Cl)cc1)=NO)c1ccc(Sc2ccccc2)cc1

c1ccc(c2ccc(N(c3cc4c5ccccc5n5c6ccccc6c(c3)c45)c3ccc4c5ccccc5n(c5ccccc5)c4c3)cc2)cc1

c1ccc(-c2ccc(N(c3cc4c5ccccc5n5c6ccccc6c(c3)c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1

CCCNc1ccc(C(=O)NC2CC2)nn1

CC[NH+]1CCC(CNC(=O)CC(C)=O)C1

CC1(CCNc2ncccc2[N+](=O)[O-])OCCO1

c1([N+]([O-])=O)c(nccc1)NCCC1(OCCO1)C

CC1CC(C)C(C)N(C(C[NH2+]C(C)(C)C)C(C)C)C1

O=C([O-])C1(CC(F)(F)c2ccccc2)CC1

O=Cc1ccc(OCCCOCCCOc2cc(Cl)c(Cl)cc2Cl)cc1

CC(C)Oc1ccc(C(=O)NCCCn2cccn2)cc1

CC1CC1CNC(=O)N1CCCC(N2CCCS2(=O)=O)C1

COc1cccc(Cn2cc3c4c2C(=O)C([NH3+])=CC4[NH+](C)CC3)c1

O=C(c1ccc(Cl)c(F)c1)c1cccc2ccncc12

Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)c(C)c2)cc1C

Cc1sc2nc(C[NH+]3CCN(c4nc5ccccn5c(=O)c4[N+](=O)[O-])CC3)[nH]c(=O)c2c1C

CCCCCCCCCCCCCCCC(=O)OCCC1(O)CCC(=O)CC1

C1(=O)CCC(O)(CC1)CCOC(CCCCCCCCCCCCCCC)=O

CN(C)C(=S)NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2

CC[NH+](CC)CCn1c(=O)c2c(nc1c1ccc(C)cc1)scc2c1cccs1

CC[NH+](CC)CCn1c(-c2ccc(C)cc2)nc2scc(-c3cccs3)c2c1=O

COCC(C)NC(=O)c1cccc(C)c1C

CC(C)c1nc(Cl)c(I)c(c2ccccc2)n1

CC(C)c1nc(Cl)c(I)c(-c2ccccc2)n1

CCCC(NC(=O)C1CC2(C[NH+]1C)SCCCS2)C(=O)C(=O)NCC(=O)NC(C(C)=O)c1ccccc1

S1CCCSC21CC([NH+](C2)C)C(NC(CCC)C(C(=O)NCC(=O)NC(C(C)=O)c1ccccc1)=O)=O

CCC(C)(O)CNc1cnn(CCOC)c(=O)c1Cl

CNC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3cccc(C(=O)N(C)C)c3)CC2)c1C

CC1CC1Nc1ncnc2ccccc12

CC[N+](CC)(CC)CC1(C)c2cc(C)ccc2-c2ccc(C)cc21

CC1CN(C(=O)NCC2CCCCS2(=O)=O)C(C)CO1

O=C(CC1CCCCC1)Nc1cncc(c2cc3c(cn2)[nH]nc3c2nc3c(cncc3c3ccccc3F)[nH]2)c1

O=C(CC1CCCCC1)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccccc6F)cncc5[nH]4)n[nH]c3cn2)c1

CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C)nn2c2ccc(C)cc2)C1=O

c1cc(C)ccc1-n1nc(C)cc1NC(CN1C(NC(c2ccccc2)(CC)C1=O)=O)=O

CC(=O)NC1CCc2cc(C(=O)CCl)c(O)cc2C1

CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)CCC(C)=O)cc2)cc1

CCc1cccc(CC)c1NC(=O)CCc1nc2ccccc2[nH]c1=O

Cc1ncn(Cc2nc(N)ccc2Cl)c(=O)c1I

CC(=O)C1CCCC2CCC3CC(O)CCC3(C)C2CC(=O)C1C

NC(=S)COc1ccccc1NC(=O)NC1CCC1

CC(c1cccc(Br)c1)N1C(=O)COCC1=O

C1(=O)COCC(N1C(c1cccc(Br)c1)C)=O

O=C([O-])c1cn2c(cc1=O)-c1cc(Br)c(OCc3ccccc3)cc1CC21CCCCC1

COc1cccc(CCNc2cc(C(=O)NCC3CCCO3)ncn2)c1

C[NH2+]C(C)CNC(=O)c1cc(C)n(c2ccccc2C)c1C

C(=O)(NCC(C)[NH2+]C)c1cc(C)n(-c2ccccc2C)c1C

N#CC1CCN(C[N+]2(c3ccc(Cl)cn3)C=CC(c3ccccc3F)=N2)CC1

Fc1c(C2=N[N+](C=C2)(CN2CCC(CC2)C#N)c2ccc(Cl)cn2)cccc1

CC1CCN(C(=O)CSc2nnc(C3CCCCC3)n2C)CC1

c1(n(C)c(nn1)C1CCCCC1)SCC(=O)N1CCC(C)CC1

C[NH+]1CCN(c2ccc(CCCC[NH3+])cc2F)CC1

CC(C)C(S)C(=O)N(C)Cc1ccoc1

C(C(C(=O)N(Cc1cocc1)C)S)(C)C