smiles
stringlengths 7
778
|
|---|
C[NH2+]C(c1cscc1Br)c1oc2ccc(F)cc2c1C
|
COCC1(CNS(=O)(=O)c2cc(F)c(C)cc2F)CC[NH2+]CC1
|
CCOC1CC([NH3+])C1NC(=O)c1cc(Br)ccc1O
|
CC(c1cn2c(c[nH+]c2c2ccccc2)c(=O)[nH]1)[NH+]1CC(c2ncccn2)C1
|
CC([NH2+]CC(=O)N1CCCC1)c1ccccc1Cl
|
Cc1ccc(n2nc3c(c2n2cccc2)CN(C(=O)c2sc(n4cccc4)nc2C)C3)c(C)c1
|
O=C([O-])CCCCCN1C(Br)=CCc2ccccc21
|
CCCCc1ccc(N2C(=O)C(O)=C(c3ccc(OCC)cc3)C2c2ccccc2OC)cc1
|
CC(=O)C(Cc1ccccc1)NC(=O)COC(=O)COc1ccc(Cl)cc1C
|
CC1CCCC(C[NH2+]CC(=O)[O-])C1
|
CC1CCOC(=O)CCCCCCCCCCC(=O)OCC1
|
COCC1(CNc2cc[nH+]c(C#N)c2)CCC[NH2+]1
|
C=CC(C)[NH2+]C1CCOC2(CCSC2)C1
|
O=C(NCCc1ccccc1)c1ccc(C(=O)Nc2ccccc2Cl)cc1
|
Cc1ccc(S(=O)(=O)NNc2nc(c3ccc(Cl)c(Cl)c3)cs2)cc1
|
CCC1C[NH+]2CCC1CC2C(Oc1nnc(OCCOCCOCCOCCCCCCCCCCCS)c2ccccc12)c1ccnc2ccc(OC)cc12
|
Cc1sc2ncnc(NCCC(=O)Nc3cccc4cccnc34)c2c1c1ccccc1
|
CC1CCCCC1NC(=O)CCC(=O)c1ccc2c(c1)OCO2
|
COc1ccc(CCNC(=O)Oc2c(F)cc(F)cc2Cl)cc1OC
|
CC(C)COc1cn(c2ccccc2)nc1C(=O)NCCN1CC[NH2+]CC1
|
CSCc1nc(=O)cc(C(=O)Nc2nnc(c3cccs3)s2)[nH]1
|
SC1CC2[Se]C1CC2S
|
Cc1noc(C)c1COc1cccc(C(=O)OCc2nc(C(C)C)no2)c1
|
CCc1ccsc1CNC(=O)C(CC)(CC)C(N)=S
|
Cc1cnn(Cc2ccc(Cn3cc(C(=O)[O-])c(C4CC4)n3)cc2)c1
|
COc1ccc(C(=O)Oc2c(=O)c3c(C)cc(C)cc3oc2c2ccc(OC)cc2)cc1
|
Cc1oc(n2cccc2)c(C#N)c1C(=O)OCc1ccccc1C#N
|
Cc1cc(C[NH+]2CCNC(=O)C2CC(=O)[O-])ccc1F
|
O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(F)cc1Br
|
COc1ccccc1CNC(=O)c1cc(Nc2ccccc2C(C)C)ccn1
|
COC(C)Cn1ccc(C[NH3+])c1
|
N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1
|
Cc1cc(OCc2cccc(c3nc4c5cnn(C)c5ncn4n3)c2)ccc1[N+](=O)[O-]
|
Cc1ccc(F)c(NC(=O)C(=O)NCC(O)c2ccco2)c1
|
COc1ccc(N2C(=O)C3Sc4[nH]c(=O)sc4C(c4cc(Br)ccc4OCC(=O)Nc4ccc(Cl)c(Cl)c4)C3C2=O)cc1
|
CN1CC[NH+](CCCNC(=O)c2cc(Cl)c[nH]2)CC1
|
CCOC1(C(N)=[NH+]O)CCCCCC1
|
O=C([O-])c1cn(CC[NH+]2CCN3C(=O)NCC3C2)nn1
|
CN(CCCc1cc(c2cccc(F)c2)n[nH]1)C(=O)Cn1cc(C(=O)[O-])nn1
|
Nc1cc(C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4OC(F)F)CC3)CC2)ccn1
|
COc1ccccc1N1CC[NH+](CC(O)Cn2nc(c3ccc(C)cc3)c3c2CCN(C(C)=O)C3)CC1
|
CCCCCn1ncc2c(N)c(C(=O)N(C)C)c[nH+]c21
|
N#Cc1c[nH+]c2ccc(Cl)cc2c1NCCN1C(=O)CCC1=O
|
Oc1cccc2c1C(P)C=C2
|
O=C([O-])CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc21
|
CCC1(CC)CN(C2CC[NH2+]C2)C1
|
CCC(=CC=CC(=O)c1ccccc1)Cc1ccccc1
|
CCC(=CC[NH+]1CCC(C)(C(N)=O)C1)C(=O)OC
|
COCC[NH2+]CC1(CCc2ccsc2)CC2CC2C1
|
O=C(c1cc(c2ccco2)on1)N1CC2CC=CCC2C1
|
C=CC(=O)Sc1ccc(c2cc(F)c(SC(=O)C=C)c(F)c2)c(F)c1
|
Nc1ccn(c2ccc3c(c2)CCCC3)c(=O)c1
|
CCC(Br)C(=O)NCC(=O)NC1CC1
|
CCCC(C)(CC)N([O-])C(C)(CC)CC(C)(O)CC
|
C[NH2+]C(C)CNS(=O)(=O)c1ccn[nH]1
|
CCC1=C(C(=O)OC)C(c2cccc(F)c2)NC(=S)N1c1ccccc1OC
|
Cc1c(NC(=O)c2cccc(NC(=O)C(C)NC(=O)c3ccccc3)c2)c(=O)n(c2ccccc2)n1C
|
Cc1nc(N=[N+]=[N-])nc(NC(C)C)n1
|
COc1cc2c(cc1Nc1ncc(Cl)c(NC3C4C=CC(C4)C3OC(N)=O)n1)CCC([NH2+]CCO)CC2
|
CC[NH2+]CC(C)(CC)Oc1c(C)cc(Cl)cc1C
|
Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2F)s1
|
CCC(=O)N(CC)CC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C1
|
CC(C)COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1
|
Clc1cc2c(cn1)SNC(OC1C=C1)=[NH+]2
|
COCCCCC(O)(c1cccc(F)c1)C1CCC[NH2+]C1
|
COCCN(CCC[NH3+])C(=O)CCC1CCCCC1
|
Cn1nc2n(c1=O)CCC(NC(=O)CCC1CCCCC1)CC2
|
Cc1cc(C)c2c(c1)C(=O)CC1(CCN(C(=O)COc3ccc(Cl)cc3)CC1)O2
|
CCCCCCCCCCCCOc1ccc(C=Nc2ccc(OCCCCCCCCCCCC)cc2O)c(O)c1
|
CC[NH2+]C(Cc1ccsc1)c1cncs1
|
CCCCC1(C(=O)[O-])CCCCC1(CCCCCCCCCCC(C)C)C(=O)[O-]
|
COC(=O)C1OC(Oc2ccc(COC(=O)N(C)CCN(C)C(=O)Oc3cc4c(c5ccccc35)C(CCl)CN4C(=O)C3Cc4cc(OCC[NH+](C)C)c(OC)cc4N3)cc2NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)C(OC(C)=O)CC1OC(C)=O
|
C=C(C)C[NH+]=C(N)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1
|
CCCCCCCSc1ccc(c2ccc(OC(C)C(=O)[O-])cc2)cc1
|
CC(C)[NH2+]CC(=O)NC1CCCC1(C)C(=O)[O-]
|
CCC([NH3+])(CC)CNC(=O)c1c(C)onc1c1ccccc1Cl
|
CC1(C)C2CCC1(C)C(NC(=O)N1CC3CCC(O)C3C1)C2
|
CCC(CC(CC(C)c1ccc(O)cc1)c1ccc(OC(C)=O)cc1)c1ccc(OC(C)OCCc2ccccc2)cc1
|
O=C([O-])CCC(Cc1ccccc1)NC(=O)NCc1cccc(O)c1
|
CCC(=O)N1CCC2CCCC(CN(C(=O)Cn3cncn3)Cc3ccccc31)[NH+]2CC
|
CC1=C(C)C(=O)N(c2ccc(CC(=O)OOOC3CC(C)CCC3C(C)C)cc2)C1=O
|
Cn1cnc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)c1
|
CC(C(=O)Nc1cc(C(N)=O)ccc1Cl)[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)CC1
|
CCn1nc(C)c(C(C)[NH2+]CCNC(C)=O)c1C
|
Cc1nn(CCCNC(=O)c2ccn(C(C)C(=O)[O-])n2)cc1Cl
|
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1
|
COc1cc(C2(C)CCC(O)C2(C)C)c(OC)cc1C
|
[NH3+]CC1C(=O)NCCN1Cc1ccc2c(c1)OCO2
|
COc1ccc(NCC(C)OC)cc1Br
|
CCCn1ncnc1CC(CC[NH+](C)C)[NH2+]CC
|
CCC(C)CN(C)c1c(Cl)cccc1C[NH3+]
|
Cc1[nH]c(=S)sc1CC(=O)Nc1nc2c(s1)CC(C)CC2
|
CCOC(=O)C1=C(C)NC(SC)=[NH+]C1c1ccc(Cl)cc1
|
NC(=S)c1ccc(C(=O)NCCCc2ccccc2)cc1
|
CNC(=O)C(NC(=O)C(CCCc1ccccc1)C(C)(O)C(=O)NO)C(C)(C)C
|
COC(=O)c1cc(C)c2cnoc2c1
|
COC(=O)N1CCC2(CC1)CC2(N)C#N
|
CCC[NH2+]C(C)c1ccc(F)cc1OCCO
|
COc1cc(OC)c(NC(=O)C2=NNC(=O)CC2)cc1Cl
|
CC(C)C(NC(=O)N1CCCCCC1C(=O)[O-])C(N)=O
|
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