pubchem_100k_random stringlengths 6 930 |
|---|
CCCCC(=O)OC1(C(=O)SCC(=O)c2ccc(Cl)cc2)C(C)CC2C3CC(O)(F)C4=CC(=O)C=CC4(C)C3(F)CCC21C |
CCOc1cccc(OC(=O)OC)c1COc1ccc(CC)cc1CC |
NC1=[NH+]C=N[NH+]2CC(CO)C(c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)=C12 |
CCCCC(=O)c1ccc(F)c(Br)c1 |
CCOc1c(Cl)cc(CNC(=O)c2c(C)nn(c3ccc(F)cc3)c2Cl)cc1OC |
Clc1ccccc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 |
CC1CCc2cnc(N3CCC([NH3+])CC3)nc2C1C |
CC[NH+](CCF)CC(=O)Nc1c(C)cccc1C |
CNc1nc(c2cccc(NC(=O)C(C)(C)CCl)c2)cs1 |
CC(C)(C#N)OS(=O)(=O)Cc1ccc(F)cc1 |
CC1Cc2cc(C(O)C[NH+]3CCC(O)(c4ccc(C(F)(F)F)cc4)CC3)ccc2O1 |
Nc1ccc(c2cc(NCCO)[nH]c3nccc2-3)cn1 |
CCCCCNc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 |
C[NH+](CCC[NH3+])C1CCOC1 |
COc1ccccc1NC(=O)Cn1c(=O)n(CCc2c[nH]c3ccccc23)c(=O)c2cccnc21 |
CCCc1ccc(C(=O)C[NH+](CC)CCC)cc1 |
CC(CC(C)(N)C#N)[NH+](C)CCc1ccncc1 |
CC(N)CS(=O)(=O)C(C)C(=O)N1CCOCC1 |
COc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 |
Cc1nnc(SCC(F)F)n1N |
CC[NH2+]Cc1cc(CN2CCS(=O)CC2)c(C)o1 |
CC(C)COC(=O)NCCc1[nH]cnc1c1cccs1 |
COC(=O)C1=C(O)CC(C2CCCCC2)OC1c1ccccc1 |
O=C(Nc1nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)co1)c1ccccc1 |
CCNC(=O)C1CC(NC(=O)c2cc(Cl)ccc2O)C[NH+]1CCOC |
C=Nc1c(NC)sc2c(N3CCOCC3)nc(N3CC(C)OC(C)C3)nc12 |
CC[NH+](CC)CC(C)Nc1[nH+]c(C)cn1CCCOC |
COc1cc2c(N3CCN(C(=O)[O-])CC3)ncnc2cc1OCCCC1CCC[NH2+]C1 |
O=C(NCCS)OCc1oc(=O)oc1c1ccccc1 |
C=C(C)CN(CC)C(=O)COC(=O)c1n[nH]c2ccccc12 |
CCCCS(=O)c1nc(Cl)c(C(C)=O)s1 |
Cc1ccc(C(=O)N2CCOC(C[NH+](C)CC(=O)[O-])C2)c(Br)c1 |
CCC(C)C(NC(=O)C(C)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CS)NC(=O)C(NC(=O)C([NH3+])C(C)O)C(C)CC)C(C)O)C(C)O)C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCC[NH3+])C(=O)NC(CC(=O)[O-])C(=O)NC(CS)C(=O)NCC(=O)NC(CCC(=O)[O-])C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(... |
Cc1nc(NC(=O)COc2ccnc3c2CCCC3)sc1C |
CCOC(=O)c1c(C=CC(=O)Nc2cccc(C(=O)N(C)C)c2)c(C)n(CC)c1C |
Cc1cccc(c2noc3cnc(NC(C)c4ccccc4)cc32)c1 |
C[NH2+]CCN(C)S(=O)(=O)c1cccc(C([NH3+])c2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 |
O=C(NC1CCCCCC1)c1ccc(F)cc1F |
CCO[Si]1(OCC)CCC1 |
CCC(O)(CC)C[NH2+]C(C)c1ccnc(Cl)c1 |
O=C1c2ccccc2C(=O)c2cc(OS(=O)(=O)c3ccccc3)ccc21 |
CCCCCCNC(=O)C(CCSC)NC(N)=O |
Cc1cccc(C(=O)N2CC(Oc3cccc(c4nc(c5ccccc5)no4)c3)C2)c1 |
CC(=O)NC(CC(=O)NCCC1=CCCCC1)c1ccc(Cl)cc1 |
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3cc(C(C)(C)C)cc4c3c3ccc(C(C)(C)C)cc3n4c3cc(c4cccnc4c4ccccc4)cc(n4c5cc(C(C)(C)C)ccc5c5ccc(C(C)(C)C)cc54)c3C#N)ccc1n2c1cc(c2cccnc2c2ccccc2)cc(n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cc5c6ccccc6n(c6cc(c7cccnc7c7ccccc7)cc(n7c8ccccc8c8ccc(n9c%10ccccc%10c%10ccccc%109)cc87)c6C#N)c5cc4n4c5ccccc5c5cc... |
O=C([O-])c1cccn2cc3c(=O)cccc-3nc12 |
NC1([NH3+])C(=O)Nc2ccccc21 |
C#CCOc1ccc(C=C2NC(=S)N(C3CCCCC3)C2=O)cc1Br |
COc1ccc(CC[NH+]2CCCC2C(=O)[O-])cc1OC |
Cc1cnc(c2noc(CC[NH2+]C3CC3)n2)nc1 |
CC(CC(O)C(=O)ON1C(=O)CCC1=O)NC(=O)OCc1ccccc1 |
Cc1ccc(C(Cl)c2csc3c(Br)cccc23)cc1 |
O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(c2cccs2)nc2ccccc12 |
CCCCCCCCOc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 |
CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 |
CCC1CC[NH+](Cc2cnc(Cl)cn2)C1 |
N#CC1=C([NH3+])OC2=C(C[NH+](Cc3ccccc3)CC2=Cc2ccoc2)C1c1ccoc1 |
COCCCN1C(=O)CCC2C[NH+](Cc3cccs3)CCC21 |
Cc1ccc(C[NH2+]CC2C(C)(C)C2(C)C)cn1 |
Cc1cc(NS(=O)(=O)c2cc(Br)ccc2C)c(C)cc1O |
c1ccc(NCc2cccc3ccccc23)c(Cn2ccnc2)c1 |
Cc1[nH]c2cc(C(=O)CO)ccc2c1C |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCC(C[NH2+]CCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 |
Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(c4ccc(Cl)cc4)nc3c2)cc1[N+](=O)[O-] |
Fc1cc(F)cc(C[NH2+]C2CCCC2CCl)c1 |
CC(C)N(C)C(=O)N1CCS(=O)CCC1C |
CCC(CC(N)=S)Oc1ccccc1 |
COCc1ccccc1n1nnc(C(C)=O)c1C |
c1ccc(n2c3ccc(c4ccc5ccccc5c4)cc3c3c4c(ccc32)sc2ccccc24)cc1 |
Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1F |
CNc1nc(C)c(CCc2ccc(Br)cc2)o1 |
COc1ccccc1c1ccc2cnc(Nc3cccc(OC(C)C4CCC[NH2+]4)c3)nn21 |
CSC(C)CCNC(=O)Nc1ccc(C(=O)[O-])c(O)c1 |
N#CC(c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1 |
CC1C(CBr)CCN1C(=O)c1ccsc1 |
CC(C)CCC[NH+]1CCc2sccc2C1C(=O)[O-] |
Cc1cc(NC(=O)NC(=O)c2ccccc2Br)nc(C)c1c1ccc(Br)cc1 |
CC(C)C1CCCC(O)(C2(C#N)CCS(=O)(=O)C2)CC1 |
CC(C)C(O)CC(=O)NCc1ccc(Br)c(F)c1 |
COCCNC(=O)c1ccc2c(c1)OCC(c1ccccc1)N2S(=O)(=O)c1ccc(F)cc1 |
Nc1cc(CC(=O)[O-])c(CCl)nc1C(F)F |
O=C(CO[P+](O)(O)O)N(O)CCCCO[P+](O)(O)O |
CCOC(=O)c1ccc(Nc2nc(c3ccc(C(F)(F)F)cc3)cs2)cc1 |
CC(C)(C)C(=NSc1ccc([N+](=O)[O-])cc1)c1ccccc1 |
NC(=S)c1ncccc1Nc1ccccc1Cl |
COC(=O)CC(C)S(=O)c1ccc(C)c(C)c1 |
C=C(C)C(=O)C(O)COc1ccc(c2nc(c3ccccc3C)nc(c3ccccc3C)n2)c(O)c1 |
COc1ncc(N)cc1Cl |
C[NH+]1CCC(NC(=O)CCOc2ccccc2)C1 |
COc1cccc(C(=O)NCC=C(C)C)c1O |
CC(C)CNC(=O)COc1cccnc1Cl |
CCN(CCON(C)C(=O)Cn1ncnn1)c1ccc(N2CC(CNC(C)=O)OC2=O)cc1F |
O=C(c1cc(F)cc(Cl)c1)c1cccc(C[NH+]2CCOCC2)c1 |
COCCCOc1cc(CN(C(=O)C2CC(C(=O)Nc3c(C)cccc3OC)CN(C(=O)OC(C)(C)C)C2)C2CC2)cc2c1CCO2 |
NC(=O)c1cc([N+](=O)[O-])ccc1n1cc(Br)cn1 |
[CH]1[CH][CH]C(C=NCCN=CC2[CH][CH][CH][CH]2)[CH]1 |
O=c1c(c2ccc(Cl)cc2Cl)cccn1C(C[NH+]1CCCC1)c1ccccc1 |
Nc1nc(Nc2ccc3c(c2)CCC([NH+]2CCCC2)CC3)nn1c1cc(c2ccccc2)c2c(n1)C1CCN2CC1 |
CCN(CC)c1ncc(N(CC)C(=O)N(C)CCc2ccccc2)c(NC(Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 |
CCCc1c(O)c2ccccc2c(c2ccccc2)c1c1ccccc1 |
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