smiles
stringlengths 1
500
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C1c2c(ccc(c2)SCC(=O)N[C@@H]([C@@H](C)O)C(=O)O)CC1
|
c1(NC(c2c(NCc3ccccc3)cn[nH]2)=O)cc(ccc1)OC
|
c1c(cncc1)CCC(N)c1cc(C)sc1
|
c1(ccc(N(C)C)cc1)/C=C(/NC(=O)c1ccccc1)C(Nc1cccc(SC(C(=O)Nc2cc(C)ccc2)CC)c1)=O
|
Cc1cccc(c1C)Nc1nnc(SCC(=O)NC(C)C)s1
|
S(=O)(Cc1nc(sc1)C)(Cc1c(C)nn(c1Cl)Cc1ccccc1)=O
|
O=S(=O)(CCC)NC(C)CN1CC(CCC1)C
|
c1c(N2CCCCC2)ccc(NC(C2CC3C4(SCCS4)C(CC3)C2)=O)c1
|
c1cc(Br)[c-](c1)Br
|
c1(ncc(cc1Cl)Cl)NC(=O)CSc1nnc(n1N)-c1ccc(cc1)C(C)(C)C
|
C1N(CCN(C1)C(C)=O)CCNC(=NC)NCc1onc(c1)C(CC)CC
|
C1C(c2c(c(-c3c(Cl)cccc3Cl)no2)COC23CCC(CC3)(COc3cc4c(cc3)nc(C(O)=O)cc4C(F)(F)F)CC2)C1
|
c1(cccc(c1)C(NC)=O)CNC(=O)C(n1nnc(-c2ccc(Cl)cc2)n1)CC
|
c1c(F)cc(C(c2n(ccn2)CC)NN)cn1
|
c1(ccco1)CNC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)OCCC
|
C(\CNCN/C(=C\C(OCC)=NC)NCCCC)=C\C(=C/C=C)F
|
C(=O)(NCC(C)/C(=N/O)N)c1cc(Cl)ccc1I
|
c1c(COCC#CC)ccc(c1)C(c1ccc(O)cc1)(c1ccccc1COCC#CC)O
|
c1cccc(c1)N1C(=O)CN([C@]2(C1)CN(C(=O)c1cnccc1)CC2)C
|
Cc1c(Cl)cc(Cl)c(c1)NC(C1(NC([C@H]2N(Cc3ccccc3C2)C(CCC(c2ccccc2)=O)=O)=O)CCNCC1)=O
|
C1C(PCC(O)CCCCC)C2Cc3c(c(OCC(=O)O)ccc3)CC2C1.C1N2CCC(C2)C1
|
C1(=C(CC[C@@H]1C)B1OC(C)(C(C)(O1)C)C)C(=O)OCC
|
COc1ccc(cc1)-c1c(O[C@H](C(Nc2cc(ccc2)C#N)=O)C)ccc(c1)[N+]([O-])=O
|
C1c2n(CCN1C(NCC(C(O)=O)OC)=O)ccn2
|
c1(CN)ccc(cc1)S(=O)(=O)N(CC1CCCN1CC)C
|
C1CC(C(=O)N(C2CC2)C2CC(=O)N(c3ccc(Cl)cc3)C2=O)CCC1
|
c12c(ccc(OC)c2)n(CC(Nc2c(c(ccc2)Cl)OC)=O)cc1
|
C([C@@H]1[C@@H](N1)C(O)=O)Cc1ccccc1
|
C1N2CCCC2C(C1)NC1CC(CCC1)C(C)C
|
O=S(=O)(c1c(c(NCC(C)CCO)cc(c1)N)C)N
|
Cc1nc(n2c(n(CC(Nc3c(C)c(ccc3)C)=O)nc2c1)=O)-c1ccc(cc1)C(F)(F)F
|
Nc1ccn(n1)CCSc1nc(C)ccn1
|
c12c(cccc2)C(c2c-1cccc2)COC(N[C@@H]1C[C@@H](CC1)CC(=O)N(C)C(C(=O)O)CC)=O
|
O=C(c1ccc(OC(F)(F)F)c(NC(=O)CN2CCN(CC2)C)c1)Cl
|
C1(CCC(COC)CC1)c1c(F)cc(-c2ccc(-c3c(F)c(F)c(cc3)OCCCCCCCC)cc2)cc1
|
c1(nc(CC)cc(c1)C(=O)NCC(C(C)C)C)N
|
C(CCC)COc1c(Cl)cc(cn1)C
|
c1(NC(c2cccc(c2)C(F)(C)F)CC(NCc2ncco2)=O)[nH]c2c(n1)cccc2
|
c1c(ccc(n1)C(N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC(C)C)NC(=O)c1[nH]c2c(c1)cccc2)=O)-c1ccc(cc1)C#N
|
Clc1cc(c(CN(C(CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(cc2)OC)=O)[C@H](C(=O)NCCC)C)cc1)Cl
|
c1c(cc(CNC)c(F)c1)S(=O)(=O)NC1CC(C1)OCC
|
COCCOc1cc(C)ccc1CNC(NCCS(c1ccccc1)(=O)=O)=NC
|
C(OC(=O)OC(C)OC(=O)c1c2c(nc(n2Cc2ccc(cc2)-c2c(-c3n[nH]nn3)cccc2)OCC)ccc1)CCCCCCO/N=[N+](/[O-])N1[C@@H](C)CCC[C@H]1C
|
C(O[Si](OCC)(OCC)CCCNc1nc(nc(n1)N(CC)c1ccccc1)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(O)=O)NNc1ccc2c(cccc2c1S(O)(=O)=O)S(=O)(O)=O)S(=O)(O)=O)C
|
c1c(Cc2oc3c(n2)cc(CCN)cc3)ccc(F)c1
|
O([C@@H]1C(C)(C)COC1=O)C(=O)/C=C/Br
|
O=C(c1ccc(cc1)Cl)N(CCc1nc(on1)-c1cc2cc(ccc2[nH]1)Cl)C
|
c1c2CCn3c4C(N(CCCCc4c(-c4sccc4)c3-c2cc(C2OC(C)(OC2CO)C)c1OC)C(C)(C)C)=O
|
C1[C@H](C[C@H](C(N2CSC[C@@H]2C(=O)[O-])=O)N1S(=O)(=O)c1ccc(cc1)F)O
|
C1(=O)N(N(C(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc(OC(=O)c3occc3)cc2)C(CC1)=O
|
OC([C@@H]1C[C@H](CC)NC(=O)C1)=O
|
C1(N)=C(C#N)C(c2c(O1)cc(C)n(c2=O)Cc1cnccc1)c1c(cccc1)OCC
|
c1c(NC(C2CSCN2C(CC)=O)=O)c(-n2cccc2)cc(Cl)c1
|
c1c(ccc(F)c1F)C(Nc1nnc(SCc2c(Cl)cccc2)n1CC)=O
|
N(Cc1ccc(cc1)-c1c(cnc(n1)C)-c1onc(c1)C)C(=O)[C@H]1CCC=CC1
|
O=C([C@@H](NC(=O)C)CC/C=C/C(=O)OCC)Nc1cccn(c1=O)CC(=O)N[C@@H](CC(C)(C)C)C(COC)=O
|
CS(Cc1ccc(cc1)Nc1nccc(-c2c3n(nc2-c2cccc(c2)NC(=O)c2c(F)cccc2F)nccc3)n1)(=O)=O
|
c1c(ccc(c1)-c1[nH]ncc1CNC(=O)N1CCOCC1)OC
|
c1(COc2c(ccc(/C=N/NC(Cc3ccccc3)=O)c2)OCc2ccccc2)ccccc1
|
[C@H]1([C@@H](CO)O[C@H](C[C@H]2[C@H](O)[C@@H](CO)O[C@H](Oc3c(cc(-c4cc(C(NC)=O)ccc4)cc3)C)[C@H]2O)[C@@H](O)[C@H]1O)O
|
C1(CN(C(=O)Cc2ccn[nH]2)C1)(O)CCC
|
c1ccccc1CN(C(=O)c1csc(Cc2ccccc2)n1)C(C)CN1CCOCC1
|
O=S(N(CC(F)(F)F)C)(c1c(CCO)cc(OC)cc1)=O
|
C1(C(OCC)=O)CCN(CC1)C(=NC)NCc1cc(NC(=O)c2occc2)ccc1
|
C(=C\CCCCC)\C[C@@H]1[C@H](O[C@@H](C[C@H]1OC(c1ccccc1)=O)OC)/C=C/C(=O)CCCC(OC)=O
|
c1c(CSc2nc(nc([nH]2)=O)SCc2cccc(c2)Cl)ccc2nonc12
|
c1c(NC(CN(c2ccc(F)cc2)CC)=O)cc(c(OC)c1)OC
|
c1cc(CSc2nc(=O)n(c3CCCCc32)CCCO)ccc1F
|
C1CC(C=CC1(C)C)(CC#C)O
|
C(COc1c([C@@H]([C@H](CCO)C)OC(Nc2ccc(C(=O)C)cc2)=O)cccc1)O
|
c12cccc(c2c(n(c(c1Cl)C(Nc1nc2c(cn1)c(cc[nH]2)=O)C)-c1ccccc1)=O)Cl
|
C[SiH](C(C(C)(C)[Si](C)(C)Cl)(C)C)C
|
O(/N=C(\CCC)c1ccc(C)cc1)[Si](C)(C)C
|
CC(=O)OC1OC(OC(=O)C)C23C(O)CC(C)C(C)(C3CC(OC(CC(CCCCC)O)=O)C=C21)CCC(=C)C=C
|
c1(O)c(c(ccc1CN)CC(=O)OC)C#N
|
c12c(cc(cc2)F)[nH]c(n1)CCNc1c(cc([N+]([O-])=O)cc1)C(N)=O
|
O(c1c(cc(-c2nn(-c3ccccc3)cc2C=C(C(Nc2cc(ccc2)C(F)(F)F)=O)C#N)cc1)OC)C
|
C1(C(C(C)(C)CC=C1)C(=O)C[C@H](C)SCC(OCCCCOC(CS[C@@H](CC(=O)C1C(CC=CC1C)(C)C)C)=O)=O)C
|
c1cc(Br)ccc1-c1c2c(ncn(CC(=O)Nc3ccc(cc3)S(=O)(=O)N(C)C)c2=O)sc1
|
c1c(C(=O)NCc2ccco2)cc(cc1)CNC(c1ccccc1C(c1ccc(cc1)Cl)=O)=O
|
C(CCCCCCCCCC(OC(COC(CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCC)=O)=O)CCCCCCCCCCCCCCCCC
|
C[Si](C)(C)OCC(c1ccccc1)O
|
c1([C@H](NC(=O)c2ccc3N([C@H](C)Cc3c2)S(=O)(=O)C)C(C)(C)C)ccccc1
|
Cc1c(ccc(c1)N1C(/C(=C\c2cc(Cl)c(O)cc2)C(=O)NC1=O)=O)Br
|
O=C(c1cn(CCN)c(CC)c1)OCC.O=C=O
|
N1(C(C(N(CC(O)=O)CCOC)CC1=O)=O)C(CC)CC
|
C(=O)(N/N=C\c1cc(C)ccc1)CN(S(c1ccc(cc1)Cl)(=O)=O)Cc1c(cccc1)F
|
Nc1c2c(cc(-c3c(O)cccc3)cc2)ccc1
|
CC1NC(=C(OC(=O)N[C@H](C)c2ccccc2)[C@H](c2ccccc2OCc2ccccc2)C=1OC(=O)OC)C
|
C1C(NC(=O)COCCOC(C)C)CCC(C(NCC(CC)=O)=O)C1
|
c1c(NC(C2CCCN2)=O)nc(cc1)-c1ccccc1
|
C(CCCCCCCC)CCC(O)CF
|
Cc1cc(N(c2cc(C)ccc2)c2ccc3c(c2)-c2c(C43c3ccccc3-c3c4cccc3)cccc2)ccc1.Cc1cccc(Nc2cc(ccc2)C)c1.c1cc2C3(c4ccccc4-c4c3cccc4)c3c(-c2cc1)cc(cc3)Br
|
c1nc(-n2cncn2)ccc1NC(Cc1ccc2c(c1)CCO2)=O
|
c1(c(nc(C)s1)C)COC(C1C(c2cn(C)nc2)N(C)C(=O)CC1)=O
|
CCNC(c1cc(C)nc2c1cccc2)C1CCCOC1
|
C(OC(C(NC(C)C)(COCCC)c1ccccc1)=O)C
|
c1cc(S(=O)(Nc2cccc(Cl)c2C)=O)ccc1NC(c1c(ccc(S(=O)(N2CCCC2)=O)c1)Cl)=O
|
c1ccccc1-c1c2c(nc(n1)N)ccc(n2)C(=O)OC(CN1CC=CCC1)(C)C
|
n1n(CC)cc(CN2[C@@H](c3nc4c(CCCN4CC4CC4)c(C)n3)CCCC2)c1
|
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