92 SMILES Strings for Core protein

Compound Name
SMILES String
OC(=O)C1Nc2c(O)cccc2C2C=CCC12 |c:14|
CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
Cc1sccc1C1C(C#N)C(=N)SC(=N)C1C#N
CC1(C)Cc2c(CS1)c(nc(N1CCN(CC1)C(=O)c1ccco1)c2C#N)-c1ccco1
Cc1ccc(cc1)-c1nc(=S)c2COC(C)(C)Cc2n1Cc1ccco1
CCc1nnc(NCC(=O)N2CCc3ccccc23)s1
Cc1cc(C)n2c(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nnc2n1
CCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O
Cc1cc(no1)C(=O)OCC(=O)c1ccc(Br)s1
CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
Cc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1
OC1C(Sc2ccccc2NC1=O)c1ccccc1
CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Brc1cc2[nH]cnc2c2ccccc12
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1cccc(C)c1 |c:17|
Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1
Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12
Cc1c(N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45)c(=O)n(-c2ccccc2)n1C
BrC(C=NNC(=O)c1[nH]nc2CCCc12)=Cc1ccccc1 |w:3.3,15.17|
FC(F)(F)c1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
CS(=O)(=O)c1ccc2N3C(Sc2c1)=NC(=O)\C(=C\c1ccco1)C3=N |c:14|
O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCN(CC1)C(=O)c1ccco1
COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1ccc2OCOc2c1
Fc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1 |w:6.6|
Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Cc1cc(Br)c2nc3CCCCCc3c(C(O)=O)c2c1
COc1ccc(cc1)-n1c2CCCCc2c(=S)nc1-c1ccc(Br)cc1
COc1ccc(cc1OC)-c1csc2nc(oc(=O)c12)-c1ccc(C)cc1
Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl
Cc1cc(C(=O)OCC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c2cccc(C)c2n1
COc1cc([CH+]c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
CCOC(=O)c1sc(NC(=S)NC(=O)C2CCCC2)cc1C
CCOC(=O)c1sc(NC(=S)NC(=O)C2CC2)cc1C
COc1ccc(NC(=O)c2c3CCCc3nc3ccccc23)cc1S(=O)(=O)N1CCOCC1
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2c3CCCc3nc3ccccc23)c1
O=C(Nc1nccs1)c1cc(nc2ccccc12)-c1ccco1
[O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)c2c1
NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc23)cc1
S=c1[nH]ncn2c1cc1oc3ccccc3c21
Cc1cccc2C(=[NH+]Nc3ccc(cc3[N+]([O-])=O)S(=O)(=O)Nc3ccc(Cl)cc3)C(=O)[N-]c12 |w:7.7|
COC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)sc2CCCCCc12
COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cccs1
[O-][N+](=O)c1ccc(Cl)c2NC(C3CC=CC3c12)c1ccccn1 |c:13|
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1[CH+]\C=C\c1ccc(o1)[N+]([O-])=O
Cc1nnc2ccc(nn12)-c1ccc(NC(=O)Cc2cccs2)cc1
CC(=O)c1sc2nc(CSc3nnnn3-c3ccccc3)[nH]c(=O)c2c1C
Oc1csc(=S)n1[N-][CH+]c1ccc(Cl)c(c1)[N+]([O-])=O
CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1|
Cc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1S(=O)(=O)N1CCOCC1
Cc1cc(C(=O)NN=C2CC(=O)c3ccccc23)c(C)n1-c1ccc(F)cc1
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1S(=O)(=O)N1CCOCC1
O=C(Nc1cccc(c1)S(=O)(=O)NC1=NCCCCC1)c1cc(nc2ccccc12)-c1ccco1 |t:14|
CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Cc1occc1-c1nnc2sc(nn12)-c1cc(oc1C)-c1ccc(Cl)cc1
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1ccncc1
COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:27,t:7,9|
COc1ccccc1\C=C\C=c1sc2nc(=O)c(Cc3ccccc3)nn2c1=O
Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O
Cn1cccc1\C=C1\C(=O)NC(=S)N(Cc2ccc(F)cc2)C1=O
COc1cccc(CN=Nc2ncnc3c4cc(C)ccc4[nH]c23)c1OC |w:9.9|
CC1(O)C(=O)C=C2C=C(OC=C2C1=O)c1ccc(cc1)C#N |c:7,10,t:5|
CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)\C)\C
NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1
Cc1ccccc1N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
S=c1[nH]c(Cc2ccccc2)nc2ccccc12
Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCCN4CCCCCC4)nn3c2C)cc1
COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2NC(CSCc3ccc(C)cc3)C(=O)Nc2c1
COc1ccc(cc1)-c1nc2Oc3c(C)ncc(CO)c3Cc2c(SCC(=O)Nc2cccc(O)c2)n1
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(3.08,-3.75,;4.41,-2.97,;5.75,-3.74,;5.75,-5.28,;4.42,-6.05,;7.08,-2.96,;7.08,-1.36,;8.47,-.56,;9.85,-1.39,;11.18,-.62,;10.41,.72,;8.87,.72,;8.1,2.05,;8.87,3.38,;10.41,3.38,;11.18,2.05,;12.72,2.05,;12.72,3.59,;14.26,2.05,;12.72,.51,;8.1,4.72,;7.33,6.05,;6.77,3.95,;9.44,5.49,;12.52,-1.39,;13.89,-.56,;15.29,-1.36,;15.29,-2.96,;13.89,-3.75,;12.52,-2.93,;11.18,-3.7,;9.85,-2.93,;8.47,-3.75,;16.62,-3.74,;16.61,-5.28,;17.94,-6.05,;17.96,-2.97,;19.29,-3.75,)|
CC1CCN(CC1)S(=O)(=O)c1nnc(NC(=O)COc2ccc(C)cc2)s1
COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1
Cc1ccc(cc1)C1CC(=NN1C(=O)CSc1nc2cc(C)ccn2c(=O)n1)c1cccs1 |c:10|
COc1ccc(cc1)C1CC(=NN1C(=O)CSc1nc2cc(C)ccn2c(=O)n1)c1cccs1 |c:11|
COc1ccc(Br)cc1C=c1sc2nc(nn2c1=O)-c1ccco1
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(c1)-n1cccc1
COCCN(C(=O)COC(=O)c1cc2CCCc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1
Brc1ccc(C=CC(=O)OCC(=O)c2ccc3OCC(=O)Nc3c2)o1 |w:5.4|
COc1cccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)c1
COc1ccc(cc1NC(=O)c1cccc(c1)-n1cccc1)S(=O)(=O)N1CCOCC1
Brc1ccc(C=CC(=O)OCc2nc3ccsc3c(=O)[nH]2)o1 |w:5.4|
COc1ccc2oc(C(=O)Nc3ccc(cc3)N3CCOCC3)c(C)c2c1
CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3ccc(NC(=O)CC#N)cc3)cc2)cc1
COc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1
CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
Oc1cccc2Cc3cccc(O)c3C(=O)c12