132 SMILES Strings for External core antigen

Compound Name
SMILES String
CCC(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
CCCC(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
CCCCC(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
CC(C)CC(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
COCCC(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
CC(C)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)C1CCCC1
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Cc1cc(F)cc(c1)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Cc1cc(Cl)cc(c1)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Fc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Clc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
FC(F)(F)Oc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
FC(F)Oc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
FC(F)(F)Oc1cccc(c1)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
FC(F)Oc1cccc(c1)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)c1ccc(cc1)C#N
O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)c1ccncc1
Clc1cc(ccn1)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
COc1cc(ccn1)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Clc1cccc(n1)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Clc1ccc(nc1)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)c1ccnnc1
O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)c1cccnn1
O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)c1ncco1
O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)c1nccs1
CC(C)(C)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
CC(C)(C)CC(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Cc1cc(ccc1N)-c1nnc(o1)-c1ccccc1
COc1cc(ccc1N)-c1nnc(o1)-c1ccccc1
Nc1ccc(cc1F)-c1nnc(o1)-c1ccccc1
CN(C)c1ccc(cc1)-c1nnc(o1)-c1ccccc1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccccn2)C1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2cccnc2)C1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccncc2)C1
Cc1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccnc(NC3COC3)c2)C1
CCN(CC)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
CCN(C)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccnc(c2)N2CCCCC2)C1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccnc(c2)N2CCOCC2)C1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccnc(NC3CC3)c2)C1
CN(C)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
CC(C)N(C)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccnc(c2)N2CCCC2=O)C1
Cc1csc(n1)-c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Cc1cnc(s1)-c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccnc(c2)-c2nccs2)C1
COc1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccnc(c2)C#N)C1
NS(=O)(=O)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
CC(C)Oc1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
FC(F)(F)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
CNS(=O)(=O)Nc1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
CS(=O)(=O)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
CS(=O)(=O)c1cncc(c1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
FC(F)(F)c1cccc(c1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
NS(=O)(=O)c1cccc(c1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
CP(C)(=O)c1cccc(c1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
FC(F)(F)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
Clc1ccc2sc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccnc(c2)C#N)C1
Cc1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
CS(=O)(=O)Cc1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
CC(C)(c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1)S(C)(=O)=O
CCS(=O)(=O)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
NC(=O)Nc1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
NC(=O)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
NC(=O)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc3OCOc3cc2s1
Clc1ccc2sc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)C2CC2)C1
FC(F)(F)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
FC(F)(F)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2ccc(Cl)cc2s1
CC(c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1)S(C)(=O)=O
CC(C)(c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1)S(C)(=O)=O
OC(c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1)C(F)(F)F
Nc1nc(cs1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
Clc1ccc2sc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)N2CCC2)C1
FC1(F)CN(C1)S(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
Clc1ccc2sc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)NC2CCC2)C1
FC1(F)CC(C1)NS(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
FC(F)(F)C1CC(C1)NS(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
CS(=O)(=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
CS(=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
C[S@](=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1 |r|
C[S@@](=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1 |r|
CSc1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=O)C1CC1
Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=O)(=O)C1CC1
Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=O)CC1CC1
Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=O)(=O)CC1CC1
Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(Br)o1
NS(=O)(=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=N)(=O)C1CC1
CS(=N)(=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
C[S@@](=N)(=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1 |r|
C[S@](=N)(=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1 |r|
Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=N)(=O)CC1CC1
Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=O)(=O)CC1COC1
Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=N)(=O)CC1COC1
CS(=O)(=O)Cc1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
CS(=N)(=O)Cc1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
NS(=O)(=O)Cc1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1cccc(Br)c1
Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(Br)cc1
CSc1cccc(c1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
CS(=O)(=O)c1cccc(c1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
FC(F)(F)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)C#N)C1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(Br)o2)C1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2cc(Br)co2)C1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2occc2Br)C1
Clc1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
CC(C)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
COc1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
COCc1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
OC(C1CC1)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
NC(O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
FC(F)(F)c1cc([nH]n1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Cn1cc(cn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
CS(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
CS(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
CS(=O)(=O)c1ccc(o1)C(=O)NC1C[C@@]2(C1)C[C@@H](C2)c1nc2cc(Cl)ccc2o1 |r|
CS(=O)(=O)c1ccc(o1)C(=O)NC1C[C@@]2(C1)C[C@@H](C2)c1nc2cc(Cl)ccc2o1 |r|
CCS(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)C2CC2)C1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)C2COC2)C1
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)CC2CC2)C1
Clc1ccc2oc(nc2c1)[C@H]1C[C@]2(C[C@@H](C2)NC(=O)c2ccc(o2)[S@@](=O)CC2CC2)C1 |r,wU:12.34,14.18,24.27,wD:10.11,(-4.5,4.71,;-3.17,5.48,;-3.17,7.02,;-1.83,7.79,;-.5,7.02,;.97,7.5,;1.87,6.25,;.97,5.01,;-.5,5.48,;-1.83,4.71,;3.41,6.25,;4.5,5.17,;5.59,6.25,;6.68,5.17,;7.77,6.25,;6.68,7.34,;9.31,6.25,;10.08,7.59,;9.31,8.92,;11.62,7.59,;12.52,6.34,;13.99,6.82,;13.99,8.36,;12.52,8.83,;15.23,9.26,;15.23,10.8,;16.57,8.49,;17.9,9.26,;18.53,10.67,;19.43,9.42,;4.5,7.34,)|
Clc1ccc2oc(nc2c1)[C@H]1C[C@]2(C[C@@H](C2)NC(=O)c2ccc(o2)[S@](=O)CC2CC2)C1 |r,wU:12.34,14.18,wD:10.11,24.27,(-4.5,4.71,;-3.17,5.48,;-3.17,7.02,;-1.83,7.79,;-.5,7.02,;.97,7.5,;1.87,6.25,;.97,5.01,;-.5,5.48,;-1.83,4.71,;3.41,6.25,;4.5,5.17,;5.59,6.25,;6.68,5.17,;7.77,6.25,;6.68,7.34,;9.31,6.25,;10.08,7.59,;9.31,8.92,;11.62,7.59,;12.52,6.34,;13.99,6.82,;13.99,8.36,;12.52,8.83,;15.23,9.26,;15.23,10.8,;16.57,8.49,;17.9,9.26,;18.53,10.67,;19.43,9.42,;4.5,7.34,)|
Clc1ccc2oc(nc2c1)[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2ccc(o2)[S@@](=O)CC2CC2)C1 |r,wU:10.11,24.27,wD:12.13,14.18,(-4.5,4.71,;-3.17,5.48,;-3.17,7.02,;-1.83,7.79,;-.5,7.02,;.97,7.5,;1.87,6.25,;.97,5.01,;-.5,5.48,;-1.83,4.71,;3.41,6.25,;4.5,7.34,;5.59,6.25,;6.68,7.34,;7.77,6.25,;6.68,5.17,;9.31,6.25,;10.08,7.59,;9.31,8.92,;11.62,7.59,;12.52,6.34,;13.99,6.82,;13.99,8.36,;12.52,8.83,;15.23,9.26,;15.23,10.8,;16.57,8.49,;17.9,9.26,;18.53,10.67,;19.43,9.42,;4.5,5.17,)|
Clc1ccc2oc(nc2c1)[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2ccc(o2)[S@](=O)CC2CC2)C1 |r,wU:10.11,wD:12.13,14.18,24.27,(-4.5,4.71,;-3.17,5.48,;-3.17,7.02,;-1.83,7.79,;-.5,7.02,;.97,7.5,;1.87,6.25,;.97,5.01,;-.5,5.48,;-1.83,4.71,;3.41,6.25,;4.5,7.34,;5.59,6.25,;6.68,7.34,;7.77,6.25,;6.68,5.17,;9.31,6.25,;10.08,7.59,;9.31,8.92,;11.62,7.59,;12.52,6.34,;13.99,6.82,;13.99,8.36,;12.52,8.83,;15.23,9.26,;15.23,10.8,;16.57,8.49,;17.9,9.26,;18.53,10.67,;19.43,9.42,;4.5,5.17,)|
Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)CC2CC2)C1