Compound Name

SMILES String

CC(C)(C)OC(=O)N[C@H](CCN=[N+]=[N-])C(=O)NCc1ccccc1 |r|

CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)C1CCCCC1 |r|

CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)N1CCOCC1 |r|

CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)c1ccco1 |r|

CC(C)NC(=O)[C@H](CCn1ccnc1)NC(=O)c1ccco1 |r|

CC(C)NC(=O)[C@H](CCn1cnc(CC#N)c1)NC(=O)c1ccco1 |r|

CC1(C)NC(=O)N(CCN2CCNCC2)C1=O

CC1(C)NC(=O)N(CCc2nnn[nH]2)C1=O

CC1(C)NC(=O)N(CCn2ccnc2)C1=O

CC1(C)NC(=O)N(CN2CCNCC2)C1=O

CCOc1cccc2n(C)c(nc12)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12 |r|

CCn1c(nc2c(OC)cccc12)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12 |r|

COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccco1 |r|

COC1=C(Br)C(=O)c2ncccc2C1=O |c:2|

COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O |c:2,(25.46,-.06,;26.8,-.83,;28.13,-.06,;28.13,1.48,;26.79,2.25,;29.46,2.25,;29.46,3.79,;30.79,1.49,;32.13,2.25,;33.46,1.48,;33.46,-.05,;32.14,-.83,;30.79,-.06,;29.47,-.83,;29.47,-2.37,;34.79,2.25,;36.13,1.48,;37.47,2.26,;38.8,1.49,;40.13,2.26,;38.81,-.05,;37.46,3.79,;38.79,4.57,;36.13,4.55,;34.79,3.79,;33.46,4.56,;36.13,6.09,;37.46,6.86,;37.46,8.42,;36.12,9.19,;36.12,10.73,;37.45,11.5,;34.8,8.42,;33.46,9.18,;33.46,10.72,;34.79,6.86,;33.46,6.09,)|

COc1cc(cc2nc(-c3cc4ccccc4n3CC(F)(F)F)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|

COc1cc(cc2nc(-c3cc4ccccc4n3CC(F)(F)F)n(C)c12)C(=O)N1CC[C@@H](O)[C@@H](N)C1 |r|

COc1cc(cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|

COc1ccc2n(C)c(nc2c1)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12 |r|

COc1cccc2n(C)c(nc12)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12 |r|

C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(=N)CF)C(N)=O |r|

ClCC(=N)NCC#CC(=O)NCc1cccc(c1)-c1ccccc1

ClCC(=N)NCCCC(=O)NCc1cccc(c1)-c1ccccc1

ClCC(=N)NCCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)c1nc2ccccc2[nH]1 |r|

ClCC(=N)NCCCc1cn(nn1)-c1cccc(c1)-c1ccccc1

ClCC(=N)NCCCc1nc(Cl)c([nH]1)-c1cccc(c1)-c1ccccc1

ClCC(=N)NCCCc1ncc([nH]1)-c1cccc(c1)-c1ccccc1

ClCC(=N)NCCNC(=O)NCc1cccc(c1)-c1ccccc1

ClCC(=N)NCCOC(=O)NCc1cccc(c1)-c1ccccc1

ClCC(=N)NC\C=C\C(=O)NCc1cccc(c1)-c1ccccc1

Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC1CC1 |r|

Cn1cccc1C(=O)N[C@@H](CCn1ccnc1)C(=O)NCc1ccccc1 |r|

Cn1cccc1C(=O)N[C@@H](CCn1ccnn1)C(=O)NCc1ccccc1 |r|

Cn1cccc1C(=O)N[C@@H](Cn1ccnc1)C(=O)NCc1ccccc1 |r|

Cn1cccc1C(=O)N[C@H](CCn1ccnn1)C(=O)NCc1ccccc1 |r|

FCC(=N)NCCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)c1nc2ccccc2[nH]1 |r|

NC(=O)[C@H](CCCN=C(N)CCl)NC(=O)c1ccccc1 |r,w:7.6|

NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6|

NC(CCl)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4|

NC1=C(Br)C(=O)c2cccnc2C1=O |c:1|

NC1=CC(=O)c2ccc(nc2C1=O)-c1cccc(n1)C(O)=O |t:1|

NC1=CC(=O)c2ccc(nc2C1=O)-c1ccccn1 |t:1|

NC1=CC(=O)c2cccnc2C1=O |t:1|

O=C(NCc1ccccc1)[C@@H](CCn1ccnn1)NC(=O)c1ccco1 |r|

O=C(NCc1ccccc1)[C@H](CCn1ccnc1)NC(=O)N1CCCCC1 |r|

O=C(NCc1ccccc1)[C@H](CCn1ccnc1)NC(=O)c1ccco1 |r|

O=C(NCc1ccccc1)[C@H](CCn1ccnn1)NC(=O)c1ccco1 |r|

O=C(NCc1ccccc1)[C@H](Cn1ccnc1)NC(=O)N1CCCCC1 |r|

O=C(OCc1ccccc1)[C@H](Cn1ccnc1)NC(=O)c1ccco1 |r|

S.COC(=O)[C@H](CCN1CCNCC1)NC(=O)c1ccco1 |r|

S.COC(=O)[C@H](CN1CCNCC1)NC(=O)C1CCCCC1 |r|