Compound Name

SMILES String

CC(C)N1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:13|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

CCN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:12|

CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:11|

CCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45

CCSCc1ccc2n3c4c(c5CNC(=O)c5c5c6ccccc6n([C@H]6C[C@](O)(C(=O)OC)[C@]3(C)O6)c45)c2c1

COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCC=C)cc3c3c4CNC(=O)c4c4c5cc(CSCC=C)ccc5n2c4c13

COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSC(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSC(C)C)ccc5n2c4c13

COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCCN(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSCCN(C)C)ccc5n2c4c13

COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CO)cc3c3c4CNC(=O)c4c4c5cc(CO)ccc5n2c4c13

COCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COC)cc5c5c6CNC(=O)c6c(c2c1)c3c45

CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45

CCOCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45

CCCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45

CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r|

CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(CCC)c3c12

CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12

CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(CC)c3c12

CC(C)=CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12 |(9.84,-19.78,;11.36,-19.34,;12.51,-20.42,;11.74,-17.8,;10.6,-16.7,;10.99,-15.12,;12.4,-14.51,;13.78,-15.12,;15.05,-14.23,;14.86,-12.71,;13.49,-12.1,;12.26,-13,;10.75,-12.67,;9.99,-11.33,;10.47,-9.87,;9.19,-8.97,;7.95,-9.87,;6.53,-9.4,;8.43,-11.33,;7.66,-12.67,;6.2,-13,;4.97,-12.1,;3.55,-12.71,;3.36,-14.23,;4.64,-15.12,;6.01,-14.51,;7.44,-15.12,;8.43,-13.99,;9.99,-13.99,)|

CCn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12

OCC(O)Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12

Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12

O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21

CN1Cc2c(C1=O)c1c3ccccc3n(C)c1c1n(CCC#N)c3ccccc3c21

Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12

Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6

OC(=O)CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12

Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CC(F)F)c3c12

O=C1NCc2c1c1c3ccccc3[nH]c1c1n(CCC#N)c3ccccc3c21

Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN=[N+]=[N-])c3c12

NC(=O)CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12

OCC1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCCO1)c1ccccc31)c1ccccc21 |t:8|

OC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)C3)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)CC3)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(CC4CC4)CC3)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCNCC3)c3ccccc23)c2ccccc12 |t:4|

CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:11|

CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O