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314 SMILES Strings for Interleukin-2 (IL-2)

Compound NameSMILES String
BDBM128384 Fc1cccc(F)c1NC(=O)c1ccc(s1)-c1cc(ccc1Cl)C(F)(F)F
BDBM128385 Cc1cnccc1NC(=O)c1ccc(s1)-c1cc(ccc1Cl)C(F)(F)F
BDBM128386 COC(=O)c1ccc(C)c(c1)-c1ccc(s1)C(=O)Nc1c(F)cccc1F
BDBM128387 COC(=O)c1ccc(C)c(c1)-c1ccc(s1)C(=O)Nc1ccncc1C
BDBM128388 Fc1cccc(F)c1C(=O)Nc1ccc(s1)-c1cccc(c1)C(F)(F)F
BDBM128389 COC(=O)c1ccc(C)c(c1)-c1ccc(NC(=O)c2c(F)cccc2F)s1
BDBM128390 Cc1ccc(cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1)-c1ncco1
BDBM128391 COC(=O)c1cccc(c1)-c1sc(NC(=O)c2c(F)cccc2F)cc1C
BDBM128392 Fc1cccc(F)c1C(=O)Nc1ccc(s1)-c1cccc(c1)-c1cnco1
BDBM50229786 [#6]-[#6](-[#6])-[#6]-[#6](\[#7+]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1cc(nn1-[#6])-c1ccc(-[#8]-[#6]-c2ccc(o2)-[#6](-[#8-])=O)c(Cl)c1Cl
BDBM50241242 OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50409029 OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50409313 COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O |r|
BDBM50021396 [H][C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@@H](CC(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)\C1=C\C)C(=O)OC |r,c:16|
BDBM50021397 COc1ccc(cc1O)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O |r|
BDBM50021398 COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
BDBM50021399 NC(=N)NC(C1CCCCC1)C(=O)NCC(=O)N1CCC(CC1)c1cc(n[nH]1)-c1cccc(Cl)c1Cl
BDBM50021400 [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2)O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:8|
BDBM161815 CNc1nc2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2o1 |r|
BDBM161800 CO[C@@H](C)COc1cc(F)c(Nc2ncc(Cl)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161844 COc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161778 COc1cc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)ccc1OCCO |r|
BDBM161860 Cn1nc2n(-c3cc(Nc4ncc(F)c(N[C@@H]5C[C@@H]6CCCN6C(C)(C)C5)n4)ccc3OCC2(C)O)c1=O |r|
BDBM161650 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OC2CCOC2)c1=O |r|
BDBM161903 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC(N)=O)c1=O |r|
BDBM161837 Cc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161790 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCCN)c1=O |r|
BDBM161161 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)ccc2O[C@H]2CCOC2)c1=O |r|
BDBM161722 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC2CCOCC2)c1=O |r|
BDBM161430 C[C@@H](O)COc1cc(F)c(Nc2ncc(C#N)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161897 COCC1(COC)Oc2ccc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)cc2-n2nnnc12 |r|
BDBM161893 CC1(C)CC[C@H]2C[C@H](CCN12)Nc1nc(Nc2ccc(OC3CC(O)C3)c(Cl)c2)ncc1F |r,wD:5.11,7.12,(-9.12,1.55,;-9.89,.21,;-10.66,1.55,;-10.8,-1.03,;-9.89,-2.28,;-8.43,-1.8,;-7.09,-2.57,;-5.76,-1.8,;-5.76,-.26,;-7.09,.51,;-8.43,-.26,;-4.43,-2.57,;-3.09,-1.8,;-1.76,-2.57,;-.43,-1.8,;.91,-2.57,;2.24,-1.8,;2.24,-.26,;3.58,.51,;4.91,-.26,;6.24,.51,;7.58,1.28,;9.06,.88,;9.46,2.37,;10.8,3.14,;7.98,2.76,;4.91,-1.8,;6.24,-2.57,;3.58,-2.57,;-.43,-.26,;-1.76,.51,;-3.09,-.26,;-4.43,.51,)|
BDBM161777 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCCCO)c(c2)-n2cnnn2)ncc1F |r|
BDBM161762 CC(O)COc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161891 CC1(C)CC[C@H]2C[C@H](CCN12)Nc1nc(Nc2ccc(OC3CC(C3)OCc3ccccc3)c(Cl)c2)ncc1F |r,wD:5.11,7.12,(-11.79,.39,;-12.56,-.94,;-13.33,.39,;-13.46,-2.19,;-12.56,-3.43,;-11.1,-2.96,;-9.76,-3.73,;-8.43,-2.96,;-8.43,-1.42,;-9.76,-.65,;-11.1,-1.42,;-7.09,-3.73,;-5.76,-2.96,;-4.43,-3.73,;-3.09,-2.96,;-1.76,-3.73,;-.43,-2.96,;-.43,-1.42,;.91,-.65,;2.24,-1.42,;3.58,-.65,;4.91,.12,;6.4,-.28,;6.8,1.21,;5.31,1.61,;8.13,1.98,;9.46,1.21,;10.8,1.98,;12.13,1.21,;13.46,1.98,;13.46,3.52,;12.13,4.29,;10.8,3.52,;2.24,-2.96,;3.58,-3.73,;.91,-3.73,;-3.09,-1.42,;-4.43,-.65,;-5.76,-1.42,;-7.09,-.65,)|
BDBM161652 Cn1nnn(-c2cc(Nc3ncc(C#N)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OC2CCOC2)c1=O |r|
BDBM161054 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161677 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc3OC4(CCOCC4)c4nnnn4-c3c2)ncc1F |r|
BDBM161829 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cccc(c2)-n2nnnc2SCCO)ncc1F |r|
BDBM161073 Cn1nnn(-c2cc(Nc3ncc(F)c(NC4CCN5CCCC5C4)n3)c(F)cc2C2CC2)c1=O
BDBM160829 CC1(C)C[C@H](C[C@H]2CCCN12)Nc1nc(Nc2ccc3OC(C)(C)c4nnnn4-c3c2)ncc1F |r|
BDBM161809 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc3OC(C)(C)c4nn(C(CO)CCl)c(=O)n4-c3c2)ncc1F |r|
BDBM160845 COc1cc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc(c1)-n1nnnc1C |r|
BDBM160847 Cc1nnnn1-c1cc(Nc2ncc(F)c(NC3CC4CCCN4C(C)(C)C3)n2)cnc1C
BDBM160848 Cn1nnn(-c2cc(Nc3ncc(F)c(NC4CC5CCCN5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O
BDBM161048 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@H]4C[C@H]5CCCN5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161049 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@H]5CCCN5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161053 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161068 COc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161069 CC(C)Oc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161070 Fc1cnc(Nc2cc(c(cc2F)C2CC2)-n2cnnn2)nc1NC1CCN2CCCC2C1
BDBM161071 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4CCN5C(CCC5(C)C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161072 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@H]4CCN5C(CCC5(C)C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161074 Cc1nnnn1-c1cc(Nc2ncc(F)c(NC3CCN4CCCC4C3)n2)c(F)cc1C1CC1
BDBM161077 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCC(=O)N5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161078 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@H]4C[C@@H]5CCC(=O)N5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161079 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@H]5CCC(=O)N5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161080 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4CCN5[C@H](CCC5(C)C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161081 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@H]4CCN5[C@H](CCC5(C)C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161082 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4CCN5[C@@H](CCC5(C)C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161083 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@H]4CCN5[C@@H](CCC5(C)C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM168227 Cn1nnn(-c2cc(Nc3ncc(Cl)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC(C)(C)O)c1=O |r|
BDBM161084 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@H]4CC5CCCN5C(C)(C)C4)n3)ccc2OC2COC2)c1=O |r|
BDBM161086 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4CC5CCCN5C(C)(C)C4)n3)ccc2OC2COC2)c1=O |r|
BDBM161100 Cn1nnn(-c2cc(Nc3ncc(F)c(NC4CC5CCCN5C(C)(C)C4)n3)ccc2OC2COC2)c1=O
BDBM161107 CC1(C)CC(CC2CCCN12)Nc1nc(Nc2ccc(OC3CCOCC3)c(c2)C#N)ncc1F
BDBM161123 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@H]4C[C@@H]5CC(F)(F)CN5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161125 CC1(C)C[C@H](C[C@@H]2CC(F)(F)CN12)Nc1nc(Nc2cc(c(cc2F)C2CC2)-n2cnnn2)ncc1F |r|
BDBM161144 Cc1ccc(Nc2ncc(F)c(N[C@H]3C[C@@H]4CC(F)(F)CN4C(C)(C)C3)n2)cc1C#N |r|
BDBM161159 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CC(F)(F)CN5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161160 CC1(C)C[C@@H](C[C@@H]2CC(F)(F)CN12)Nc1nc(Nc2cc(c(cc2F)C2CC2)-n2cnnn2)ncc1F |r|
BDBM161162 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)ccc2O[C@@H]2CCOC2)c1=O |r|
BDBM161163 Cn1nnn(-c2cc(Nc3ncc(F)c(NC4CC5CCCN5C(C)(C)C4)n3)ccc2O[C@@H]2CCOC2)c1=O |r|
BDBM161165 Cn1nnn(-c2cc(Nc3ncc(F)c(NC4CC5CCCN5C(C)(C)C4)n3)ccc2OC2CCOCC2)c1=O
BDBM161166 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)ccc2OC2CCOCC2)c1=O |r|
BDBM161167 CC1(C)CC(CC2CCCN12)Nc1nc(Nc2cc(c(cc2F)C2CC2)-n2cnnn2)ncc1F
BDBM161168 CC1(C)C[C@@H](C[C@H]2CCCN12)Nc1nc(Nc2cc(c(cc2F)C2CC2)-n2cnnn2)ncc1F |r|
BDBM161169 CC1(C)C[C@H](C[C@@H]2CCCN12)Nc1nc(Nc2cc(c(cc2F)C2CC2)-n2cnnn2)ncc1F |r|
BDBM161170 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cc(c(cc2F)C2CC2)-n2cnnn2)ncc1C#N |r|
BDBM161171 CC1(C)C[C@@H](C[C@H]2CCCN12)Nc1nc(Nc2ccc(O[C@@H]3CCOC3)c(c2)C#N)ncc1F |r|
BDBM161172 CC1(C)C[C@@H](C[C@H]2CCCN12)Nc1nc(Nc2ccc(O[C@H]3CCOC3)c(c2)C#N)ncc1F |r|
BDBM161173 CC1(C)C[C@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(O[C@@H]3CCOC3)c(c2)C#N)ncc1F |r|
BDBM161174 CC1(C)C[C@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(O[C@H]3CCOC3)c(c2)C#N)ncc1F |r|
BDBM161175 CC1(C)C[C@H](C[C@H]2CCCN12)Nc1nc(Nc2ccc(O[C@@H]3CCOC3)c(c2)C#N)ncc1F |r|
BDBM161176 CC1(C)C[C@H](C[C@H]2CCCN12)Nc1nc(Nc2ccc(O[C@H]3CCOC3)c(c2)C#N)ncc1F |r|
BDBM161177 CC1(C)CC(CC2CCCN12)Nc1nc(Nc2ccc(OC3COC3)c(c2)C#N)ncc1F
BDBM161178 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5C[C@@H](F)CN5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161179 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@H]4C[C@@H]5C[C@H](F)CN5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161180 Cn1nnn(-c2cc(Nc3ncc([N+]#[C-])c(N[C@H]4C[C@H]5CCCN5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161181 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5C[C@H](F)CN5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161209 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5C[C@@H](O)CN5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161210 CC1C2CCCN2C(C)(C)CC1Nc1nc(Nc2cc(c(cc2F)C2CC2)-n2nnn(C)c2=O)ncc1F
BDBM161211 CC1C2CCCN2C(C)(C)CC1Nc1nc(Nc2ccc(F)c(c2)-n2nnnc2C)ncc1F
BDBM161214 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cc(ccc2F)S(F)(F)(F)(F)F)ncc1F |r|
BDBM161390 CC1(C)C[C@H](C[C@H]2CCCN12)Nc1nc(Nc2cc(ccc2F)S(F)(F)(F)(F)F)ncc1F |r|
BDBM161391 CC1C2CCCN2C(C)(C)CC1Nc1nc(Nc2cc(N(C)C(C)=O)c(cc2F)C2CC2)ncc1F
BDBM161393 CC1C2CCCN2C(C)(C)CC1Nc1nc(Nc2cc(N(C)C(=O)N(C)C)c(cc2F)C2CC2)ncc1F
BDBM161394 CC1C2CCCN2C(C)(C)CC1Nc1nc(Nc2cc(OC(F)F)c(cc2F)C2CC2)ncc1F
BDBM161398 CC1C2CCCN2C(C)(C)CC1Nc1nc(Nc2cc(c(cc2F)C2CC2)-n2nnn(C)c2=O)ncc1C#N
BDBM161408 Cn1nnn(-c2cc(Nc3ncc(C#N)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCCO)c1=O |r|
BDBM161412 C[C@H](O)COc1cc(F)c(Nc2ncc(C#N)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161413 Cn1nnn(-c2cc(Nc3ncc(C#N)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC(C)(C)O)c1=O |r|
BDBM161414 C[C@H](O)COc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161417 C[C@@H](O)COc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161418 Cn1nnn(-c2cc(Nc3ncc(C#N)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)ccc2OC(C)(C)CO)c1=O |r|
BDBM161420 Cn1nnn(-c2cc(Nc3ncc(C#N)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OC(C)(C)CO)c1=O |r|
BDBM161421 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OC(C)(C)CO)c1=O |r|
BDBM161422 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)ccc2OC(C)(C)CO)c1=O |r|
BDBM161423 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC(C)(C)O)c1=O |r|
BDBM161424 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OC2COC2)c1=O |r|
BDBM161428 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2O)c1=O |r|
BDBM161431 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2Br)c1=O |r|
BDBM161432 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2C=C)c1=O |r|
BDBM161441 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2CCO)c1=O |r|
BDBM161445 CC(O)c1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161454 CCc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161457 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2C#CCO)c1=O |r|
BDBM161458 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2CCCO)c1=O |r|
BDBM161459 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2C#N)c1=O |r|
BDBM161474 C[C@H](CO)Oc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM160830 CC1(C)C[C@@H](C[C@H]2CCCN12)Nc1nc(Nc2ccc3OC(C)(C)c4nnnn4-c3c2)ncc1F |r|
BDBM160831 CC1(C)C[C@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc3OC(C)(C)c4nnnn4-c3c2)ncc1F |r|
BDBM160833 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc3OC(C)(C)c4nnnn4-c3c2)ncc1F |r|
BDBM160834 CC1(C)CC(CC2CCCN12)Nc1nc(Nc2cc(F)c3OC(C)(C)c4nnnn4-c3c2)ncc1F
BDBM160835 CC(C)N1CCC(CC1)Oc1ccc(Nc2ncc(F)c(NC3CC4CCCN4C(C)(C)C3)n2)cc1OC(F)F
BDBM160836 CC(C)N1CCC(CC1)Oc1ccc(Nc2ncc(F)c(N[C@H]3C[C@H]4CCCN4C(C)(C)C3)n2)cc1OC(F)F |r|
BDBM161476 CC1(C)CC(C[C@@H]2CCCN12)Nc1nc(Nc2ccc(N3CCC4(COC4)CC3)c(c2)C#N)ncc1F |r|
BDBM161480 CC1(C)CC(C[C@@H]2CCCN12)Nc1nc(Nc2ccc(N3CC4(COC4)C3)c(c2)C#N)ncc1F |r|
BDBM160837 CC(C)N1CCC(CC1)Oc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@H]4CCCN4C(C)(C)C3)n2)cc1OC(F)F |r|
BDBM160838 CC(C)N1CCC(CC1)Oc1ccc(Nc2ncc(F)c(N[C@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1OC(F)F |r|
BDBM160839 CC(C)N1CCC(CC1)Oc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1OC(F)F |r|
BDBM160840 COc1cc(Nc2ncc(F)c(N[C@H]3C[C@H]4CCCN4C(C)(C)C3)n2)cc(c1)-n1nnnc1C |r|
BDBM160842 COc1cc(Nc2ncc(F)c(N[C@@H]3C[C@H]4CCCN4C(C)(C)C3)n2)cc(c1)-n1nnnc1C |r|
BDBM160843 COc1cc(Nc2ncc(F)c(N[C@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc(c1)-n1nnnc1C |r|
BDBM161721 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC2COCCO2)c1=O |r|
BDBM161724 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC(=O)C(O)=O)c1=O |r|
BDBM161725 COCCOc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1C#N |r|
BDBM161726 CC1(COc2ccc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)cc2C#N)COC1 |r|
BDBM161727 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCC3(CO)COC3)c(c2)C#N)ncc1F |r|
BDBM161833 CS(=O)c1nnnn1-c1cccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)c1 |r|
BDBM161835 Cc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nn[nH]c1=O |r|
BDBM161839 Cc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(CCO)c1=O |r|
BDBM161728 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCC3COC3)c(c2)C#N)ncc1F |r|
BDBM161729 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCC3CCO3)c(c2)C#N)ncc1F |r|
BDBM161730 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCC3COCCO3)c(c2)C#N)ncc1F |r|
BDBM161732 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCC3CCOCC3)c(c2)C#N)ncc1F |r|
BDBM161734 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OC3COC3)c(c2)C#N)ncc1F |r|
BDBM161735 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(Br)c(c2)C#N)ncc1F |r|
BDBM161736 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cc(C#N)c(cc2F)C2CC2)ncc1Cl |r|
BDBM161842 Cc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C2COC2)c1=O |r|
BDBM161843 COc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnnc1=O |r|
BDBM161847 COc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(CCO)c1=O |r|
BDBM161848 CSc1nnnn1-c1cc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)ccc1C |r|
BDBM161076 Cn1nnn(-c2cc(Nc3ncc(F)c(NC4CC5CCC(C)(C)N5C(=O)C4)n3)c(F)cc2C2CC2)c1=O
BDBM161737 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(Cl)c(c2)-n2nnnc2C2CC2)ncc1Cl |r|
BDBM161738 COc1cc(Nc2ncc(Cl)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc(OC)c1OC |r|
BDBM161739 CCOC(=O)C(C)Oc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161741 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OC2CCOC2=O)c1=O |r|
BDBM161850 Cc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnnc1SCCO |r|
BDBM161851 Cn1nc2n(-c3cc(Nc4ncc(F)c(N[C@@H]5C[C@@H]6CCCN6C(C)(C)C5)n4)ccc3OC22CCOCC2)c1=O |r|
BDBM161852 COc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnnc1OC1COC1 |r|
BDBM161853 COc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C2COC2)c1=O |r|
BDBM161854 Cc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnnc1S(C)(=O)=O |r|
BDBM161855 Cn1nc2n(-c3cc(Nc4ncc(F)c(N[C@@H]5C[C@@H]6CCCN6C(C)(C)C5)n4)ccc3OC2(CO)CO[Si](C)(C)C(C)(C)C)c1=O |r|
BDBM161746 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OC[C@H](O)CO)c1=O |r|
BDBM161748 COCCOCCOc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1C#N |r|
BDBM161749 CC(=O)O[C@@H]1COC(Oc2cc(F)c(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)cc2-n2nnn(C)c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
BDBM161751 CN(C)CCOc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161753 CN(C)CCOc1cc(F)c(cc1-n1nnn(C)c1=O)N(CCN(C)C)c1ncc(F)c(N[C@@H]2C[C@@H]3CCCN3C(C)(C)C2)n1 |r|
BDBM161856 Cn1nc2n(-c3cc(Nc4ncc(F)c(N[C@@H]5C[C@@H]6CCCN6C(C)(C)C5)n4)ccc3OC2(CO)CO)c1=O |r|
BDBM161857 Cc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(CC(C)(C)O)c1=O |r|
BDBM161858 COc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(CC(C)(C)O)c1=O |r|
BDBM161859 Cn1nc2COc3ccc(Nc4ncc(F)c(N[C@@H]5C[C@@H]6CCCN6C(C)(C)C5)n4)cc3-n2c1=O |r|
BDBM161861 Cn1nc2n(-c3cc(Nc4ncc(F)c(N[C@@H]5C[C@@H]6CCCN6C(C)(C)C5)n4)ccc3OC22COC2)c1=O |r|
BDBM161754 CCN(CC)CCOc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161757 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCCN2CCOCC2)c1=O |r|
BDBM161758 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(O)c(c2)-n2cnnn2)ncc1F |r|
BDBM161759 CC(=O)O[C@@H]1COC(Oc2ccc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)cc2C#N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
BDBM161760 COCCOCCOc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161761 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC(O)CO)c1=O |r|
BDBM161866 COCC1(COC)Oc2ccc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)cc2-n2c1nn(C)c2=O |r|
BDBM161867 CC1(C)CC[C@H]2C[C@H](CCN12)Nc1nc(Nc2ccc(N3CCOCC3)c(OC(F)F)c2)ncc1F |r|
BDBM161869 CC1(C)CC[C@H]2C[C@H](CCN12)Nc1nc(Nc2ccc(OC3COC3)c(OC(F)F)c2)ncc1F |r|
BDBM161870 COc1ccc(Nc2ncc(F)c(N[C@H]3CCN4[C@@H](CCC4(C)C)C3)n2)cc1OC(F)F |r|
BDBM161539 CC1(C)CC(C[C@@H]2CCCN12)Nc1nc(Nc2ccc(N3CCN(CC3)S(C)(=O)=O)c(c2)C#N)ncc1F |r|
BDBM161540 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc3N(CC4CC4)C(=O)COc3c2)ncc1F |r|
BDBM161541 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc3N(CC4CC4)C(=O)C(C)(C)Oc3c2)ncc1F |r|
BDBM161763 CC(O)COc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1C#N |r|
BDBM161764 COCCOc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1cnnn1 |r|
BDBM161765 CC1(COc2ccc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)cc2-n2cnnn2)COC1 |r|
BDBM161766 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCC3(CO)COC3)c(c2)-n2cnnn2)ncc1F |r|
BDBM161767 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCCO)c(c2)-n2cnnn2)ncc1F |r|
BDBM161871 CC1CN(CC(C)O1)c1ccc(Nc2ncc(F)c(N[C@H]3CCN4[C@@H](CCC4(C)C)C3)n2)cc1OC(F)F |r|
BDBM161873 CC1(C)CC[C@H]2C[C@H](CCN12)Nc1nc(Nc2cc(c(cc2F)C2CC2)-n2nnnc2C2COC2)ncc1F |r|
BDBM161881 CC1(C)CC[C@H]2C[C@H](CCN12)Nc1nc(Nc2ccc(N3CC4(COC4)C3)c(OC(F)F)c2)ncc1F |r|
BDBM161884 CC1(C)CC[C@H]2C[C@H](CCN12)Nc1nc(Nc2ccc(OCCO)c(OC(F)F)c2)ncc1F |r|
BDBM161885 CC1(C)CC[C@H]2C[C@H](CCN12)Nc1nc(Nc2ccc(OC3CC(O)C3)c(c2)C#N)ncc1F |r,wD:5.11,7.12,(-10.66,1.65,;-9.89,.32,;-9.12,1.65,;-10.8,-.93,;-9.89,-2.18,;-8.43,-1.7,;-7.09,-2.47,;-5.76,-1.7,;-5.76,-.16,;-7.09,.61,;-8.43,-.16,;-4.43,-2.47,;-3.09,-1.7,;-1.76,-2.47,;-.42,-1.7,;.91,-2.47,;2.24,-1.7,;2.24,-.16,;3.58,.61,;4.91,-.16,;6.24,.61,;6.4,2.14,;7.6,3.11,;6.63,4.31,;6.79,5.84,;5.44,3.34,;4.91,-1.7,;3.58,-2.47,;6.24,-2.47,;7.58,-3.24,;-.42,-.16,;-1.76,.61,;-3.09,-.16,;-4.43,.61,)|
BDBM161886 CC1(C)CC[C@H]2C[C@H](CCN12)Nc1nc(Nc2ccc(OC3CC(O)C3)c(c2)C(F)(F)F)ncc1F |r,wD:5.11,7.12,(-10.66,2,;-9.89,.66,;-9.12,2,;-10.8,-.58,;-9.89,-1.83,;-8.43,-1.35,;-7.09,-2.12,;-5.76,-1.35,;-5.76,.19,;-7.09,.96,;-8.43,.19,;-4.43,-2.12,;-3.09,-1.35,;-1.76,-2.12,;-.42,-1.35,;.91,-2.12,;2.24,-1.35,;2.24,.19,;3.58,.96,;4.91,.19,;6.24,.96,;7.58,1.73,;9.06,1.33,;9.46,2.82,;10.8,3.59,;7.98,3.21,;4.96,-1.38,;3.58,-2.12,;6.29,-2.15,;7.62,-2.92,;7.06,-.82,;5.52,-3.48,;-.42,.19,;-1.76,.96,;-3.09,.19,;-4.43,.96,)|
BDBM161747 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCCO)c(c2)C#N)ncc1F |r|
BDBM161626 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(N3CCOCC3)c(c2)C#N)ncc1F |r|
BDBM161643 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(N3CCC(O)CC3)c(c2)C#N)ncc1F |r|
BDBM161649 CN1CCN(CC1)c1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1C#N |r|
BDBM161768 CC(O)COc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1cnnn1 |r|
BDBM161769 COCCOCCOc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1cnnn1 |r|
BDBM161770 COc1cc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)ccc1O |r|
BDBM161771 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)c(c2)C#N)ncc1F |r|
BDBM161773 CC1(C)C[C@@H](C[C@@H]2CCCN12)N(CC(O)CO)c1nc(Nc2ccc(OCC(O)CO)c(c2)C#N)ncc1F |r|
BDBM161887 CC1(C)CC[C@H]2C[C@H](CCN12)Nc1nc(Nc2ccc(OC3CC(O)C3)c(OC(F)F)c2)ncc1F |r,wD:5.11,7.12,(-10.66,1.61,;-9.89,.28,;-9.12,1.61,;-10.8,-.97,;-9.89,-2.21,;-8.43,-1.74,;-7.09,-2.51,;-5.76,-1.74,;-5.76,-.2,;-7.09,.57,;-8.43,-.2,;-4.43,-2.51,;-3.09,-1.74,;-1.76,-2.51,;-.42,-1.74,;.91,-2.51,;2.24,-1.74,;2.24,-.2,;3.58,.57,;4.91,-.2,;6.24,.57,;7.58,1.34,;9.06,.94,;9.46,2.43,;10.8,3.2,;7.98,2.83,;4.96,-1.77,;6.29,-2.54,;7.62,-1.77,;7.63,-.23,;8.96,-2.54,;3.58,-2.51,;-.42,-.2,;-1.76,.57,;-3.09,-.2,;-4.43,.57,)|
BDBM161888 CC1(C)CC[C@H]2C[C@H](CCN12)Nc1nc(Nc2ccc(OCCCO)c(OC(F)F)c2)ncc1F |r|
BDBM161889 CC1(C)CC[C@H]2C[C@H](CCN12)Nc1nc(Nc2ccc(N3CC(O)C3)c(OC(F)F)c2)ncc1F |r|
BDBM161890 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@H]4CCN5[C@@H](CCC5(C)C)C4)n3)c(F)cc2OC2CC(O)C2)c1=O |r,wD:20.19,16.15,(10.26,-2.89,;8.73,-3.05,;7.96,-4.39,;6.45,-4.07,;6.29,-2.54,;4.96,-1.77,;3.58,-2.51,;2.24,-1.74,;.91,-2.51,;-.42,-1.74,;-.42,-.2,;-1.76,.57,;-3.09,-.2,;-4.43,.57,;-3.09,-1.74,;-4.43,-2.51,;-5.76,-1.74,;-5.76,-.2,;-7.09,.57,;-8.43,-.2,;-8.43,-1.74,;-9.89,-2.21,;-10.8,-.97,;-9.89,.28,;-10.66,1.61,;-9.12,1.61,;-7.09,-2.51,;-1.76,-2.51,;2.24,-.2,;.91,.57,;3.58,.57,;4.91,-.2,;6.24,.57,;6.08,2.1,;7.05,3.3,;5.85,4.27,;5.69,5.8,;4.89,3.07,;7.7,-1.91,;8.02,-.4,)|
BDBM161654 Cn1nnn(-c2cc(Nc3ncc(C#N)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OC2COC2)c1=O |r|
BDBM161655 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OC2CCOCC2)c1=O |r|
BDBM161656 Cn1nnn(-c2cc(Nc3ncc(C#N)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OC2CCOCC2)c1=O |r|
BDBM161657 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(N3CCN(CC3)C3COC3)c(c2)C#N)ncc1F |r|
BDBM161658 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)ccc2N2CCN(CC2)C2COC2)c1=O |r|
BDBM161774 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCC(O)CO)c(c2)C#N)ncc1F |r|
BDBM161775 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCCCO)c(c2)C#N)ncc1F |r|
BDBM161776 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCC(O)CO)c(c2)-n2cnnn2)ncc1F |r|
BDBM161896 CN1C(=O)COc2ccc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)cc12 |r|
BDBM161659 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OC3CCNCC3)c(c2)C(F)(F)F)ncc1F |r|
BDBM161660 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(O[C@@H]3CCNC[C@H]3F)c(c2)C(F)(F)F)ncc1F |r|
BDBM161661 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OC3CCN(CC3)C3COC3)c(c2)C(F)(F)F)ncc1F |r|
BDBM161662 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(O[C@H]3CCNC[C@@H]3F)c(c2)C(F)(F)F)ncc1F |r|
BDBM161663 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(O[C@@H]3CCN(C[C@H]3F)C3COC3)c(c2)C(F)(F)F)ncc1F |r|
BDBM161664 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(O[C@H]3CCNC[C@@H]3F)c(Cl)c2)ncc1F |r|
BDBM161784 C[C@H](CO)COc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161785 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCCO)c(c2)-n2cnnn2)ncc1Cl |r|
BDBM161899 CN1C(=O)C(C)(C)Oc2ccc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)cc12 |r|
BDBM161900 COCCN1C(=O)C(C)(C)Oc2ccc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)cc12 |r|
BDBM161901 COC(=O)c1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1C(F)(F)F |r|
BDBM161902 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(NCC(O)CCl)c(c2)C(F)(F)F)ncc1F |r|
BDBM161665 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OC3CCNCC3O)c(Cl)c2)ncc1F |r|
BDBM161666 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc3OC(CO)(CO)c4nnnn4-c3c2)ncc1F |r|
BDBM161667 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc3OC4(COC4)c4nnnn4-c3c2)ncc1F |r|
BDBM161668 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc3OCC(C)(O)c4nnnn4-c3c2)ncc1F |r|
BDBM161669 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OC3CCNCC3)c(OC(F)F)c2)ncc1F |r|
BDBM161670 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCCO)c(c2)-n2nnnc2C2CC2)ncc1F |r|
BDBM161787 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OC2CC(C2)OCc2ccccc2)c1=O |r,wD:18.22,16.15,(7.95,-5.7,;6.61,-4.93,;5.71,-6.17,;4.24,-5.7,;4.24,-4.16,;2.91,-3.39,;1.58,-4.16,;.24,-3.39,;-1.09,-4.16,;-2.43,-3.39,;-2.43,-1.85,;-3.76,-1.08,;-5.09,-1.85,;-6.43,-1.08,;-5.09,-3.39,;-6.43,-4.16,;-7.76,-3.39,;-9.09,-4.16,;-10.43,-3.39,;-11.89,-3.86,;-12.8,-2.62,;-11.89,-1.37,;-10.43,-1.85,;-9.09,-1.08,;-9.86,.26,;-8.32,.26,;-7.76,-1.85,;-3.76,-4.16,;.24,-1.85,;-1.09,-1.08,;1.58,-1.08,;2.91,-1.85,;4.24,-1.08,;5.58,-.31,;7.06,-.71,;7.46,.78,;5.98,1.18,;8.8,1.55,;8.8,3.09,;10.13,3.86,;11.46,3.09,;12.8,3.86,;12.8,5.4,;11.46,6.17,;10.13,5.4,;5.71,-3.68,;6.11,-2.19,)|
BDBM161788 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCCNC(=O)OC(C)(C)C)c1=O |r|
BDBM161789 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OC2CC(O)C2)c1=O |r,wD:18.22,16.15,(9.95,-3.39,;8.61,-2.62,;7.71,-3.86,;6.24,-3.39,;6.24,-1.85,;4.91,-1.08,;3.58,-1.85,;2.24,-1.08,;.91,-1.85,;-.43,-1.08,;-.43,.46,;-1.76,1.23,;-3.09,.46,;-4.43,1.23,;-3.09,-1.08,;-4.43,-1.85,;-5.76,-1.08,;-7.09,-1.85,;-8.43,-1.08,;-9.89,-1.55,;-10.8,-.31,;-9.89,.94,;-8.43,.46,;-7.09,1.23,;-7.86,2.57,;-6.32,2.57,;-5.76,.46,;-1.76,-1.85,;2.24,.46,;.91,1.23,;3.58,1.23,;4.91,.46,;6.24,1.23,;7.58,2,;9.06,1.6,;9.46,3.09,;10.8,3.86,;7.98,3.49,;7.71,-1.37,;8.11,.12,)|
BDBM161791 CC(O)COc1ccc(Nc2ncc(Cl)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1C#N |r|
BDBM161905 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(N3CC(C3)C(N)=O)c(c2)C(F)(F)F)ncc1F |r|
BDBM161906 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(NCC(CCl)C(N)=O)c(c2)C(F)(F)F)ncc1F |r|
BDBM161907 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(N3CC(O)C3)c(c2)C(F)(F)F)ncc1F |r|
BDBM161908 CNC(=O)c1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1Cl |r|
BDBM161671 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCCO)c(F)c2)ncc1F |r|
BDBM161672 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCCO)c(c2)C(F)(F)F)ncc1F |r|
BDBM161673 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)ccc2OCCO)c1=O |r|
BDBM161674 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(OCCO)c(Cl)c2)ncc1F |r|
BDBM161675 Cc1cc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)ccc1OCCO |r|
BDBM161676 C[C@@H](CO)Oc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161792 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC(O)C(F)(F)F)c1=O |r|
BDBM161794 Cn1nnn(-c2cc(Nc3ncc(Cl)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2O)c1=O |r|
BDBM161795 CO[C@@H](C)COc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161796 CO[C@@H](C)COc1cc(F)c(Nc2ncc(F)c(n2)N(C[C@H](C)OC)[C@@H]2C[C@@H]3CCCN3C(C)(C)C2)cc1-n1nnn(C)c1=O |r|
BDBM161797 C[C@H](O)COc1cc(F)c(Nc2ncc(Cl)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161909 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)ccc2N2CC(O)C2)c1=O |r|
BDBM161679 CC(C)N1CCN(CC1)c1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1C#N |r|
BDBM161680 Cn1nnn(-c2cc(Nc3ncc(F)c(n3)N([C@@H]3C[C@@H]4CCCN4C(C)(C)C3)C(C)(C)O)c(F)cc2OC(C)(C)O)c1=O |r|
BDBM161681 COc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnnc1C |r|
BDBM161683 Cc1nnnn1-c1cc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)ccc1F |r|
BDBM161684 Cc1nnnn1-c1ccc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)c1 |r|
BDBM161798 CC(O)COc1cc(F)c(Nc2ncc(Cl)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161799 Cn1nnn(-c2cc(Nc3ncc(Cl)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCCO)c1=O |r|
BDBM161801 CO[C@@H](C)COc1cc(F)c(Nc2cc(N(C[C@H](C)OC)[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)c(Cl)cn2)cc1-n1nnn(C)c1=O |r|
BDBM161804 COc1cc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)c(F)c(c1)-n1nnnc1C |r|
BDBM161685 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(F)c(c2)-n2nnnc2C2CC2)ncc1F |r|
BDBM161690 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cc(ccc2F)-n2nnnc2C2CC2)ncc1F |r|
BDBM161691 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(Cl)c(c2)-n2nnnc2C2CC2)ncc1F |r|
BDBM161692 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cc(c(cc2F)C2CC2)-n2cnnn2)ncc1Cl |r|
BDBM161693 Cc1ccc(Nc2ncc(Cl)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1cnnn1 |r|
BDBM161697 Cn1nnn(-c2cc(Nc3ncc(Cl)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2C2CC2)c1=O |r|
BDBM161805 COc1cc(cc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)c1F)-n1nnnc1C |r|
BDBM161806 COc1cc(c(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)c1F)-n1nnnc1C |r|
BDBM161807 Cn1nc2n(-c3cc(Nc4ncc(F)c(N[C@@H]5C[C@@H]6CCCN6C(C)(C)C5)n4)ccc3OC2(C)C)c1=O |r|
BDBM161808 Cc1nnnn1-c1cc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)c(F)cc1OC1COC1 |r|
BDBM161810 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc3OC(C)(C)c4nn(C5COC5)c(=O)n4-c3c2)ncc1F |r|
BDBM161698 Cc1nnnn1-c1cc(Nc2ncc(Cl)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)ccc1F |r|
BDBM161699 Cc1nnnn1-c1ccc(F)c(Nc2ncc(Cl)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)c1 |r|
BDBM161700 COc1ccc(Nc2ncc(Cl)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnnc1C |r|
BDBM161701 COc1cc(Nc2ncc(Cl)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc(c1)-n1nnnc1C |r|
BDBM161702 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cccc(c2)C#N)ncc1Cl |r|
BDBM161704 Cc1ccc(Nc2ncc(Cl)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1C#N |r|
BDBM161705 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(C3CC3)c(c2)C#N)ncc1Cl |r|
BDBM161811 Cc1nnnn1-c1cc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)c(F)cc1O |r|
BDBM161818 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cc(c(OC3COC3)cc2F)-n2nnnc2C2CC2)ncc1F |r|
BDBM161819 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cc(c(O)cc2F)-n2nnnc2C2CC2)ncc1F |r|
BDBM161820 CC(C)Oc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnnc1C1CC1 |r|
BDBM161400 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCCO)c1=O |r|
BDBM161706 COc1cc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc(OC)c1OC |r|
BDBM161707 CC1(C)Oc2ccc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)cc2O1 |r|
BDBM161709 COCCOc1cc(F)c(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc1-n1nnn(C)c1=O |r|
BDBM161711 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC2(C)COC2)c1=O |r|
BDBM161712 COCCOc1ccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)c(F)c1OCCOC |r|
BDBM161713 COc1cc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc(OC)c1 |r|
BDBM161714 COc1cc(Nc2ncc(Cl)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)cc(OC)c1 |r|
BDBM161821 CNc1nnnn1-c1cc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)c(F)cc1OC1COC1 |r|
BDBM161822 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cccc(c2)-n2nnnc2S)ncc1F |r|
BDBM161823 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cccc(c2)-n2nnnc2=O)ncc1F |r|
BDBM161824 CSc1nnnn1-c1cccc(Nc2ncc(F)c(N[C@@H]3C[C@@H]4CCCN4C(C)(C)C3)n2)c1 |r|
BDBM161825 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cccc(c2)-n2nnnc2SC2COC2)ncc1F |r|
BDBM161826 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cccc(c2)-n2nnnc2SC(CO)CO)ncc1F |r|
BDBM161715 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(F)c(c2)-n2nnnc2C2CC2)ncc1Cl |r|
BDBM161716 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cc(ccc2F)-n2nnnc2C2CC2)ncc1Cl |r|
BDBM161717 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC2(CO)COC2)c1=O |r|
BDBM161718 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC2COC2)c1=O |r|
BDBM161719 Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC2CCO2)c1=O |r|
BDBM161720 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc(O)c(c2)C#N)ncc1F |r|
BDBM161827 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cccc(c2)-n2nnnc2SC(CN)CO)ncc1F |r|
BDBM161828 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cccc(c2)-n2nnn(C3COC3)c2=O)ncc1F |r|
BDBM161830 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cccc(c2)-n2nnn(CCO)c2=O)ncc1F |r|
BDBM161831 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2ccc3OC(C)(C)c4nn(CCO)c(=O)n4-c3c2)ncc1F |r|
BDBM161832 CC1(C)C[C@@H](C[C@@H]2CCCN12)Nc1nc(Nc2cccc(c2)-n2nnnc2S(C)(=O)=O)ncc1F |r|