1953 SMILES Strings for Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1

Compound Name
SMILES String
COc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Oc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
COc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
Oc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
CC(C)(C)OC(=O)Nc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Nc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
CN(C)c1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1
Clc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
COc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
COc1ccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Clc1cccc(Nc2ncnc3n[nH]c(-c4ccccc4)c23)c1
Oc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
COc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Oc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
[O-][N+](=O)c1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Nc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
CC(C)(C)OC(=O)Nc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Nc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Clc1cccc(Nc2[nH]nc3ncnc(NCc4ccccc4)c23)c1
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
CCOC(=O)CSc1cnc(NC(C)=O)s1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CC(=O)Nc1ncc(SCC(=O)OC(C)(C)C)s1
CC(=O)Nc1ncc(SCC(=O)OCc2ccccc2)s1
CCc1cnc(CSc2cnc(NC(C)=O)s2)o1
CC(C)c1cnc(CSc2cnc(NC(C)=O)s2)o1
CC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
CC(=O)Nc1ncc(SCc2ncc(CC3CCCCC3)o2)s1
CC(C)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
CC(C)(C)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
CC(C)OC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3ccc(F)cc3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(Cl)cccc3Cl)s2)o1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1
CCc1cnc(CSc2cnc(NC(=O)C(C)C)s2)o1
CCc1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1
CC(C)C(=O)Nc1ncc(s1)S(=O)Cc1ncc(o1)C(C)(C)C
CC(C)C(=O)Nc1ncc(s1)S(=O)(=O)Cc1ncc(o1)C(C)(C)C
CCSc1cc(=O)c2c(O)cc(O)c(C3CCN(C)CC3O)c2o1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(Sc1ccccc1Cl)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(Oc1ccccc1Cl)cc2=O |r|
CN1CC[C@H]([C@@H](O)C1)c1c(O)cc(O)c2c1oc(Sc1ccccc1Cl)cc2=O |r|
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Sc1ccccc1)cc2=O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(SC(C)(C)C)cc2=O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Sc1nc(C)cc(C)n1)cc2=O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Nc1ccccc1)cc2=O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(cc2=O)N1CCCCC1
Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO
[#6]-[#8]-[#6](=O)C1([#6]-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)[#8]-[#6](=O)-[#6](=O)-[#6]1-c1ccc(-[#8])cc1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(Nc3ccccc3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(Nc3ccccn3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(Nc3cccnc3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(Nc3ccncn3)s2)o1
CC(C)(CO)CNCc1ccc(Nc2ncc(SCc3ncc(o3)C(C)(C)C)s2)nc1
CC(C)(C)c1cnc(CSc2cnc(Nc3ccc(cc3)S(=O)(=O)NCCO)s2)o1
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccco1
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1cccs1
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1nccs1
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1C
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1F
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cccc1F
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(C)cc1F
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(Cl)cc1F
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(Br)cc1F
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(OC)cc1F
CCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
CCCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
CCCC(C)Oc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
O=C(c1ccccc1)c1cnc2[nH]ncc2c1OC1CCCCC1
O=C(c1ccccc1)c1cnc2[nH]ncc2c1OCc1ccccc1
CC(C)CCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3CO)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-6.94,-1.52,;-5.6,-2.27,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(N)c3C)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-6.94,-1.52,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(C)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(OC)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-9.63,-.01,;-9.61,-1.55,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(N)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccnc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccncc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(N)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(cc3)N(C)C)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-9.66,3.07,;-10.99,2.29,;-9.68,4.61,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(C)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(C)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(OC)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-9.63,-.01,;-9.61,-1.55,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(OC)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-8.3,.78,;-9.63,-.01,;-11.11,.39,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(O)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(O)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(C)c(O)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(O)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(NC(C)=O)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-12.33,3.04,;-10.97,.75,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(NC(=O)CNC(=O)OC(C)(C)C)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-10.97,.75,;-12.33,3.04,;-13.65,2.26,;-14.99,3.02,;-14.99,4.56,;-16.32,2.23,;-17.66,2.99,;-18.99,2.2,;-18.75,4.08,;-16.57,4.08,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(NC(=O)CN)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-10.97,.75,;-12.33,3.04,;-13.65,2.26,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(NC(=O)CN(C)C)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-10.97,.75,;-12.33,3.04,;-13.65,2.26,;-14.99,3.02,;-13.64,.72,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
CCn1c2nc(Nc3ccccc3)ncc2ccc1=O
CCn1c2nc(Nc3cccc(OC(F)(F)C(F)F)c3)ncc2ccc1=O
CCCn1c2nc(Nc3ccccc3)ncc2ccc1=O
CCCCn1c2nc(Nc3ccccc3)ncc2ccc1=O
CC(C)n1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2ccc1=O
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1
OCCCC1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1 |THB:23:24:27.28:30|
COc1ccc2cnc(Nc3ccccc3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(cc3)N3CCCC3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(cc3)N3CCC(N)C3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CN)nc2c1C(C)C
COc1ccc2cnc(Nc3ccccc3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(cc3)N3CCCC3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(cc3)N3CCC(N)C3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CN)nc2c1C1CCCC1
CC(C)c1c(O)ccc2cnc(Nc3ccccc3)nc12
Oc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1
Oc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1
Oc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1
COc1cc(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1
COc1cc(C)c2cnc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc2c1C1CCCC1
Cc1cc(O)c(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
O=c1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2n1C1CCCC1
O=c1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2n1C1CCCC1
OCCCC1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCOCC3)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCC(CCCO)CC3)ncc12
CCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
FC(F)(F)c1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
CC(C)n1c2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c(C)cc1=O
CC(C)CCn1c2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c(C)cc1=O
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CC3)C=O)ncc12
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCC(O)C3)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCC(N)C3)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCCNCC3)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CCO)CC3)ncc12
C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1 |r|
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNC(C)(C)C3)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)c(Cl)c3)ncc12
Cc1c(C)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
CCc1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Cc1c(F)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Cc1c(Cl)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Cc1c(I)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Cc1c(C(O)=O)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
COC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
CCOC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
OCCCNc1cncc(c1)-c1cncc(Nc2cccc(F)c2)n1
COc1cccc(Nc2cncc(n2)-c2cncc(NCCCO)c2)c1
OCCCNc1cncc(c1)-c1cncc(Nc2ccccc2Cl)n1
Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCc3ccncc3)c2)c1
Clc1ccc(Nc2cncc(n2)-c2cncc(NCCCc3ccncc3)c2)cc1
Clc1ccc(Nc2cncc(n2)-c2cncc(NCCCc3ccncc3)c2)cc1Cl
OCCCNc1cncc(c1)-c1cncc(NCc2ccccc2)n1
OCCCNc1cncc(c1)-c1cncc(Oc2cccc(Cl)c2)n1
Nc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
OCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
CN(C)CCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
CN(C)CCNC(=O)c1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
OCCCNC(=O)c1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
OCC(=O)Nc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
COCC(=O)Nc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
COCCC(=O)Nc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Clc1cccc(Nc2cncc(n2)-c2cncc(NC(=O)COCc3ccccc3)c2)c1
Clc1cccc(Nc2cncc(n2)-c2cncc(NC(=O)COc3ccccc3)c2)c1
CN(C)c1ccc(cc1)C(=O)Nc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCN3CCNCC3)c2)c1
CN1CCN(CCCNc2cncc(c2)-c2cncc(Nc3cccc(Cl)c3)n2)CC1
Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCN3CCOCC3)c2)c1
Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCN3CCCCC3)c2)c1
Clc1cccc(Nc2cncc(n2)-c2cncc(NCC3CCOCC3)c2)c1
Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCCc3ccncc3)c2)c1
Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCc3ccccc3)c2)c1
Clc1cccc(Nc2cncc(n2)-c2cncc(NCCOc3ccccc3)c2)c1
OC(=O)CCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
OCCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
CN(C)CCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCc3cccnc3)c2)c1
Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCn3cccn3)c2)c1
Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCn3cncn3)c2)c1
Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCC(=O)N3CCCCC3)c2)c1
OCCCNc1cnc(F)c(c1)-c1cncc(Nc2cccc(Cl)c2)n1
OCCCNc1cnc(Cl)c(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Nc1ncc(NCCCO)cc1-c1cncc(Nc2cccc(Cl)c2)n1
OCCCNc1cncc(c1)-c1cc(Nc2cccc(Cl)c2)ncn1
OCCCNc1cncc(c1)-c1cnc(Nc2cccc(Cl)c2)cn1
OCCCNc1cncc(c1)-c1ncc(Nc2cccc(Cl)c2)cn1
OCCCNc1cncc(c1)-c1ncncc1Nc1cccc(Cl)c1
OCCCNc1cncc(n1)-c1cncc(Nc2cccc(Cl)c2)n1
OCCCNc1cccc(n1)-c1cncc(Nc2cccc(Cl)c2)n1
OCCCNc1cc(ccn1)-c1cncc(Nc2cccc(Cl)c2)n1
OCCCNc1cnccc1-c1cncc(Nc2cccc(Cl)c2)n1
OCCCNc1ccc(nc1)-c1cncc(Nc2cccc(Cl)c2)n1
OCCCNc1ncc(s1)-c1cncc(Nc2cccc(Cl)c2)n1
OCCCNc1ncc(o1)-c1cncc(Nc2cccc(Cl)c2)n1
O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r|
O=C(Nc1cc(n[nH]1)[C@@H]1CCCN1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r|
O=C(Nc1cc(n[nH]1)[C@@H]1CCCN1)Nc1cccc2C(=O)N3CCC[C@H]3c12 |r|
Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@@H]4c23)[nH]n1 |r|
Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@H]4c23)[nH]n1 |r|
CS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
CS(=O)(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
CSc1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
CSc1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
NC(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
NC(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
CN(C)S(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
CN(C)S(=O)(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
c1cc(c(c(c1)Cl)C(=O)c2ccc3nc(cn3c2)Nc4ccc(cc4)S(=O)(=O)N)Cl
NC(=N)NS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccc(cc3)S(=O)(=O)NC(=O)c3ccccc3)cn2c1
OC(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccncc3)cn2c1
Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)cn2c1
c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3)C(=O)c4c(cccc4F)F)N
Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1c(F)cccc1F
Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1c(F)cccc1Cl
Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=C)c1c(F)cccc1F
Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=C/C#N)\c1c(F)cccc1F
Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=Cc1nnn[nH]1)c1c(F)cccc1F |w:21.24|
COc1ccccc1C(=O)c1c(N)nc2ccc(cn12)C(=O)c1c(F)cccc1F
Nc1nc2ccc(cn2c1C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(F)cccc1F
Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1Cl)C(=O)c1c(F)cccc1F
COc1cc(F)c(C(=O)c2c(N)nc3ccc(cn23)C(=O)c2c(F)cccc2F)c(F)c1
Nc1nc2ccc(cn2c1C(=S)c1ccccc1)C(=O)c1c(F)cccc1F
Nc1nc2ccc(cn2c1C(=S)c1c(F)cccc1F)C(=O)c1c(F)cccc1F
COc1cc(F)c(C(=S)c2c(N)nc3ccc(cn23)C(=O)c2c(F)cccc2F)c(F)c1
Nc1nc2ccc(cn2c1C(=O)c1c(F)cc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1Cl
NC(=O)c1cc(F)c(C(=O)c2c(N)nc3ccc(cn23)C(=O)c2c(Cl)cccc2Cl)c(F)c1
c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O
Brc1cccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
Brc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c2c1
Brc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Brc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1ccccc1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
Cc1ccc(F)c(C(=O)n2nc(Nc3ccc(cc3)S(N)(=O)=O)nc2N)c1F
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)ccc(F)c1F
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1cccs1
Cc1ccsc1C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
Cc1cc(C)c(s1)C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1sccc1F
CN(C)CCNS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Nc1nc(Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)nn1C(=O)c1c(F)cccc1F
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1Cc1c(F)cccc1F
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1S(=O)(=O)c1c(F)cccc1F
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1c(F)cccc1F
c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
Cc1ccc(F)c(C(=O)n2nc(N)nc2Nc2ccc(cc2)S(N)(=O)=O)c1F
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)n(n1)C(=S)Nc1c(F)cccc1F
Nc1nc(Nc2ccccc2)ccc1C(=O)c1c(F)cccc1F
Nc1nc(Nc2ccc(cc2)C#N)ccc1C(=O)c1c(F)cccc1F
NC(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
Nc1nc(Nc2ccc(cc2)C(O)=O)ccc1C(=O)c1c(F)cccc1F
Nc1nc(Nc2ccccc2[N+]([O-])=O)ccc1C(=O)c1c(F)cccc1F
Nc1ccccc1Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1
CC(=O)Nc1ccccc1Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1
Nc1nc(Nc2ccccc2NC(=O)c2ccccc2)ccc1C(=O)c1c(F)cccc1F
Nc1nc(Nc2ccccc2NS(=O)(=O)c2ccccc2)ccc1C(=O)c1c(F)cccc1F
Nc1nc(Nc2cccc(c2)[N+]([O-])=O)ccc1C(=O)c1c(F)cccc1F
Nc1nc(Nc2cccc(Cl)c2)ccc1C(=O)c1c(F)cccc1F
Nc1nc(Nc2ccc(cc2)[N+]([O-])=O)ccc1C(=O)c1c(F)cccc1F
Nc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
CNc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
Nc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1C(=O)c1c(F)cccc1F
CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
Nc1nc(Nc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1C(=O)c1c(F)cccc1F
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)ccc1C(=O)c1c(F)cccc1F
CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3F)c(N)n2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1
CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccco3)c(N)n2)cc1
CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccco3)c(N)n2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3cccs3)c(N)n2)cc1
Nc1nc(Nc2ccccn2)ccc1C(=O)c1c(F)cccc1F
Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1
Nc1ccc(C(=O)c2ccccc2F)c(N)n1
Nc1ccc(C(=O)c2ccccc2)c(N)n1
Nc1ccc(C(=O)c2ccco2)c(N)n1
Nc1ccc(C(=O)c2cccs2)c(N)n1
CCCCOc1cc(N)nc(N)c1C(=O)c1c(F)cccc1F
CCCCOc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)nc(N)c1C(=O)c1c(F)cccc1F
CCCCOc1cc(Nc2ccc(cc2)S(N)(=O)=O)nc(N)c1C(=O)c1c(F)cccc1F
O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccccc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:11.12|
CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccccc12 |w:2.2|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Cl)cc23)cc1 |w:9.8|
CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(Cl)cc12 |w:2.2|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)-c2cnco2)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)-c1cnco1 |w:11.12|
CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(cc12)-c1cnco1 |w:2.2|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(I)c23)cc1 |w:9.8|
CCc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:11.11|
CC(C)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
CC(C)Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
[#6]\[#6](-[#6])=[#6]\c1cccc2-[#7]-[#6](=O)-[#6](=[#7]-[#7]-c3ccc(cc3)S([#7])(=O)=O)-c12 |w:13.13|
CCOc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
CC(C)Oc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(Oc4ccccc4)c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(CCc4ccncc4)c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(C=Cc4ccc(O)cc4)c23)cc1 |w:9.8,19.18|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(CCc4ccc(O)cc4)c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(-c4cc[nH]n4)c23)cc1 |w:9.8|
CCOC(=O)c1cccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c12 |w:14.13|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cccc(CO)c12 |w:11.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(c23)N(=O)=O)cc1 |w:9.8|
NC(=O)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(F)cc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(I)cc23)cc1 |w:9.8|
Cc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:9.9|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(O)cc23)cc1 |w:9.8|
COc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:10.10|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)N(=O)=O)cc1 |w:9.8|
Nc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:9.9|
CN(C)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:11.10|
CS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:12.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(N)(=O)=O)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(O)(=O)=O)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)C(O)=O |w:11.12|
COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:12.11|
CC(C)COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:15.14|
CC(C)CC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:14.13|
NC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:11.11|
CN(C)C(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:13.13|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCc2cnc[nH]2)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCCn2ccnc2)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2ccncc2)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2cccnc2)cc1 |w:9.8|
CC(C)(CO)CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:17.17|
COc1cccc(OC)c1CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:22.23|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(Br)ccc23)cc1 |w:9.8|
CCc1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:7.7|
CC(C)c1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:8.8|
CC(C)(C)c1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:9.9|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cc(CO)ccc12 |w:11.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(Oc4ccccc4)ccc23)cc1 |w:9.8|
Cc1cccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 |w:7.7|
Cc1cc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c(C)c1 |w:5.5|
Cc1cc(Cl)cc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 |w:8.8|
Cc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1Cl |w:9.9|
COc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1Cl |w:10.10|
Cc1c2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2ccc1N(=O)=O |w:4.4|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]cc23)[nH]c1=O |w:11.12|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]c(Cl)c23)[nH]c1=O |w:11.12|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]nc23)[nH]c1=O |w:11.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:11.12|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12|
NS(=O)(=O)c1ccc(cc1)N=Cc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12|
CNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:12.13|
CN(C)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:13.14|
OCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NCCc1cnc[nH]1 |w:13.15|
OCCOCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:17.18|
COCCOCCOCCOCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:24.25|
COCCOCCOCCOCCN(C)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:25.26|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1 |w:13.15|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:13.15|
CN(c1ccccn1)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:18.20|
Cc1cccc(C)c1NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:19.21|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1 |w:13.15|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NN1Cc2ccccc2C=C1 |w:13.15,c:38|
NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
CC(=O)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
CNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:12.13|
CN(C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:16.17|
O=C1Nc2ccccc2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 |w:10.11|
NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:14.15|
CS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:11.12|
NS(=O)(=O)Cc1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:12.13|
CNS(=O)(=O)Cc1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:13.14|
CNS(=O)(=O)Cc1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |w:11.10|
OCCNS(=O)(=O)Cc1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:15.16|
CS(=O)(=O)Cc1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:12.13|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc2CS(=O)(=O)Cc2c1 |w:13.15|
O=C1Nc2ccc(cc2C1C=Nc1ccc2CS(=O)(=O)Cc2c1)-c1cnco1 |w:10.11|
CN1C(=O)N(C(=O)S1)Cc2ccccc2
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(Br)cc2)cc1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(O)c(F)c2)cc1
Nc1ccc(cc1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
COc1cccc(c1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(O)c2)cc1
CS(=O)(=O)Nc1cccc(c1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)c2)cc1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
Nc1nccc(n1)-c1c[nH]c2cc(Br)cc(O)c12
Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
Nc1nccc(n1)-c1c[nH]c2c(Br)ccc(O)c12
Nc1nccc(n1)-c1c[nH]c2cc(Br)c(Br)cc12
Nc1nccc(n1)-c1c[nH]c2ccccc12
Nc1nccc(n1)-c1cc2cc(Br)ccc2[nH]1
Nc1nccc(n1)-c1cc2ccccc2[nH]1
c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N
CCN(CC)c1cc(Nc2ccc(cc2)S(N)(=O)=O)n2ncnc2n1
CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1 |r,wU:15.14,wD:18.18,(2.02,7.53,;.68,6.76,;-.65,7.53,;.68,5.22,;2.17,5.61,;1.45,3.88,;-.65,4.45,;-1.98,5.22,;-3.32,4.45,;-3.32,2.9,;-4.65,2.13,;-4.65,.59,;-5.98,-.18,;-5.98,-1.72,;-7.31,-2.49,;-7.31,-4.03,;-5.97,-4.8,;-5.97,-6.34,;-7.31,-7.11,;-7.31,-8.65,;-8.64,-6.34,;-8.64,-4.8,;-4.64,-2.49,;-3.31,-1.71,;-1.85,-2.18,;-.94,-.94,;-1.85,.31,;-3.32,-.17,;-1.98,2.13,;-.65,2.9,)|
CS(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1 |r,wU:13.12,wD:16.16,(.68,6.76,;.68,5.22,;2.17,5.61,;1.45,3.88,;-.65,4.45,;-1.98,5.22,;-3.32,4.45,;-3.32,2.9,;-4.65,2.13,;-4.65,.59,;-5.98,-.18,;-5.98,-1.72,;-7.31,-2.49,;-7.31,-4.03,;-5.97,-4.8,;-5.97,-6.34,;-7.31,-7.11,;-7.31,-8.65,;-8.64,-6.34,;-8.64,-4.8,;-4.64,-2.49,;-3.31,-1.71,;-1.85,-2.18,;-.94,-.94,;-1.85,.31,;-3.32,-.17,;-1.98,2.13,;-.65,2.9,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)n2ncnc2n1 |r,wU:4.7,wD:1.0,(-7.31,-8.65,;-7.31,-7.11,;-5.97,-6.34,;-5.97,-4.8,;-7.31,-4.03,;-8.64,-4.8,;-8.64,-6.34,;-7.31,-2.49,;-5.98,-1.72,;-5.98,-.18,;-4.65,.59,;-4.65,2.13,;-3.32,2.9,;-3.32,4.45,;-1.98,5.22,;-.65,4.45,;-.65,2.9,;-1.98,2.13,;.68,5.22,;2.17,5.61,;1.45,3.88,;.68,6.76,;-.65,7.53,;-.65,9.07,;.68,9.84,;2.02,9.07,;2.02,7.53,;-3.32,-.17,;-1.85,.31,;-.94,-.94,;-1.85,-2.18,;-3.31,-1.71,;-4.64,-2.49,)|
Brc1cccc(c1)-c1cc(NCc2ccncc2)[n+]2[nH]cnc2n1
N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2cccc(I)c2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;1.5,8.38,;1.5,9.92,;.17,10.69,;-1.17,9.92,;-2.5,10.69,;-1.17,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)|
N[C@H]1CC[C@@H](CC1)Nc1nc(NCC2CC2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;.83,9,;-.7,8.88,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)|
N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;-1.17,8.38,;-1.17,9.92,;.17,10.69,;1.5,9.92,;1.5,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)|
C[C@@H](Nc1nc(N[C@H]2CC[C@H](N)CC2)nc2n(cnc12)C1CCCC1)c1ccccc1 |r,wU:10.10,wD:7.6,1.0,(-.23,7.55,;.17,6.07,;-1.17,5.3,;-1.17,3.76,;-2.5,2.99,;-2.5,1.45,;-3.83,.68,;-5.17,1.45,;-5.21,2.99,;-6.57,3.72,;-7.88,2.91,;-9.23,3.64,;-7.83,1.37,;-6.48,.64,;-1.17,.68,;.17,1.45,;1.63,.97,;2.54,2.22,;1.63,3.46,;.17,2.99,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;1.71,6.07,;2.48,7.4,;4.02,7.4,;4.79,6.07,;4.02,4.73,;2.48,4.73,)|
Nc1n[nH]c(N)c1\N=N\c1ccccc1
Nc1n[nH]c(N)c1\N=N\c1ccccc1[N+]([O-])=O
Nc1n[nH]c(N)c1\N=N\c1cccc(c1)[N+]([O-])=O
Nc1n[nH]c(N)c1\N=N\c1cccc(O)c1
c1cc(ccc1/N=N\c2c([nH]nc2N)N)O
Nc1n[nH]c(N)c1\N=N\c1ccccc1CO
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 |r|
COc1cccc(c1)C(=O)c1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1N
CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)c3cccc(F)c3)c(N)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)c3cccc(c3)C(F)(F)F)c(N)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)c(N)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)c3ccccc3C)c(N)n2)cc1
COc1ccccc1C(=O)c1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1N
COc1ccccc1C(=O)c1cnc(NC2CCNCC2)nc1N
COc1ccccc1C(=O)c1cnc(NC2CCN(C)CC2)nc1N
CCNC(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2OC)c(N)n1
CCOC(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2OC)c(N)n1
COc1ccccc1C(=O)c1cnc(NC2CCN(CC2)C(C)=O)nc1N
CCCC(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2OC)c(N)n1
COc1ccccc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
CCS(=O)(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2OC)c(N)n1
CCOC(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2F)c(N)n1
CCOC(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2C)c(N)n1
CCOc1ccccc1C(=O)c1cnc(NC2CCN(CC2)C(C)=O)nc1N
COc1cc(F)ccc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1ccc(F)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1ccc(Cl)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1cccc(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
CS(=O)(=O)N1CCC(CC1)Nc1ncc(C(=O)c2c(F)cccc2F)c(N)n1
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
COc1cc(F)c(F)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1cc(F)c(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1c(F)c(F)c(F)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1ccc(cc1)-c1oc2ncnc(NCCO)c2c1-c1ccc(OC)cc1
OCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
CN(CCO)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
OC(=O)CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
OCCNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
CC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
OCC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1|
Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)cc1
Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCC1
O[C@H]1CC[C@@H](CC1)NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1F |r,wU:1.0,wD:4.7,(3.17,8.82,;2.37,7.51,;3.11,6.16,;2.31,4.84,;.77,4.87,;.03,6.22,;.83,7.54,;0,3.54,;-1.54,3.54,;-2.01,5,;-2.63,2.45,;-2.34,.94,;-3.7,.2,;-4.81,1.26,;-4.15,2.65,;-4.89,4,;-6.43,4.04,;-7.23,2.73,;-7.16,5.4,;-6.5,6.78,;-4.96,6.9,;-7.37,8.06,;-8.9,7.94,;-9.57,6.55,;-8.7,5.28,;-9.47,3.94,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1F |r,wU:1.0,wD:4.7,(3.17,8.82,;2.37,7.51,;3.11,6.16,;2.31,4.84,;.77,4.87,;.03,6.22,;.83,7.54,;0,3.54,;-1.54,3.54,;-2.01,5,;-2.63,2.45,;-2.34,.94,;-3.7,.2,;-4.81,1.26,;-4.15,2.65,;-4.89,4,;-6.43,4.04,;-7.23,2.73,;-7.16,5.4,;-6.5,6.78,;-4.96,6.9,;-7.37,8.06,;-8.9,7.94,;-9.57,6.55,;-8.7,5.28,;-9.47,3.94,)|
Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)N[C@H]1CCCNC1 |r|
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br
Fc1ccc(Nc2ncc(Br)s2)cc1
OC(=O)c1ccc(Nc2ncc(Br)s2)cc1
CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br
c1cc(n[nH]1)-c1nc2ccccc2[nH]1
CC(=O)Nc1c[nH]nc1-c1nc2ccccc2[nH]1
O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1
Fc1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1ccccc1
Fc1ccccc1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Fc1cccc(F)c1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
O=C(NC1CCCCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1cccnc1
O=C(NC1CCOCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)n2ncc(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncc(C(C)C)n2n1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1N1CCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(C)CC3)nc2n1N1CCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1N1CCCCCC1
CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N4CCC4)n(N4CCCCC4)c3n2)nc1
O=C(N1CCC1)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1N1CCCCC1
CNC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1N1CCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNC(C)(C)C3)nc2n1N1CCCCC1
CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N4CCCC4)n(N4CCCCC4)c3n2)nc1
O=C(N1CCCC1)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1N1CCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1N1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCOCC3)nc2n1N1CCCCC1
CCN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(N4CCCCC4)c3n2)nc1
C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(N4CCCCC4)c3n2)nc1 |r|
CCN(CC)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1N1CCCCC1
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
CCOC(=O)c1cnc2[nH]ncc2c1N1CCOC(CN)C1
NCC1CN(CCO1)c1c(Br)cnc2[nH]ncc12
NCC1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccsc1
NC[C@@H]1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccccc1 |r|
CN1CCC([C@@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)[nH]c(=O)c12 |(-2.33,5.73,;-1.56,4.39,;-.02,4.39,;-2.33,3.06,;-1.43,1.81,;-2.33,.57,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-3.79,1.04,;-5.13,.27,;-6.46,1.04,;-7.8,.27,;-9.13,1.04,;-10.46,.27,;-11.8,1.04,;-11.8,2.58,;-13.13,3.35,;-14.46,2.58,;-15.8,3.35,;-17.13,2.58,;-10.46,3.35,;-9.13,2.58,;-6.46,2.58,;-5.13,3.35,;-5.13,4.89,;-3.79,2.58,)|
COc1ccc(Cc2nc3n(nc(C(C)C)c3c(=O)[nH]2)-c2c(Cl)cc(Cl)cc2Cl)cc1 |(-14.46,2.58,;-13.13,3.35,;-11.8,2.58,;-11.8,1.04,;-10.46,.27,;-9.13,1.04,;-7.8,.27,;-6.46,1.04,;-5.13,.27,;-3.79,1.04,;-2.33,.57,;-1.43,1.81,;-2.33,3.06,;-1.56,4.39,;-2.33,5.73,;-.02,4.39,;-3.79,2.58,;-5.13,3.35,;-5.13,4.89,;-6.46,2.58,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-.74,-5.38,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-9.13,2.58,;-10.46,3.35,)|
COc1ccc(Cc2nc3n(nc(C(C)C)c3c(=O)[nH]2)-c2c(Cl)cccc2Cl)cc1 |(-14.46,2.58,;-13.13,3.35,;-11.8,2.58,;-11.8,1.04,;-10.46,.27,;-9.13,1.04,;-7.8,.27,;-6.46,1.04,;-5.13,.27,;-3.79,1.04,;-2.33,.57,;-1.43,1.81,;-2.33,3.06,;-1.56,4.39,;-2.33,5.73,;-.02,4.39,;-3.79,2.58,;-5.13,3.35,;-5.13,4.89,;-6.46,2.58,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-9.13,2.58,;-10.46,3.35,)|
CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCN4CCOCC4)cc3)[nH]c(=O)c12 |(-2.33,5.73,;-1.56,4.39,;-.02,4.39,;-2.33,3.06,;-1.43,1.81,;-2.33,.57,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-3.79,1.04,;-5.13,.27,;-6.46,1.04,;-7.8,.27,;-9.13,1.04,;-10.46,.27,;-11.8,1.04,;-11.8,2.58,;-13.13,3.35,;-14.46,2.58,;-15.8,3.35,;-17.13,2.58,;-18.47,3.35,;-19.8,2.58,;-19.8,1.04,;-18.47,.27,;-17.13,1.04,;-10.46,3.35,;-9.13,2.58,;-6.46,2.58,;-5.13,3.35,;-5.13,4.89,;-3.79,2.58,)|
COc1ccc(Cc2nc3n(nc(C(C)C)c3c(=O)[nH]2)-c2ccccc2)cc1
COc1ccc(Cc2nc3n[nH]c(C(C)C)c3c(=O)[nH]2)cc1
COc1ccc(Cc2nc3n(ncc3c(=O)[nH]2)-c2c(Cl)cc(Cl)cc2Cl)cc1 |(-14.46,2.58,;-13.13,3.35,;-11.8,2.58,;-11.8,1.04,;-10.46,.27,;-9.13,1.04,;-7.8,.27,;-6.46,1.04,;-5.13,.27,;-3.79,1.04,;-2.33,.57,;-1.43,1.81,;-2.33,3.06,;-3.79,2.58,;-5.13,3.35,;-5.13,4.89,;-6.46,2.58,;-1.93,-.92,;-.44,-1.32,;.33,.02,;-.05,-2.8,;-1.13,-3.89,;-.74,-5.38,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-9.13,2.58,;-10.46,3.35,)|
COc1ccc(Cc2nc3n(nc(Cc4ccccc4)c3c(=O)[nH]2)-c2c(Cl)cc(Cl)cc2Cl)cc1 |(-14.46,2.58,;-13.13,3.35,;-11.8,2.58,;-11.8,1.04,;-10.46,.27,;-9.13,1.04,;-7.8,.27,;-6.46,1.04,;-5.13,.27,;-3.79,1.04,;-2.33,.57,;-1.43,1.81,;-2.33,3.06,;-1.85,4.53,;-.37,4.92,;.03,6.41,;1.52,6.81,;2.61,5.72,;2.21,4.23,;.72,3.84,;-3.79,2.58,;-5.13,3.35,;-5.13,4.89,;-6.46,2.58,;-1.93,-.92,;-.44,-1.32,;.33,.02,;-.05,-2.8,;-1.13,-3.89,;-.74,-5.38,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-9.13,2.58,;-10.46,3.35,)|
COCCOCCOCCOc1ccc(Cc2nc3n(nc(C(C)C)c3c(=O)[nH]2)-c2c(Cl)cccc2Cl)cc1 |(-26.47,3.35,;-25.13,2.58,;-23.8,3.35,;-22.47,2.58,;-21.13,3.35,;-19.8,2.58,;-18.47,3.35,;-17.13,2.58,;-15.8,3.35,;-14.46,2.58,;-13.13,3.35,;-11.8,2.58,;-11.8,1.04,;-10.46,.27,;-9.13,1.04,;-7.8,.27,;-6.46,1.04,;-5.13,.27,;-3.79,1.04,;-2.33,.57,;-1.43,1.81,;-2.33,3.06,;-1.93,4.55,;-.44,4.95,;-3.02,5.64,;-3.79,2.58,;-5.13,3.35,;-5.13,4.89,;-6.46,2.58,;-1.93,-.92,;-.44,-1.32,;.33,.02,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-9.13,2.58,;-10.46,3.35,)|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CCN1CCN(Cc2ccc(Nc3ncc4CCc5nn(CC)c(C(C)C)c5-c4n3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc4CCc5nc(CC)n(C(C)C)c5-c4n3)nc2)CC1
CCc1nc2CCc3cnc(Nc4ccc(CN5CCNCC5)cn4)nc3-c2n1C(C)C
CCN1CCN(Cc2ccc(Nc3ncc4Cc5nc(CC)n(C(C)C)c5-c4n3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc4Cc5nc(C)n(C(C)C)c5-c4n3)nc2)CC1
CC(C)n1c(C)nc2Cc3cnc(Nc4ccc(CN5CCNCC5)cn4)nc3-c12
C1CCC(C1)n1ncc2CCc3cnc(Nc4ccc(cn4)N4CCCCC4)nc3-c12
CCN1CCN(CC1)c1ccc(Nc2ncc3CCc4cnn(C(C)C)c4-c3n2)nc1
C1c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2-c2nc(Nc3ccc(cn3)N3CCNCC3)ncc12
CC(C)c1c2C3N=C(Cc4ccc(cn4)N4CCNCC4)N=CC3CCc2nn1C |c:23,t:6|
CCn1nc-2c(CCc3cnc(Nc4ccc(cn4)N4CCNCC4)nc-23)c1C(C)C
CCc1nc-2c(Cc3cnc(Nc4ccc(cn4)N4CCNCC4)nc-23)n1CC
CCc1nc2CCc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3-c2n1C(C)C
CC(C)n1c(C)nc2CCc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3-c12
CC(C)n1ncc2CCc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3-c12
CC(C)c1[nH]nc2CCc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3-c12
CC(C)c1c-2c(COc3cnc(Nc4ccc(cn4)N4CCNCC4)nc-23)nn1C
CC(C)c1c-2c(Cc3cnc(Nc4ccc(cn4)N4CCNCC4)nc-23)nn1C1CC1
CCc1nc2Cc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3-c2n1CC1CC1
CCc1nc2Cc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3-c2n1CC1CCCC1
CCN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(CC)c4C(C)C)-c3n2)nc1
C1CC1c1nc-2c(CCc3cnc(Nc4ccc(cn4)N4CCNCC4)nc-23)n1C1CCCC1
CC(C)n1c(C)nc-2c1C(C)(C)Cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc-21
CC(C)n1c(C)nc2-c3nc(Nc4ccc(cn4)N4CCNCC4)ncc3C(C)(C)c12
CCn1nc-2c(c1C(C)C)C(C)(C)Cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc-21
CCn1nc2-c3nc(Nc4ccc(cn4)N4CCNCC4)ncc3C(C)c2c1C(C)C
CCN1CCN(CC1)c1ccc(Nc2ncc3CC(C)(C)c4nn(CC)c(C(C)C)c4-c3n2)nc1
CC(C)c1c2-c3nc(Nc4ccc(cn4)N4CCNCC4)ncc3C3(CC3)c2nn1C
CC(C)c1n(C)nc2n(C)c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3c12
COCc1nn(C(C)C)c-2c1CCc1cnc(Nc3ccc(cn3)N3CCNCC3)nc-21
CN1CCN(CC1)c1ccc(Nc2ncc3CCc4nn(C)c(C)c4-c3n2)nc1
CN1CCN(Cc2ccc(Nc3ncc4CCc5nn(C)c(C)c5-c4n3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C(C)C)c4c3)nc2)CC1
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccn(C3CCNCC3)c(=O)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(O)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)CN(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCCNCC2)ncc1F
Fc1cnc(Nc2ccc(cn2)N2CCCNCC2)nc1-c1cc(F)c2OCCN(C3CCCC3)c2c1
CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
Fc1cc(cc2N(CCOc12)C1CCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cc(no2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cnn(c2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)C2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cc(n[nH]2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CCNC(=O)c3c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1F
Fc1cc(cc2N(CCOc12)C1CCCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2=O)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)S(=O)(=O)NCCN(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(CN)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
COCCNS(=O)(=O)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C(C)C)c3c2)cc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccc2OCCOc2c1
C[C@@]1(O)CCC[C@H]1Nc1nccc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12 |r|
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(N[C@@H]2CCC[C@@]2(C)O)n1 |r|
CS(=O)(=O)N1CCC(CC1)Sc1ncc2ccnc(C3CCCC3O)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N[C@H]3CCCC3(F)F)c2n1)C(F)F |r|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N[C@@H]3CCCC3(F)F)c2n1)C(F)F |r|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCN(CC3)C3CC3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCC4(CC(F)(F)C4)C3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCC4(CC4(F)F)C3)c2n1
CN1CCN(CC1)c1ccc(Nc2ncc3ccnc(N4CCC5(CC(F)(F)C5)C4)c3n2)cc1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCC(C3)(C#N)C3CC3)c2n1
CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc3ccnc(N4CCC5(CC(F)(F)C5)C4)c3n2)nc1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCC4(C3)CCOCC4)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CC4(CN(C4)C4CC4)C3)c2n1
CN1CCN(CC1)c1ccc(Nc2ncc3ccnc(N4CCC5(CCN(C5)S(C)(=O)=O)C4)c3n2)cc1
CN1CCn2nc(Nc3ncc4ccnc(N5CCC6(CC6(F)F)C5)c4n3)cc2C1
CN1CC2(C1)CN(CC2(F)F)c1nc(C)cc2cnc(NC3CCN(CC3)S(=O)(=O)c3cnn(C)c3)nc12
CN1CC2(C1)CN(CC2(F)F)c1nc(C)cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12
CN1CC2(C1)CN(CC2(F)F)c1nc(C)cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc12
CS(=O)(=O)N1CC(C1)Nc1ncc2ccnc(N3CCC4(CC4(F)F)C3)c2n1
CN1C[C@H]2[C@@H](C1)[C@@H]2Nc1ncc2ccnc(N3CCC4(CCN(C4)S(C)(=O)=O)C3)c2n1 |r|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(C3C[C@@H]4[C@H](C3)S(=O)(=O)c3ccccc43)c2n1 |r|
CN1C[C@H]2[C@@H](C1)[C@@H]2Nc1ncc2ccnc(N3CCC4(CC4(F)F)C3)c2n1 |r|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CC4(CCCC4)c4c3cccc4F)c2n1
CN1CCC(CC1)n1cc(Nc2ncc3ccnc(N4CCC5(CC5(F)F)C4)c3n2)cn1
CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc3ccnc(N4CCC5(CC5(F)F)C4)c3n2)nc1
CN1Cc2ccc(Nc3ncc4ccnc(N5CCC6(CC6(F)F)C5)c4n3)nc2C1
CN1Cc2ccc(Nc3ncc4ccnc(N5CCC6(CCN(C6)S(C)(=O)=O)C5)c4n3)cc2C1
CN1Cc2ccc(Nc3ncc4ccnc(N5CC6(C5)CS(=O)(=O)C6)c4n3)cc2C1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(C1)CCNC2
CN1CC2(CC(C2)n2cc(Nc3ncc4cc(C)nc(N5CC6(C5)CN(C6)S(C)(=O)=O)c4n3)cn2)C1
CN1CC2(C1)CN(C2)c1nc(C)cc2cnc(Nc3ccc4CN(Cc4c3)S(C)(=O)=O)nc12
CN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cc(C)nc(N4CCC(C4)(C#N)C4CC4)c3n2)cc1
CN1CC2(C1)CN(C2)c1nc(C)cc2cnc(Nc3ccc4CN(Cc4c3)C3CN(C3)S(C)(=O)=O)nc12
CN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cc(C)nc(N4CC5(C4)CS(=O)(=O)C5)c3n2)cc1
CN1CC2(C1)CN(C2)c1nc(C)cc2cnc(N\C(C=N)=C\NC3CN(CC#N)C3)nc12
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(CNC2)C1
CN1CC2(CC(C2)n2cc(Nc3ncc4cc(C)nc(N5CCC6(CC6(F)F)C5)c4n3)cn2)C1
CN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cc(C)nc(N4CCC5(CC5(F)F)C4)c3n2)cc1
CN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cc(C)nc(N4CCC5(C4)CCOCC5)c3n2)cc1
CN(C)C1(Cn2cc(Nc3ncc4cc(C)nc(N5CCC6(CC6(F)F)C5)c4n3)cn2)CC1
Cc1cc2cnc(Nc3cc4CN(Cc4cc3F)S(C)(=O)=O)nc2c(n1)N1CC2(CNC2)C1
CN(C)C1(Cn2cc(Nc3ncc4cc(C)nc(N5CCC(C5)(C#N)C5CC5)c4n3)cn2)CC1
Cc1cc2cnc(Nc3cc4CN(Cc4cc3F)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CCNC2
CN(C)C[C@H]1CC[C@@H](CC1)Nc1ncc2cc(C)nc(N3CCC4(CC4(F)F)C3)c2n1 |r,wU:7.10,wD:4.3,(-8.46,-4.26,;-7.13,-3.49,;-7.13,-1.95,;-5.79,-4.26,;-4.46,-3.49,;-3.13,-4.26,;-1.79,-3.49,;-1.79,-1.95,;-3.13,-1.18,;-4.46,-1.95,;-.46,-1.18,;.88,-1.95,;.88,-3.49,;2.21,-4.26,;3.54,-3.49,;4.88,-4.26,;6.21,-3.49,;7.54,-4.26,;6.21,-1.95,;4.88,-1.18,;4.88,.36,;3.63,1.26,;4.11,2.73,;5.65,2.73,;5.81,4.26,;7.05,3.36,;8.3,2.45,;8.46,3.98,;6.12,1.26,;3.54,-1.95,;2.21,-1.18,)|
Cc1cc2cnc(NC3CCC(CC3)S(C)(=O)=O)nc2c(n1)N1CCC2(CC2(F)F)C1 |(6.88,-3.59,;5.54,-2.82,;4.21,-3.59,;2.88,-2.82,;1.54,-3.59,;.21,-2.82,;.21,-1.28,;-1.13,-.51,;-2.46,-1.28,;-3.79,-.51,;-5.13,-1.28,;-5.13,-2.82,;-3.79,-3.59,;-2.46,-2.82,;-6.46,-3.59,;-7.79,-4.36,;-7.23,-2.26,;-5.69,-4.93,;1.54,-.51,;2.88,-1.28,;4.21,-.51,;5.54,-1.28,;4.21,1.03,;2.96,1.93,;3.44,3.4,;4.98,3.4,;5.14,4.93,;6.39,4.02,;7.63,3.12,;7.79,4.65,;5.46,1.93,)|
Cc1cc2cnc(NC3CCC(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(CN(C2)C2CC2)C1 |(7.34,-5.26,;6,-4.49,;4.67,-5.26,;3.33,-4.49,;2,-5.26,;.67,-4.49,;.67,-2.95,;-.67,-2.18,;-2,-2.95,;-3.33,-2.18,;-4.67,-2.95,;-4.67,-4.49,;-3.33,-5.26,;-2,-4.49,;-6,-5.26,;-7.34,-6.03,;-6.77,-3.92,;-5.23,-6.59,;2,-2.18,;3.33,-2.95,;4.67,-2.18,;6,-2.95,;4.67,-.64,;5.76,.45,;4.67,1.54,;5.76,2.63,;4.67,3.72,;3.58,2.63,;4.67,5.26,;5.44,6.59,;3.9,6.59,;3.58,.45,)|
CN1CC2CC1CC2Nc1ncc2cc(C)nc(N3CCC4(CC4(F)F)C3)c2n1
CN1Cc2ccc(Nc3ncc4cc(C)nc(N5CC6(CN(C6)C6CC6)C5)c4n3)cc2C1
CN(C)C[C@H]1CC[C@H](CC1)Nc1ncc2cc(C)nc(N3CCC4(CC4(F)F)C3)c2n1 |r,wU:7.10,4.3,(-8.46,-4.26,;-7.13,-3.49,;-7.13,-1.95,;-5.79,-4.26,;-4.46,-3.49,;-4.46,-1.95,;-3.13,-1.18,;-1.79,-1.95,;-1.79,-3.49,;-3.13,-4.26,;-.46,-1.18,;.88,-1.95,;.88,-3.49,;2.21,-4.26,;3.54,-3.49,;4.88,-4.26,;6.21,-3.49,;7.54,-4.26,;6.21,-1.95,;4.88,-1.18,;4.88,.36,;3.63,1.26,;4.11,2.73,;5.65,2.73,;5.81,4.26,;7.05,3.36,;8.3,2.45,;8.46,3.98,;6.12,1.26,;3.54,-1.95,;2.21,-1.18,)|
FC(F)c1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(C1)CCNC2
Cc1cc2cnc(Nc3ccc4CN(Cc4c3)C3CC3)nc2c(n1)N1CC2(C1)CCNC2
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(CN(C2)C2CC2)C1
CN1CCC2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(=O)(=O)C4CC4)nc23)C1
FC(F)c1cc2cnc(Nc3ccc4CN(Cc4c3)C3CC3)nc2c(n1)N1CC2(C1)CCNC2
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)CC3CCCC3)nc2c(n1)N1CC2(C1)CCNC2
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCC2(CCC2(F)F)C1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCC2(CC(F)(F)C2)C1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCC2(CC2)C1
FC(F)c1cc2cnc(NC3CCN(CC3)S(=O)(=O)CC3CCC3)nc2c(n1)N1CC2(C1)CCNC2
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(O)(C1)C1CC1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(C1)OC1CC1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CCC(C1)OC(F)F
CN1CC2(C1)CCN(C2)c1nc(C)cc2cnc(NC3CCN(CC3)S(=O)(=O)C3(C)CC3)nc12
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N3CC4(CNC4)C(F)(F)C3)c2n1)C1CC1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(C1)CCNCC2(F)F
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(CNC2)C(F)(F)C1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3(C)CC3)nc2c(n1)C1CC(C)(O)C1 |(8,-3.3,;6.67,-2.53,;5.33,-3.3,;4,-2.53,;2.67,-3.3,;1.33,-2.53,;1.33,-.99,;,-.22,;-1.33,-.99,;-1.33,-2.53,;-2.67,-3.3,;-4,-2.53,;-4,-.99,;-2.67,-.22,;-5.33,-3.3,;-6.1,-1.96,;-4.56,-4.63,;-6.67,-4.07,;-5.33,-4.84,;-8,-4.84,;-8,-3.3,;2.67,-.22,;4,-.99,;5.33,-.22,;6.67,-.99,;5.33,1.32,;4.25,2.41,;5.33,3.5,;6.1,4.84,;4.56,4.84,;6.42,2.41,)|
COCCN1CC2(C1)CN(C2)c1nc(cc2cnc(NC3CCN(CC3)S(=O)(=O)CC3CCC3)nc12)C1CC1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N3CC4(C3)CNCCC4(F)F)c2n1)C(F)F
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(CC(O)C2)C1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)CCC3(C)CC3)nc2c(n1)N1CC2(CNC2)C(F)(F)C1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(CCF)(C1)C#N
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)C1CC(C)(CO)C1 |(7.34,-3.52,;6,-2.75,;4.67,-3.52,;3.33,-2.75,;2,-3.52,;.67,-2.75,;.67,-1.21,;-.67,-.44,;-2,-1.21,;-2,-2.75,;-3.33,-3.52,;-4.67,-2.75,;-4.67,-1.21,;-3.33,-.44,;-6,-3.52,;-7.34,-4.29,;-6.77,-2.18,;-5.23,-4.85,;2,-.44,;3.33,-1.21,;4.67,-.44,;6,-1.21,;4.67,1.1,;3.58,2.19,;4.67,3.28,;3.58,4.37,;5.29,4.69,;6.83,4.85,;5.76,2.19,)|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N3CC4(C3)CNCCO4)c2n1)C1CC1
COC1CC2(C1)CN(C2)c1nc(C)cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc12
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(C1)N1CC(F)C1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(CC(O)C2)C1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(CS(C)(=O)=O)C1
COC1CC2(C1)CN(C2)c1nc(cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12)C1CC1
COC1CC2(C1)CN(C2)c1nc(C)cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CCC(=O)N2
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(C1)CC(C)(O)C2
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CC(C)(O)C2
COCCN1CC2(CC(C2)c2nc(cc3cnc(NC4CCN(CC4)S(=O)(=O)CC4CCC4)nc23)C2CC2)C1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CNC(=O)C2
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CCC(=O)NC2
Cc1cc2cnc(Nc3ccc(CS(C)(=O)=O)cc3)nc2c(n1)N1CC(O)(C1)C1CC1
CN1CCOC2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CNCC2(F)F
Cc1cc2cnc(N[C@@H]3CCOC[C@H]3O)nc2c(n1)N1CC(O)(C1)C1CC1 |r|
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)c3cnn(C)c3)nc2c(n1)N1CC2(C1)CCNCC2(F)F
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)C1CC(O)(C1)C1CC1 |(7.34,-4.17,;6,-3.4,;4.67,-4.17,;3.33,-3.4,;2,-4.17,;.67,-3.4,;.67,-1.86,;-.67,-1.09,;-2,-1.86,;-2,-3.4,;-3.33,-4.17,;-4.67,-3.4,;-4.67,-1.86,;-3.33,-1.09,;-6,-4.17,;-7.34,-4.94,;-6.77,-2.84,;-5.23,-5.5,;2,-1.09,;3.33,-1.86,;4.67,-1.09,;6,-1.86,;4.67,.45,;5.76,1.54,;4.67,2.63,;5.44,3.96,;3.58,1.54,;3.9,3.96,;3.9,5.5,;2.56,4.73,)|
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)c3cnn(C)c3)nc2c(n1)N1CC2(CNC2)C(F)(F)C1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CCNCC2(F)F
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC(O)(C1)C(F)F
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(CNC2)C(F)(F)C1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)C1CC(O)(C1)C(F)F |(7.34,-4.07,;6,-3.3,;4.67,-4.07,;3.33,-3.3,;2,-4.07,;.67,-3.3,;.67,-1.76,;-.67,-.99,;-2,-1.76,;-2,-3.3,;-3.33,-4.07,;-4.67,-3.3,;-4.67,-1.76,;-3.33,-.99,;-6,-4.07,;-7.34,-4.84,;-6.77,-2.73,;-5.23,-5.4,;2,-.99,;3.33,-1.76,;4.67,-.99,;6,-1.76,;4.67,.55,;5.76,1.64,;4.67,2.73,;5.44,4.07,;3.58,1.64,;3.9,4.07,;2.36,4.07,;4.67,5.4,)|
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)c3ccn(C)n3)nc2c(n1)N1CC2(CNC2)C(F)(F)C1
CCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)nc(N3CC4(CNC4)C(F)(F)C3)c2n1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CNCC2F
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CNCC2C(F)F
CN1CC2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C(F)(F)C1
CN1C[C@H](F)C2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1 |r|
CN1C[C@@H](F)C2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1 |r|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(C3CCCC3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCCC3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCC4(CC(F)(F)C4)C3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCC4(CS(=O)(=O)C4)C3)c2n1
CCN(CC)c1cccc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12
CC(=O)N1CCC2(CCN(C2)c2cccc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCCC4(CCOC4)C3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCCC4(COC4)C3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCOC4(CC4)C3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCC3CO)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCN(CC3)C3COC3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCN(CC3)S(C)(=O)=O)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCN(CC3)C3CC3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CC(CC#N)C3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCC4(CNC4)C3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CC4(CCOCC4)C3C3CC3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCN(CC4CC4)CC3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CC4(CC(O)C4)C3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CC4(CCS4(=O)=O)C3)c2n1
CS(=O)(=O)N1CCC(Cc2cc3ccccc3cn2)CC1
CC1(C)CC2(CN(C2)c2cccc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCC4(COC4)C3)c2n1
CS(=O)(=O)N1CCC2(CCN(C2)c2cccc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1
CN1CC2(C1)CCN(C2)c1cccc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12
CC(=O)N1CCC2(CCN(C2)c2cccc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)CC1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCC4(C3)CCOCC4)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCC(C3)(C#N)C3CC3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCC4(C3)CCC(F)(F)CC4)c2n1
CN1CCN(CC1)C1CCN(C1)c1cccc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CC4CC(C3)O4)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CC4(C3)CCNC4)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCC(C3)N3CCC3)c2n1
CN1CCN(CC1)c1ccc(Nc2ncc3cccc(N4CCC5(CCN(C5)C(C)=O)C4)c3n2)cc1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCC4(CCC(F)(F)C4)C3)c2n1
CC(=O)N1CCC2(CCC(C2)c2cccc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1
COCCN1CC2(C1)CN(C2)c1cccc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CCC4(CCC4(F)F)C3)c2n1
CN1CCc2cc(Nc3ncc4cccc(N5CCC6(CCN(C6)C(C)=O)C5)c4n3)ccc2C1
COCCN1CCC2(CN(C2)c2cccc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1
CN1CCC2(CN(C2)c2cccc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1
CC(=O)N1CCC2(CCN(C2)c2cccc3cnc(Nc4ccc(cn4)N4CC5(COC5)C4)nc23)C1
CN1CC2(C1)CCN(C2)c1cccc2cnc(Nc3ccc(cn3)N3CC4(COC4)C3)nc12
COCCN1CC2(C1)CCN(C2)c1cccc2cnc(Nc3ccc(cn3)N3CC4(COC4)C3)nc12
CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cccc(N4CC5(CCS5(=O)=O)C4)c3n2)nc1
CC(=O)N1CCC2(CCN(C2)c2c(F)ccc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1
CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cccc(N4CCC5(CCN(C5)C(C)=O)C4)c3n2)nc1
CC(=O)N1CCC2(CCN(C2)c2cccc3cnc(Nc4ccc(cn4)N4CC5(C4)CC(F)(F)C5)nc23)C1
CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cccc(N4CC5(CC(C)C5)C4)c3n2)nc1
CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cccc(N4CC5(C4)CC(F)(F)C5)c3n2)nc1
CC(=O)N1CCC2(CCN(C2)c2cc(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C(F)F)C1
CN1CCN(CC1)c1ccc(Nc2ncc3cc(cc(N4CCC5(CCN(C5)C(C)=O)C4)c3n2)C(F)F)cc1
CC(C)n1cc(Nc2ncc3cc(cc(N4CCC5(CCN(C5)C(C)=O)C4)c3n2)C(F)F)cn1
FC(F)c1cc(N2CCC3(CC3(F)F)C2)c2nc(N[C@@H]3[C@H]4CNC[C@@H]34)ncc2c1
CN1C[C@H]2[C@@H](C1)[C@H]2Nc1ncc2cc(cc(N3CCC4(CS(=O)(=O)C4)C3)c2n1)C(F)F
CN1CC2(CCN(C2)c2cccc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)CCC1=O
CN1C[C@H]2[C@@H](C1)[C@@H]2Nc1ncc2cc(cc(N3CCC4(CCN(C4)S(C)(=O)=O)C3)c2n1)C(F)F |r|
CN1CC2(C1)CN(C2)c1cc(cc2cnc(Nc3ccc4CN(C)Cc4c3)nc12)C(F)F
CN1Cc2ccc(Nc3ncc4cc(cc(N5CC6(C5)CN(C6)S(C)(=O)=O)c4n3)C(F)F)cc2C1
CN1CC(C1)n1cc(Nc2ncc3cc(cc(N4CC5(CN(C)C5)C4)c3n2)C(F)F)cn1
CN1CC2(CC(C2)n2cc(Nc3ncc4cc(cc(N5CCC(C5)(C#N)C5CC5)c4n3)C(F)F)cn2)C1
CN1Cc2cc(F)c(Nc3ncc4cc(cc(N5CC6(CNC6)C5)c4n3)C(F)F)cc2C1
CN1CC2(C1)CCN(C2)c1cc(cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12)C(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(N3CC4(C3)CCNC4)c2n1)C(F)F
CN1CC2(C1)CCN(C2)c1cc(cc2cnc(NC3CCN(CC3)c3ncc(cn3)C3CC3)nc12)C(F)F
CN1Cc2ccc(Nc3ncc4cc(cc(N5CC6(CN(C6)C6CC6)C5)c4n3)C(F)F)cc2C1
CN1CC2(C1)CCN(C2)c1cc(cc2cnc(Nc3ccc4CN(C)Cc4c3)nc12)C(F)F
CN1CC2(CC(C2)c2cc(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C(F)F)C1
FC(F)c1cc(N2CC3(C2)CCNC3)c2nc(NC3CCN(CC3)c3ncc(cn3)C3CC3)ncc2c1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(N3CC4(CN(C4)C4CC4)C3)c2n1)C(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(C3CC4(C3)CCNC4)c2n1)C(F)F |(8,-4.58,;6.67,-3.81,;5.9,-5.15,;7.44,-2.48,;5.33,-3.04,;4,-3.81,;2.67,-3.04,;2.67,-1.5,;4,-.73,;5.33,-1.5,;1.33,-.73,;,-1.5,;,-3.04,;-1.33,-3.81,;-2.67,-3.04,;-4,-3.81,;-5.33,-3.04,;-5.33,-1.5,;-4,-.73,;-4,.81,;-2.91,1.9,;-4,2.98,;-5.09,1.9,;-2.76,3.89,;-3.23,5.35,;-4.77,5.35,;-5.25,3.89,;-2.67,-1.5,;-1.33,-.73,;-6.67,-3.81,;-6.67,-5.35,;-8,-3.04,)|
CN1CC2(C1)CCN(C2)c1cc(cc2cnc(NC3CCN(CC3)c3ncc4ccn(C5CC5)c4n3)nc12)C(F)F
CS(=O)(=O)N1Cc2ccc(Nc3ncc4cc(cc(N5CCC5)c4n3)C(F)F)cc2C1
CN1CC2(C1)CCN(C2)c1cc(cc2C=NC(Nc3ccc4CNCc4c3)(Nc12)S(C)(=O)=O)C(F)F |c:16|
FC(F)c1cc(N2CC3(C2)CCNC3)c2nc(NC3CCN(CC3)S(=O)(=O)C3CC3)ncc2c1
Cn1ncc2cc(Nc3ncc4cc(cc(N5CC6(C5)CCNC6)c4n3)C(F)F)ccc12
COCCN1CC2(C1)CN(C2)c1cc(cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc12)C(F)F
CN1CC2(C1)CCN(C2)c1cc(cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc12)C(F)F
FC(F)c1cc(N2CC3(CN(C3)C3CC3)C2)c2nc(NC3CCN(CC3)S(=O)(=O)C3CC3)ncc2c1
CN1CCc2cc(Nc3ncc4cc(cc(N5CC6(CN(C6)C6CC6)C5)c4n3)C(F)F)ccc2C1
FC(F)c1cc(N2CC3(C2)CCCNC3)c2nc(NC3CCN(CC3)S(=O)(=O)C3CC3)ncc2c1
CN1CCC2(CN(C2)c2cc(cc3cnc(NC4CCN(CC4)S(=O)(=O)C4CC4)nc23)C(F)F)C1
FC(F)c1cc(N2CC3(C2)CCNC3)c2nc(Nc3ccc4CN(Cc4c3)C3CC3)ncc2c1
CN1CC2(C1)CCN(C2)c1cc(cc2cnc(NC3CCN(CC3)S(=O)(=O)C3(C)CC3)nc12)C(F)F
FC(F)c1cc(N2CCC3(CNC3)C2)c2nc(NC3CCN(CC3)S(=O)(=O)CC3CCC3)ncc2c1
FC(F)c1cc(N2CC3(C2)CCNC3)c2nc(NC3CCN(CC3)S(=O)(=O)CC3CC3)ncc2c1
FC(F)c1cc(N2CC3(C2)CCNC3)c2nc(NC3CCN(CC3)S(=O)(=O)CC3CCC3)ncc2c1
CC1(CC1)S(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(N3CC4(C3)CCNC4)c2n1)C(F)F
FC(F)c1cc(N2CCC3(CNC3)C2)c2nc(NC3CCN(CC3)S(=O)(=O)C3(CC3)C(F)F)ncc2c1
COCCN1CC2(CC(C2)c2cc(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C(F)F)C1
FC(F)CN1CC2(CC(C2)c2cc(cc3cnc(NC4CCN(CC4)S(=O)(=O)C4CC4)nc23)C(F)F)C1
FC(F)c1cc(C2CC3(C2)CCNC3)c2nc(NC3CCN(CC3)S(=O)(=O)C3(CC3)C(F)F)ncc2c1 |(-7.89,-4.87,;-7.89,-3.33,;-9.22,-2.56,;-6.56,-2.56,;-6.56,-1.02,;-5.22,-.25,;-5.22,1.29,;-4.13,2.38,;-5.22,3.47,;-6.31,2.38,;-3.98,4.38,;-4.45,5.84,;-5.99,5.84,;-6.47,4.38,;-3.89,-1.02,;-2.56,-.25,;-1.22,-1.02,;.11,-.25,;1.45,-1.02,;1.45,-2.56,;2.78,-3.33,;4.11,-2.56,;4.11,-1.02,;2.78,-.25,;5.45,-3.33,;4.68,-4.66,;6.22,-1.99,;7.18,-4.33,;6.91,-5.84,;8.36,-5.32,;7.71,-2.88,;6.72,-1.7,;9.22,-2.61,;-1.22,-2.56,;-2.56,-3.33,;-3.89,-2.56,;-5.22,-3.33,)|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(C3CC4(CNC4)C(F)(F)C3)c2n1)C(F)F
FC(F)c1cc(N2CC3(C2)CCNC3)c2nc(NC3CCN(CC3)S(=O)(=O)C3(CC3)C(F)F)ncc2c1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(N3CC4(C3)CCNCC4(F)F)c2n1)C(F)F
CC1(CS(=O)(=O)N2CCC(CC2)Nc2ncc3cc(cc(N4CC5(C4)CCNC5)c3n2)C(F)F)CC1
CC1(CCS(=O)(=O)N2CCC(CC2)Nc2ncc3cc(cc(N4CC5(C4)CCNC5)c3n2)C(F)F)CC1
FC(F)c1cc(N2CC3(C2)CCNC3)c2nc(NC3CCN(CC3)S(=O)(=O)c3ccc(nc3)C(F)(F)F)ncc2c1
FC(F)c1cc(N2CC3(C2)CNCCO3)c2nc(NC3CCN(CC3)S(=O)(=O)C3CC3)ncc2c1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(C3CC4(C3)CCNC4)c2n1 |(6.67,-4.69,;5.33,-3.92,;4.56,-5.25,;6.1,-2.58,;4,-3.15,;2.67,-3.92,;1.33,-3.15,;1.33,-1.61,;2.67,-.84,;4,-1.61,;,-.84,;-1.33,-1.61,;-1.33,-3.15,;-2.67,-3.92,;-4,-3.15,;-5.33,-3.92,;-6.67,-3.15,;-6.67,-1.61,;-5.33,-.84,;-5.33,.7,;-4.25,1.79,;-5.33,2.88,;-6.42,1.79,;-4.09,3.79,;-4.56,5.25,;-6.1,5.25,;-6.58,3.79,;-4,-1.61,;-2.67,-.84,)|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(C3CC4(C3)CCN(CC(F)F)C4)c2n1)C(F)F |(-8.06,-5.75,;-6.72,-4.98,;-7.49,-3.65,;-5.95,-6.31,;-5.39,-4.21,;-4.06,-4.98,;-2.72,-4.21,;-2.72,-2.67,;-4.06,-1.9,;-5.39,-2.67,;-1.39,-1.9,;-.06,-2.67,;-.06,-4.21,;1.28,-4.98,;2.61,-4.21,;3.95,-4.98,;5.28,-4.21,;5.28,-2.67,;3.95,-1.9,;3.95,-.36,;5.03,.73,;3.95,1.82,;2.86,.73,;2.7,2.72,;3.18,4.19,;4.72,4.19,;5.62,5.43,;7.15,5.27,;8.06,6.52,;7.78,3.87,;5.19,2.72,;2.61,-2.67,;1.28,-1.9,;6.61,-4.98,;7.95,-4.21,;6.61,-6.52,)|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(C3CC4(C3)CCN(CCC(F)(F)F)C4)c2n1)C(F)F |(8.82,-6.45,;7.49,-5.68,;6.72,-7.02,;8.26,-4.35,;6.16,-4.91,;4.82,-5.68,;3.49,-4.91,;3.49,-3.37,;4.82,-2.6,;6.16,-3.37,;2.15,-2.6,;.82,-3.37,;.82,-4.91,;-.51,-5.68,;-1.85,-4.91,;-3.18,-5.68,;-4.51,-4.91,;-4.51,-3.37,;-3.18,-2.6,;-3.18,-1.06,;-2.09,.03,;-3.18,1.12,;-4.27,.03,;-1.93,2.02,;-2.41,3.49,;-3.95,3.49,;-4.86,4.73,;-6.39,4.57,;-7.29,5.82,;-6.67,7.22,;-8.2,7.06,;-8.82,5.65,;-4.43,2.02,;-1.85,-3.37,;-.51,-2.6,;-5.85,-5.68,;-5.85,-7.22,;-7.18,-4.91,)|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(C3CC4(C3)CCN(C4)C3COC3)c2n1)C(F)F |(8,-6.09,;6.67,-5.32,;5.9,-6.65,;7.44,-3.98,;5.33,-4.55,;4,-5.32,;2.67,-4.55,;2.67,-3.01,;4,-2.24,;5.33,-3.01,;1.33,-2.24,;,-3.01,;,-4.55,;-1.33,-5.32,;-2.67,-4.55,;-4,-5.32,;-5.33,-4.55,;-5.33,-3.01,;-4,-2.24,;-4,-.7,;-2.91,.39,;-4,1.48,;-5.09,.39,;-2.76,2.39,;-3.23,3.85,;-4.77,3.85,;-5.25,2.39,;-5.68,5.1,;-5.44,6.62,;-6.96,6.86,;-7.2,5.34,;-2.67,-3.01,;-1.33,-2.24,;-6.67,-5.32,;-6.67,-6.86,;-8,-4.55,)|
CC(C)(F)CN1CCC2(CC(C2)c2cc(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C(F)F)C1 |(13.8,.97,;12.39,1.59,;13.02,3,;11.76,.19,;10.98,2.22,;9.74,1.31,;9.74,-.23,;8.27,-.7,;7.37,.54,;6.28,1.63,;5.19,.54,;6.28,-.54,;3.65,.54,;2.88,-.79,;1.34,-.79,;.57,.54,;1.34,1.88,;.57,3.21,;1.34,4.55,;2.88,4.55,;3.65,5.88,;5.19,5.88,;5.96,7.21,;7.5,7.21,;8.27,5.88,;7.5,4.55,;5.96,4.55,;9.81,5.88,;9.81,7.42,;11.35,5.88,;9.81,4.34,;3.65,3.21,;2.88,1.88,;.57,-2.12,;1.34,-3.46,;-.97,-2.12,;8.27,1.79,)|
FC(F)c1cc(N2CC3(C2)CNCC3F)c2nc(NC3CCN(CC3)S(=O)(=O)C3CC3)ncc2c1
FC(F)C1(CC1)S(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CC4(CNC4)C(F)(F)C3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(C3CC4(C3)CCN(CC(F)(F)CO)C4)c2n1)C(F)F |(8.82,-5.75,;7.49,-4.98,;6.72,-6.31,;8.26,-3.65,;6.16,-4.21,;4.82,-4.98,;3.49,-4.21,;3.49,-2.67,;4.82,-1.9,;6.16,-2.67,;2.15,-1.9,;.82,-2.67,;.82,-4.21,;-.51,-4.98,;-1.85,-4.21,;-3.18,-4.98,;-4.51,-4.21,;-4.51,-2.67,;-3.18,-1.9,;-3.18,-.36,;-2.09,.73,;-3.18,1.82,;-4.27,.73,;-1.93,2.72,;-2.41,4.19,;-3.95,4.19,;-4.86,5.43,;-6.39,5.27,;-7.63,4.37,;-6.23,3.74,;-7.29,6.52,;-8.82,6.36,;-4.43,2.72,;-1.85,-2.67,;-.51,-1.9,;-5.85,-4.98,;-5.85,-6.52,;-7.18,-4.21,)|
COC1CC2(C1)CC(C2)c1cccc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12 |(-6.67,6.31,;-5.33,5.54,;-5.33,4,;-6.42,2.91,;-5.33,1.82,;-4.25,2.91,;-4.25,.73,;-5.33,-.36,;-6.42,.73,;-5.33,-1.9,;-6.67,-2.67,;-6.67,-4.21,;-5.33,-4.98,;-4,-4.21,;-2.67,-4.98,;-1.33,-4.21,;-1.33,-2.67,;,-1.9,;1.33,-2.67,;1.33,-4.21,;2.67,-4.98,;4,-4.21,;4,-2.67,;2.67,-1.9,;5.33,-4.98,;6.67,-5.75,;4.56,-6.31,;6.1,-3.64,;-2.67,-1.9,;-4,-2.67,)|
COC1CC2(C1)CC(C2)c1cc(cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12)C(F)F |(-5.33,6.41,;-4,5.64,;-4,4.1,;-5.09,3.01,;-4,1.92,;-2.91,3.01,;-2.91,.84,;-4,-.25,;-5.09,.84,;-4,-1.79,;-5.33,-2.56,;-5.33,-4.1,;-4,-4.87,;-2.67,-4.1,;-1.33,-4.87,;,-4.1,;,-2.56,;1.33,-1.79,;2.67,-2.56,;2.67,-4.1,;4,-4.87,;5.33,-4.1,;5.33,-2.56,;4,-1.79,;6.67,-4.87,;8,-5.64,;5.9,-6.21,;7.44,-3.54,;-1.33,-1.79,;-2.67,-2.56,;-6.67,-4.87,;-6.67,-6.41,;-8,-4.1,)|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CC4(CNC4)C(F)(F)C3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(C3CC4(C3)CNCCO4)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CC4(C3)CNCC4(F)F)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(C3CC4(C3)CN(CC(F)(F)CO)C4)c2n1)C(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(C3CC(O)(C3)C(F)F)c2n1)C(F)F |(8,-4.73,;6.67,-3.96,;5.9,-5.3,;7.44,-2.63,;5.33,-3.19,;4,-3.96,;2.67,-3.19,;2.67,-1.65,;4,-.88,;5.33,-1.65,;1.33,-.88,;,-1.65,;,-3.19,;-1.33,-3.96,;-2.67,-3.19,;-4,-3.96,;-5.33,-3.19,;-5.33,-1.65,;-4,-.88,;-4,.66,;-2.91,1.75,;-4,2.84,;-3.23,4.17,;-5.09,1.75,;-4.77,4.17,;-4,5.5,;-6.31,4.17,;-2.67,-1.65,;-1.33,-.88,;-6.67,-3.96,;-6.67,-5.5,;-8,-3.19,)|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(C3CC(O)(C3)C3CC3)c2n1)C(F)(F)F |(8,-4.84,;6.67,-4.07,;5.9,-5.4,;7.44,-2.73,;5.33,-3.3,;4,-4.07,;2.67,-3.3,;2.67,-1.76,;4,-.99,;5.33,-1.76,;1.33,-.99,;,-1.76,;,-3.3,;-1.33,-4.07,;-2.67,-3.3,;-4,-4.07,;-5.33,-3.3,;-5.33,-1.76,;-4,-.99,;-4,.55,;-2.91,1.64,;-4,2.73,;-3.23,4.07,;-5.09,1.64,;-4.77,4.07,;-6.1,4.84,;-4.77,5.61,;-2.67,-1.76,;-1.33,-.99,;-6.67,-4.07,;-8,-4.84,;-6.67,-5.61,;-8,-3.3,)|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(N3CC4(C3)CNCC4(F)F)c2n1)C(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(cc(N3CC4(C3)CNCC4(F)F)c2n1)C(F)(F)F
O[C@@H]1COCC[C@H]1Nc1ncc2cc(cc(N3CC4(CNC4)C(F)(F)C3)c2n1)C(F)F
CS(=O)(=O)N1CC[C@@H](Nc2ncc3cc(cc(N4CC5(CNC5)C(F)(F)C4)c3n2)C(F)F)[C@H](O)C1
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(N3CC(O)(C3)C(F)F)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(C3CC(O)(C3)C(F)F)c2n1 |(7.16,-4.84,;5.82,-4.07,;5.05,-5.4,;6.59,-2.73,;4.49,-3.3,;3.16,-4.07,;1.82,-3.3,;1.82,-1.76,;3.16,-.99,;4.49,-1.76,;.49,-.99,;-.85,-1.76,;-.85,-3.3,;-2.18,-4.07,;-3.51,-3.3,;-4.85,-4.07,;-6.18,-3.3,;-6.18,-1.76,;-4.85,-.99,;-4.85,.55,;-3.76,1.64,;-4.85,2.73,;-4.08,4.07,;-5.94,1.64,;-5.62,4.07,;-4.85,5.4,;-7.16,4.07,;-3.51,-1.76,;-2.18,-.99,)|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(C3CC(CO)(C3)C(F)F)c2n1 |(6.46,-9.24,;8,-9.24,;8,-10.78,;9.54,-9.24,;8,-7.7,;9.34,-6.93,;9.34,-5.39,;8,-4.62,;6.67,-5.39,;6.67,-6.93,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;1.58,-5.71,;2.67,-6.8,;1.58,-7.89,;.09,-7.49,;3.76,-5.71,;3.76,-7.89,;5.24,-7.49,;3.36,-9.37,;4,-2.31,;5.33,-3.08,)|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cccc(C3CC4(C3)CNCC4(F)F)c2n1 |(-6.67,-4.69,;-5.33,-3.92,;-6.1,-2.58,;-4.56,-5.25,;-4,-3.15,;-2.67,-3.92,;-1.33,-3.15,;-1.33,-1.61,;-2.67,-.84,;-4,-1.61,;,-.84,;1.33,-1.61,;1.33,-3.15,;2.67,-3.92,;4,-3.15,;5.33,-3.92,;6.67,-3.15,;6.67,-1.61,;5.33,-.84,;5.33,.7,;6.42,1.79,;5.33,2.88,;4.25,1.79,;6.58,3.79,;6.1,5.25,;4.56,5.25,;4.09,3.79,;2.58,4.11,;3.06,2.64,;4,-1.61,;2.67,-.84,)|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(C1CC1)C1CC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(Cl)cnn12)C(C1CC1)C1CC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CC2)nc2ccnn12 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(cnn12)C#N)C(C1CC1)C1CC1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C1CC1)C1CC1 |r|
CC(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
C[C@@H](C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
C[C@H](C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC(C)(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC(C1CCCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(cnn12)C1CC1)C(C1CC1)C1CC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(F)cnn12)C(C1CC1)C1CC1 |r|
CCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C1CC1)C1CC1 |r|
CC1(Cc2cc(N[C@H]3CC[C@H](N)C3)n3nccc3n2)CC1 |r|
CC(C)(C=C)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C)(C)C=C |r|
CCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C)C1CC1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)CC2)n2nccc2n1 |r,wU:9.9,wD:12.13,(-2.56,-4.62,;-2.56,-3.08,;-3.9,-2.31,;-5.44,-2.31,;-4.67,-.98,;-1.23,-2.31,;-1.23,-.77,;.1,,;.1,1.54,;1.44,2.31,;1.44,3.85,;2.77,4.62,;4.1,3.85,;5.44,4.62,;4.1,2.31,;2.77,1.54,;1.44,-.77,;2.9,-.29,;3.81,-1.54,;2.9,-2.79,;1.44,-2.31,;.1,-3.08,)|
CC(C1CC1)(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CC(F)(F)C2)nc2ccnn12 |r|
CC(C)c1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C1CC1)C1CC1 |r|
CC(c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1)C1(C)CC1 |r|
C[C@@H](c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1)C1(C)CC1 |r|
C[C@H](c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1)C1(C)CC1 |r|
CC(c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1)C1(C)CC1 |r|
C[C@@H](c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1)C1(C)CC1 |r|
C[C@H](c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1)C1(C)CC1 |r|
CCC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC[C@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC[C@@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC1(Cc2cc(N[C@H]3CC[C@H](N)C3)n3ncc(Cl)c3n2)CC1 |r|
CCC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
CC[C@@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
CC[C@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
CC(C1CC1)c1cc(NC2CCNC2)n2ncc(F)c2n1
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
C[C@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
C[C@@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(cnn12)C(F)(F)F)C(C1CC1)C1CC1 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C)(C)C1CC1 |r|
CC(C)(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
CC(C)(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(F)c2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(F)(F)C1CC1 |r|
CC(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
C[C@H](C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
C[C@@H](C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
CC(C)(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C)(C)C1CCC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)[C@@H](F)C1CCC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)[C@H](F)C1CCC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(F)C1CCC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(F)C1CCCC1 |r|
CCC(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC(C)(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
CC(C1CC1)c1cc(NC2CCN(N)C2)n2ncc(Cl)c2n1
COC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
COC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CCC2)nc2ccnn12 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(CC3CCC3)nc12 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(CC3CC3)nc12 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(F)C1CC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CC2)nc2c(F)cnn12 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CC2)nc2c(Cl)cnn12 |r|
CC(C)(C=C)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
CC(C)(CC=C)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC(C)(C=C)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(F)c2n1 |r|
NN1CCC(C1)Nc1cc(nc2ccnn12)C(C1CC1)C1CC1
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C=C)c2n1 |r|
CC(=N)N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(Cl)cnn12)C(C1CC1)C1CC1 |r|
CC(C1CC1)c1cc(N[C@H]2C[C@H](N)C2)n2nccc2n1 |r,wU:9.9,wD:11.12,(-3.99,-5.66,;-3.99,-4.12,;-5.32,-3.35,;-6.86,-3.35,;-6.09,-2.02,;-2.65,-3.35,;-2.65,-1.81,;-1.32,-1.04,;-1.32,.5,;.01,1.27,;.41,2.76,;1.96,2.34,;3.31,3.09,;1.5,.87,;.01,-1.81,;1.48,-1.33,;2.38,-2.58,;1.48,-3.82,;.01,-3.35,;-1.32,-4.12,)|
C[C@@H](C1CC1)c1cc(N[C@H]2C[C@H](N)C2)n2nccc2n1 |r,wU:9.9,1.0,wD:11.12,(-2.17,-4.39,;-2.17,-2.85,;-3.51,-2.08,;-4.28,-.75,;-5.05,-2.08,;-.84,-2.08,;-.84,-.54,;.49,.23,;.49,1.77,;1.83,2.54,;2.23,4.02,;3.71,3.62,;5.05,4.39,;3.32,2.14,;1.83,-.54,;3.29,-.07,;4.2,-1.31,;3.29,-2.56,;1.83,-2.08,;.49,-2.85,)|
C[C@H](C1CC1)c1cc(N[C@H]2C[C@H](N)C2)n2nccc2n1 |r,wU:9.9,wD:11.12,1.0,(-2.17,-4.39,;-2.17,-2.85,;-3.51,-2.08,;-4.28,-.75,;-5.05,-2.08,;-.84,-2.08,;-.84,-.54,;.49,.23,;.49,1.77,;1.83,2.54,;2.23,4.02,;3.71,3.62,;5.05,4.39,;3.32,2.14,;1.83,-.54,;3.29,-.07,;4.2,-1.31,;3.29,-2.56,;1.83,-2.08,;.49,-2.85,)|
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
C[C@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
C[C@@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(N)=N)n2ncc(Cl)c2n1 |r|
CCC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(N)=N)n2nccc2n1 |r|
CC(=N)N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(cnn12)C(F)(F)F)C(C1CC1)C1CC1 |r|
CCC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(C)=N)n2nccc2n1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(N)=N)n2ncc(F)c2n1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(C)=N)n2ncc(F)c2n1 |r|
CC(=N)N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(F)cnn12)C(C1CC1)C1CC1 |r|
CC(C1CC1)c1cc(N[C@@H]2C[C@H](N)C2)n2nccc2n1 |r,wD:9.9,11.12,(-3.85,1.94,;-2.53,2.73,;-2.53,4.27,;-3.3,5.61,;-1.76,5.61,;-1.19,1.99,;-1.19,.45,;.15,-.32,;.15,-1.86,;-.94,-2.95,;-.94,-4.49,;-2.48,-4.49,;-3.54,-5.61,;-2.48,-2.95,;1.48,.45,;2.95,-.02,;3.85,1.22,;2.95,2.47,;1.48,1.99,;.15,2.76,)|
NS(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NN=CC5(CCCCC5)n4c3n2)cc1 |c:16|
CN1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
C[C@@H]1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |r|
CN1N=CC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |c:2|
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1C(=O)N(C)c2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1=NNc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1 |t:1|
CN1N=C(C)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |t:2|
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)cc1
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(=O)(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN(C)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
NC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CNC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CNC(=O)Nc1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)C(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
O=C(N1CCOCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CS(=N)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
Nc1ccc(cc1)S(=O)(=O)Nc1ncc2cc3NNC(=O)C4(CCCCC4)n3c2n1
Nc1ccc(cc1)S(=O)(=O)Nc1ncc2cc3C(=O)NCC4(CCCCC4)n3c2n1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OCC3CCCC3)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(O[C@H]3CCCC[C@H]3O)n2)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(O[C@H]3CCCC[C@@H]3O)n2)cc1 |r|
C[C@@]1(O)CCC[C@@H]1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CCC[C@H]1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CC(F)(F)C[C@@H]1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CC(F)(F)C[C@H]1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CCC[C@@H]1Oc1nc(N[C@@H]2CCN(C[C@@H]2F)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CCC[C@@H]1Oc1nc(N[C@@H]2CCN(C[C@H]2F)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CCC[C@H]1Oc1nc(N[C@@H]2CCN(C[C@@H]2F)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CCC[C@H]1Oc1nc(N[C@@H]2CCN(C[C@H]2F)S(C)(=O)=O)ncc1C#N |r|
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(O[C@H]2CCC(F)(F)C[C@@]2(C)O)n1 |r|
CC1(COc2nc(NC3CCN(CC3)S(=O)(=O)c3cn[nH]c3)ncc2C#N)CCCC1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OCC3CCC3)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3)n2)cc1
CC1CCCC1Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
CC1(COc2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2C#N)CCCC1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OCC3CCCCC3)n2)cc1
CC1(COc2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2C#N)CCCCC1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OCC3(CO)CCCC3)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OCC3(O)CCCCC3)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OCC3(CO)CCCCC3)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3CO)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OCC3CCCC3O)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3O)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC(O)C3)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCCCC3O)n2)cc1
CC1(O)CCCC1Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
CC1(O)CCCCC1Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
O[C@@H]1CCCC1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CCC2)ncc1C#N |r|
CNS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCC[C@H]3O)n2)cc1 |r|
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCC[C@H]3O)n2)cc1 |r|
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3)n2)cc1
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCC(O)C3)n2)cc1
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCCC3O)n2)cc1
OC1CCCCC1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2C[C@H](F)C2)ncc1C#N |r,wD:24.26,(5.28,3.85,;3.95,3.08,;2.62,3.85,;1.28,3.08,;1.28,1.54,;2.62,.77,;3.95,1.54,;5.28,.77,;5.28,-.77,;3.95,-1.54,;3.95,-3.08,;2.62,-3.85,;1.28,-3.08,;1.28,-1.54,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;-2.72,-.77,;-2.72,.77,;-3.81,-1.86,;-4.21,-.37,;-5.69,-.77,;-6.46,-2.1,;-7.8,-1.33,;-9.28,-1.73,;-7.03,,;5.28,-3.85,;6.62,-3.08,;6.62,-1.54,;7.95,-.77,;9.28,,)|
OC1CCCCC1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CC(F)C2)ncc1C#N |(5.28,3.85,;3.95,3.08,;2.62,3.85,;1.28,3.08,;1.28,1.54,;2.62,.77,;3.95,1.54,;5.28,.77,;5.28,-.77,;3.95,-1.54,;3.95,-3.08,;2.62,-3.85,;1.28,-3.08,;1.28,-1.54,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;-2.72,-.77,;-2.72,.77,;-3.81,-1.86,;-4.21,-.37,;-5.69,-.77,;-7.03,,;-7.8,-1.33,;-9.28,-1.73,;-6.46,-2.1,;5.28,-3.85,;6.62,-3.08,;6.62,-1.54,;7.95,-.77,;9.28,,)|
OC1CCCCC1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CC(F)(F)C2)ncc1C#N
CNS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCOCC3)n2)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3(C)O)n2)cc1
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3(C)O)n2)cc1
CCS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CCCC2(C)O)n1
CC1(O)CCCC1Oc1nc(NC2CCN(CC2)S(=O)(=O)CF)ncc1C#N
CC1(O)CCCC1Oc1nc(NC2CCN(CC2)S(=O)(=O)CC2CC2)ncc1C#N
CC(C)CS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CCCC2(C)O)n1
CC1(O)CCCC1Oc1nc(NC2CCN(CC2)S(=O)(=O)CC2CCOC2)ncc1C#N
COCCS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CCCC2(C)O)n1
CC1(O)CCCC1Oc1nc(NC2CCN(CC2)S(=O)(=O)CC(F)(F)F)ncc1C#N
CC1(O)CC(F)(F)CC1Oc1nc(NC2CCN(CC2)S(=O)(=O)CC2CC2)ncc1C#N
CC1(O)COCCC1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N
CC1(O)CCC(F)(F)CC1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N
CC1(O)CC(F)(F)CCC1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CCCC2(C)O)n1
Cn1cc(cn1)S(=O)(=O)N1CCC(Nc2ncc(C#N)c(OC3CCCC3(C)O)n2)C(F)C1
Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CCCC2(C)O)n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CCCC2)n1
CC1(COc2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2C#N)CCC1
CC1(COc2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2C#N)CCCC1
CNS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OCC2(C)CCCC2)n1
CC1(COc2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2C#N)CCCC1
CC1(COc2nc(NC3CCN(CC3)S(=O)(=O)CCO)ncc2C#N)CCCC1
COCCS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OCC2(C)CCCC2)n1
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CC3(CCC3)C2)n1
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OCC2(C)CCC2)n1
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OCC2(C)CC(F)(F)C2)n1
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OCC2(C)CCCC2)n1
Cn1ccc(n1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OCC2(C)CCCC2)n1
CO[C@H]1CC(C)(COc2nc(NC3CCN(CC3)S(=O)(=O)c3cnn(C)c3)ncc2C#N)C1 |r,wU:2.1,(1.96,5.71,;3.3,4.94,;3.3,3.4,;4.38,2.31,;3.3,1.22,;1.96,.45,;3.3,-.32,;4.63,-1.09,;4.63,-2.63,;3.3,-3.4,;3.3,-4.94,;1.96,-5.71,;.63,-4.94,;.63,-3.4,;-.7,-2.63,;-2.04,-3.4,;-2.04,-4.94,;-.7,-5.71,;-3.37,-2.63,;-2.6,-1.3,;-4.14,-3.96,;-4.71,-1.86,;-4.87,-.33,;-6.37,-.01,;-7.14,-1.34,;-8.63,-1.74,;-6.11,-2.49,;4.63,-5.71,;5.96,-4.94,;6.01,-3.37,;7.34,-2.6,;8.68,-1.83,;2.21,2.31,)|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCCCC2)cc1
O=S(=O)(NC1COC1)c1ccc(Nc2ncc(C#N)c(n2)N2CCCCC2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCCC2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCCCCC2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCC[C@H](O)C2)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCC[C@@H](O)C2)cc1 |r|
C[C@H]1CCCN(C1)c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
C[C@@H]1CCCN(C1)c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
C[C@@H]1CCCCN1c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
C[C@H]1CCCCN1c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
C[C@@H]1C[C@H](O)CCN1c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
C[C@@H]1C[C@@H](O)CCN1c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
C[C@@H]1CC[C@H](O)CN1c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCC[C@H](CO)C2)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCC[C@@H](CO)C2)cc1 |r|
CO[C@H]1CCCN(C1)c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCC[C@H](F)C2)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCC(O)CC2)cc1
CC1(C)CCCN(C1)c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCCC(C2)c2ccccc2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(F)c(n2)N2CCCCC2)cc1
C[C@@H]1CCCCN1c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1F |r|
C[C@H]1CCCCN1c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1F |r|
CS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)N1CCCCC1
CS(=N)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCCCC2)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCCCC2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)-c2ccc(O)cc2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
Cc1cccc(c1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)-c2cccc(F)c2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)-c2cccc(c2)C2CC2)cc1
CNc1cccc(c1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)-c2cccc(O)c2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(c(O[C@H]3CCC[C@H]3O)n2)C(F)(F)F)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(c(O[C@@H]3CCC[C@H]3O)n2)C(F)(F)F)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2ncc(c(O[C@H]3CCOC[C@H]3O)n2)C(F)(F)F)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(c(O[C@@H]3CCOC[C@H]3O)n2)C(F)(F)F)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(c(O[C@H]3CCOC[C@H]3O)n2)C(F)(F)F)c(F)c1 |r|
CNS(=O)(=O)c1ccc(Nc2ncc(c(O[C@H]3CCCOC[C@H]3O)n2)C(F)(F)F)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2ncc(c(O[C@@H]3CCCOC[C@H]3O)n2)C(F)(F)F)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2ncc(c(O[C@H]3CCCOC[C@@H]3O)n2)C(F)(F)F)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2ncc(c(O[C@@H]3CCCOC[C@@H]3O)n2)C(F)(F)F)cc1 |r|
C[C@@]1(O)COC[C@@H]1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C(F)(F)F |r|
C[C@@]1(O)COC[C@H]1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C(F)(F)F |r|
CNS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCC3O)n2)C(F)(F)F)cc1
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCC3O)n2)C(F)(F)F)cc1
OC1CCCC1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CC2)ncc1C(F)(F)F
CNS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCC3)n2)C(F)(F)F)cc1
NS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCCC3O)n2)C(F)(F)F)cc1
CC1CCCC(O)C1Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C(F)(F)F
NS(=O)(=O)c1ccc(Nc2ncc(c(O[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3O)n2)C(F)(F)F)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCOCC3O)n2)C(F)(F)F)cc1
NS(=O)(=O)c1ccc(Nc2ncc(c(OC3COCCC3O)n2)C(F)(F)F)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCOCC3O)n2)C(F)(F)F)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(c(OC3COCCC3O)n2)C(F)(F)F)cc1
NS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCCCC3O)n2)C(F)(F)F)cc1
CS(=O)(=O)C1CCC(CC1)Nc1ncc(c(OC2CCCC2O)n1)C(F)(F)F |(-6.75,-.37,;-5.26,-.77,;-6.35,-1.85,;-5.26,.77,;-3.92,-1.54,;-3.92,-3.08,;-2.59,-3.85,;-1.26,-3.08,;-1.26,-1.54,;-2.59,-.77,;.08,-3.85,;1.41,-3.08,;2.74,-3.85,;4.08,-3.08,;4.08,-1.54,;2.74,-.77,;2.74,.77,;1.41,1.54,;0,.92,;-1.03,2.06,;-.26,3.4,;1.25,3.08,;2.58,3.85,;1.41,-1.54,;5.41,-.77,;5.41,.77,;6.75,0,;6.75,-1.54,)|
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCCCC2O)n1)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCCCCC2O)n1)C(F)(F)F
NS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCCCCC2O)n1)C(F)(F)F
CNS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCCCCC2O)n1)C(F)(F)F
CC1(O)COCCC1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C(F)(F)F
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCOCC2(C)O)n1)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCC2)n1)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCCCC2)n1)C(F)(F)F
CC1(COc2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2C(F)(F)F)CCCC1
CNS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCCCCC2)n1)C(F)(F)F
O[C@@H]1CCC[C@@H]1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CCOCC2)ncc1Cl |r|
O[C@@H]1CCC[C@H]1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CCOCC2)ncc1Cl |r|
CC1(COC1)NS(=O)(=O)c1ccc(Nc2ncc(Br)c(O[C@H]3CCC[C@H]3O)n2)cc1 |r|
CC1(COC1)NS(=O)(=O)c1ccc(Nc2ncc(Br)c(O[C@@H]3CCC[C@H]3O)n2)cc1 |r|
Cc1cnc(Nc2ccc(cc2)S(N)(=O)=O)nc1O[C@H]1CCC[C@H]1O |r|
Cc1cnc(Nc2ccc(cc2)S(N)(=O)=O)nc1O[C@@H]1CCC[C@H]1O |r|
CCc1cnc(Nc2ccc(cc2)S(N)(=O)=O)nc1O[C@H]1CCC[C@H]1O |r|
CCc1cnc(Nc2ccc(cc2)S(N)(=O)=O)nc1O[C@@H]1CCC[C@H]1O |r|
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C3CC3)c(O[C@H]3CCC[C@H]3O)n2)cc1 |r|
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C3CC3)c(O[C@@H]3CCC[C@H]3O)n2)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)=C)c(O[C@H]3CCC[C@H]3O)n2)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)=C)c(O[C@@H]3CCC[C@H]3O)n2)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCC3O)n2)C(F)(F)F)cc1
NS(=O)(=O)c1ccc(Nc2ncc(Cl)c(OC3CCCC3O)n2)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(Cl)c(OC3CCCC3O)n2)cc1
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(Cl)c(OC3CCCC3O)n2)cc1
CN1CCC(CC1)NS(=O)(=O)c1ccc(Nc2ncc(Cl)c(OC3CCCC3O)n2)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(Cl)c(OC3COCC3(C)O)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(Br)c(OC3CCCC3O)n2)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(Br)c(OC3CCCC3O)n2)cc1
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(Br)c(OC2CCCCC2O)n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc(Br)c(OC2CCCCCC2O)n1
Cc1cnc(Nc2ccc(cc2)S(=O)(=O)NC2CC2)nc1OC1CCCC1O
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C)c(OC3CCCC3O)n2)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(C)c(OC3CCCC3O)n2)cc1
CCc1cnc(Nc2ccc(cc2)S(=O)(=O)NC)nc1OC1CCCC1O
CCc1cnc(Nc2ccc(cc2)S(=O)(=O)NC)nc1OC1COCC1(C)O
CCc1cnc(Nc2ccc(cc2)S(=O)(=O)NC)nc1OC1CCOCC1O
CCc1cnc(Nc2ccc(cc2)S(=O)(=O)NC)nc1OC1CCOCC1(C)O
CCc1cnc(Nc2ccc(cc2)S(=O)(=O)NC)nc1OC1COCCC1(C)O
CC1(O)CCCC1Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C1CC1
NS(=O)(=O)c1ccc(Nc2ncc(C=C)c(OC3CCCC3O)n2)cc1
Cn1cc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cn1
Cc1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3C(F)F)ncc2C12CC2
COC(=O)c1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1
Cc1cc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)[nH]n1
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3CO)ncc2C12CC2
Cc1n[nH]cc1Nc1ncc2c(n1)N([C@H]1C[C@H](O)CC(C)(C)C1)C(=O)C21CC1
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3C3CCOC3)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3cnn4c3CNCC4)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3C3CCCCO3)ncc2C12CC2
COCc1ncc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)[nH]1
COc1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3Cl)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3C3CC3)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3C(F)(F)F)ncc2C12CC2
COCCn1cc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cn1
Cc1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCCC[C@@H](O)C1)C(=O)C21CC1
COc1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCCC[C@@H](O)C1)C(=O)C21CC1
O=C1N([C@@H]2CCCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3Cl)ncc2C12CC2
N#Cc1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1
COCc1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1
COCCOc1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1
CCOc1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3O[C@@H]3COC[C@H]3F)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3O[C@H]3COC[C@@H]3F)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3O[C@@H]3COC[C@@H]3F)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3O[C@H]3COC[C@H]3F)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3-c3cnn4ccccc34)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OC3CC(F)(F)C3)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OC3CCC(F)(F)C3)ncc2C12CC2
Cn1ncc(-c2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)c1C(F)F
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3C3CC3(F)F)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3C3CC3(F)F)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3-c3cnn(C(F)F)c3)ncc2C12CC2
Cn1cc(Oc2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cn1
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3C#Cc3cccnc3)ncc2C12CC2
Cc1c(-c2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cnn1C
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OCC3CC3)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OCCF)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OC3CCC3)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OCC(F)F)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OCCO)ncc2C12CC2
Cn1ccc(COc2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)n1
COCC(F)(F)COc1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OCC3(F)CC3)ncc2C12CC2
O=C5N([C@@H]1CCC[C@@H](O)C1)c4nc(Nc2c[nH]nc2OC3CN(CC(F)(F)F)C3)ncc4C56CC6
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3-c3cnn4c3CCC4)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OCC3(F)COC3)ncc2C12CC2
[2H]C([2H])([2H])Oc1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1
CN1C[C@@H](F)[C@H](Oc2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)C1
CN1C[C@H](Oc2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)[C@@H](F)C1
CSc1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1
CC(=O)N1CC2(CC(COc3n[nH]cc3Nc3ncc4c(n3)N([C@@H]3CCC[C@@H](O)C3)C(=O)C43CC3)C2)C1
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OCC3CC4(COC4)C3)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OC3CC3)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OCC(F)(F)F)ncc2C12CC2
Cn1ncc(-c2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)c1Cl
CC#Cc1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3-c3ccncc3)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3-c3ccccn3)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3-c3cccnc3)ncc2C12CC2
Cc1c(-c2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cnn1C(F)F
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3O[C@@H]3CCOC3)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3-c3cnn4ccncc34)ncc2C12CC2
C[C@]1(O)C[C@H](COc2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)C1
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OC[C@H]3COCCO3)ncc2C12CC2
N#CC1(COc2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)CC1
CSCc1n[nH]cc1Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3O[C@H]3CC3(F)F)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3O[C@@H]3CC3(F)F)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OC[C@@H]3CCOC3)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OC[C@H]3CCOC3)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3-c3cnn4c3CCCC4)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OC3CCOCC3)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OC[C@H]3COC[C@H]3F)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OC[C@H]3COCC3(F)F)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3O)ncc2C12CC2
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3O[C@H]3CCOC3)ncc2C12CC2
Cn1ccc(-c2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)n1
Cn1cc(-c2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cn1
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3-c3cnn4cccnc34)ncc2C12CC2
CO[C@H]1C[C@H](Oc2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)C1
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3-c3nnco3)ncc2C12CC2
Cn1ncc(-c2n[nH]cc2Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)c1C(F)(F)F
O=C1N([C@@H]2CCC[C@@H](O)C2)c2nc(Nc3c[nH]nc3OC3(CF)CC3)ncc2C12CC2
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cnc(C#N)cn4)n[nH]3)C2)CC1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cc(C#N)ccn4)n[nH]3)C2)CC1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4ccnc(C#N)n4)n[nH]3)C2)CC1
Cc1nc(C#N)cnc1Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(C)CC3)C2)[nH]n1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cc(C#N)cnn4)n[nH]3)C2)CC1
Cc1nccnc1Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(C)CC3)C2)[nH]n1
Cc1cncc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cnc(OC(F)F)cn4)n[nH]3)C2)CC1
Cc1nc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)cnc1C#N
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4ccnc(C(F)(F)F)n4)n[nH]3)C2)CC1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cncc(C#N)n4)n[nH]3)C2)CC1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4ccc(C#N)cn4)n[nH]3)C2)CC1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4ccccn4)n[nH]3)C2)CC1
Cc1c(C#N)ccnc1Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(C)CC3)C2)[nH]n1
Cc1cc(C#N)cc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cc(C#N)ncn4)n[nH]3)C2)CC1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cnc(C(C)(C)O)cn4)n[nH]3)C2)CC1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4ccc(C#N)nn4)n[nH]3)C2)CC1
Cc1cnc(C#N)nc1Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(C)CC3)C2)[nH]n1
Cc1cc(C#N)cnc1Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(C)CC3)C2)[nH]n1
C[C@H](O)c1cnc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)cn1
C[C@@H](O)c1cnc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)cn1
CNc1nncc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
COc1cncc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
COc1nccc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cnccn4)n[nH]3)C2)CC1
Cc1cnc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)cn1
COc1cnc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)cn1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cncc(C5CC5)n4)n[nH]3)C2)CC1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cnc(C(F)(F)F)cn4)n[nH]3)C2)CC1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cnc(F)cn4)n[nH]3)C2)CC1
CN(C)c1cnc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)cn1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4ccnc(C(F)F)n4)n[nH]3)C2)CC1
Cc1nccc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cnc(S(C)(=O)=O)cn4)n[nH]3)C2)CC1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cnc(C(F)F)cn4)n[nH]3)C2)CC1
COCc1cnc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)cn1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cccnn4)n[nH]3)C2)CC1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4ccncn4)n[nH]3)C2)CC1
Cc1cncnc1Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(C)CC3)C2)[nH]n1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cnc(Cl)cn4)n[nH]3)C2)CC1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nccnn4)n[nH]3)C2)CC1
CNc1nc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)cnc1C#N
CN(C)c1nncc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
COc1cnc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)c(C)n1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4ccnc(CO)n4)n[nH]3)C2)CC1
Cc1nc(CO)cnc1Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(C)CC3)C2)[nH]n1
CNc1nccc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
CC1(C)CCN1C(=O)O[C@@H]1CC[C@H](c2cc(Nc3cnc(CO)cn3)n[nH]2)C1
CC(C)(O)c1cnc(Nc2cc([C@H]3CC[C@@H](OC(=O)N4CCC4(C)C)C3)[nH]n2)cn1
C[C@@H](O)c1cnc(Nc2cc([C@H]3CC[C@@H](OC(=O)N4CCC4(C)C)C3)[nH]n2)cn1
C[C@H](O)c1cnc(Nc2cc([C@H]3CC[C@@H](OC(=O)N4CCC4(C)C)C3)[nH]n2)cn1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3cnc(C#N)cn3)n[nH]2)C1
COc1nncc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4cnc(CO)cn4)n[nH]3)C2)CC1
CNC(=O)O[C@@H]1CC[C@H](c2cc(Nc3cncc(OCC4CC4)n3)n[nH]2)C1
CC1(NC(=O)O[C@H]2CC[C@@H](c3cc(Nc4cnccn4)n[nH]3)C2)CC1
COc1nccc(Nc2cc([C@@H]3CC[C@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
CC(C)n1c(C(C)(C)O)nc2c(F)cc(-c3nc(NC4C[C@H]5CO[C@H](O5)[C@H]4O)ncc3Cl)cc21
CC(C)n1c(C(C)(C)O)nc2c(F)cc(-c3nc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)cc21
CCn1cnc2c(N[C@H]3CCN(S(=O)(=O)NC)C3)nc(-c3cccc4c3CNC4=O)nc21
CCn1cnc2c(N[C@H]3CCN(S(=O)(=O)NC)C3)nc(-c3cccc4c3CC[C@H]4O)nc21
CCn1cnc2c(N[C@H]3CCN(S(=O)(=O)NC)C3)nc(-c3cccc4c3CC[C@]4(C)O)nc21
CC[C@H](Nc1nc(N[C@H]2CCN(S(=O)(=O)NCC(F)(F)F)C2)c2ncn(CC)c2n1)[C@@H](C)O
CC[C@H](Nc3nc(N[C@H]1CCN(S(=O)(=O)NCC(F)F)C1)c2ncn(CC)c2n3)[C@@H](C)O
CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)CC)N[C@H]3CCN(C3)S(=O)(=O)NCC
CCNS(=O)(=O)N3CC[C@H](Nc1nc(N[C@@H](CC)C(C)=O)nc2c1ncn2CC)C3
CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)CC)N[C@H]3CCN(C3)S(=O)(=O)NCC
CC[C@H](Nc3nc(N[C@H]1CCN(S(N)(=O)=O)C1)c2ncn(CC)c2n3)[C@@H](C)O
CC[C@H](Nc1nc(N[C@H]2CCN(S(N)(=O)=O)C2)c2ncn(CC)c2n1)C(C)=O
CCNS(=O)(=O)N3CC[C@H](Nc1nc(N[C@H](CC)[C@H](C)O)nc2c1ncn2CC)C3
CCNS(=O)(=O)N3CC[C@H](Nc1nc(N[C@H](CC)C(C)=O)nc2c1ncn2CC)C3
CCNS(=O)(=O)N1CC[C@H](Nc2nc(N[C@H](CC)[C@@H](C)O)nc3c2ncn3CC)C1
CCNS(=O)(=O)N4CC[C@H](Nc2nc(N[C@@H](CO)C1CC1)nc3c2ncn3C(F)F)C4
CC(C)n1cnc2c(N[C@H]3CCN(S(C)(=O)=O)C3)nc(NC(CO)C3CCCC3)nc21
CC(C)n1cnc2c(N[C@H]3CCN(S(C)(=O)=O)C3)nc(NC(CO)C3CCCO3)nc21
CCn1cnc2c(N[C@@H]3CN(S(=O)(=O)c4ncc[nH]4)C[C@H]3F)nc(N[C@@H](CO)C3CC3)nc21
CC[C@H](Nc1nc(N[C@H]2CCN(S(=O)(=O)N[C@@H]3CCOC3)C2)c2ncn(CC)c2n1)[C@@H](C)O
CCNS(=O)(=O)N4CC[C@H](Nc2nc(N[C@@H](CO)C1CC1)nc3c2ncn3C)C4
CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)N[C@H]3CCN(C3)S(=O)(=O)C
CCn1cnc2c(N[C@H]3CCN(S(=O)(=O)NC)C3)nc(N[C@@H](CC(F)(F)F)[C@@H](C)O)nc21
CC[C@H](Nc1nc(N[C@H]2CCN(S(=O)(=O)N[C@H]3CCOC3)C2)c2ncn(CC)c2n1)[C@@H](C)O
CC[C@H](Nc1nc(N[C@H]2CCN(S(=O)(=O)NC[C@H]3COCCO3)C2)c2ncn(CC)c2n1)[C@@H](C)O
CC[C@H](Nc1nc(N[C@H]2CCN(S(=O)(=O)N3CC(F)C3)C2)c2ncn(CC)c2n1)[C@@H](C)O
CC[C@H](Nc1nc(N[C@H]2CCN(S(=O)(=O)NC[C@@H]3COCCO3)C2)c2ncn(CC)c2n1)[C@@H](C)O
CCNS(=O)(=O)N1C[C@@H](F)[C@H](Nc2nc(N[C@@H](CO)C3CC3)nc3c2ncn3C)C1
CC(C)[C@H](CO)Nc1nc(N[C@H]2CCN(S(=O)(=O)C3CC3)C2)c2ncn(C(C)C)c2n1
CCn1cnc2c(N[C@H]3CCN(S(C)(=O)=O)C3)nc(N[C@@H](CO)C(C)C)nc21
CC(C)[C@H](CO)Nc1nc(N[C@H]2CCN(S(C)(=O)=O)C2)c2ncn(C3CC3)c2n1
CC(C)n1cnc2c(N[C@H]3CCN(S(C)(=O)=O)C3)nc(N[C@@H](CO)C3CC3)nc21
CC[C@H](Nc1nc(N[C@H]2CCN(S(=O)(=O)c3cnn(C)c3)C2)c2ncn(C(C)C)c2n1)[C@@H](C)O
CC[C@H](Nc1nc(N[C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)c2ncn(C(C)C)c2n1)[C@@H](C)O
CC(C)[C@H](CO)Nc1nc(N[C@@H]2CN(S(C)(=O)=O)C[C@H]2F)c2ncn(C(C)C)c2n1
CC(C)[C@H](CO)Nc1nc(N[C@H]2C[C@@H](C)N(S(C)(=O)=O)C2)c2ncn(C(C)C)c2n1
CC(C)[C@H](CO)Nc1nc(N[C@H]2C[C@H](C)N(S(C)(=O)=O)C2)c2ncn(C(C)C)c2n1
CC(C)[C@H](CO)Nc1nc(N[C@@H]2CN(S(C)(=O)=O)C[C@H]2C)c2ncn(C(C)C)c2n1
CC[C@H](Nc1nc(N[C@H]2C[C@@H](C)N(S(C)(=O)=O)C2)c2ncn(C(C)C)c2n1)[C@@H](C)O
CC[C@H](CO)Nc1nc(N[C@H]2CCN(S(C)(=O)=O)C2)c2ncn(CC)c2n1
CCn1cnc2c(N[C@H]3CCN(S(C)(=O)=O)C3)nc(N[C@@H](CO)C3CC3)nc21
CCn1cnc2c(N[C@H]3CCN(S(=O)(=O)CC(F)(F)F)C3)nc(N[C@@H](CO)C(C)C)nc21
CCn1cnc2c(N[C@H]3CCN(S(=O)(=O)C4CC4)C3)nc(N[C@@H](CO)C(C)C)nc21
CCn1cnc2c(N[C@H]3CCN(S(=O)(=O)CCOC)C3)nc(N[C@@H](CO)C(C)C)nc21
CCn1cnc2c(N[C@H]3CCN(S(=O)(=O)CF)C3)nc(N[C@@H](CO)C(C)C)nc21
CC[C@H](Nc1nc(N[C@H]2CCN(S(=O)(=O)NC)C2)c2ncn(CC)c2n1)[C@@H](C)O
CC[C@H](Nc3nc(N[C@H]1CCN(S(=O)(=O)NC)C1)c2ncn(CC)c2n3)C(C)=O
CC[C@H](Nc1nc(N[C@H]2CCN(S(=O)(=O)NC)C2)c2ncn(CC)c2n1)C(C)(C)O
CC[C@H](CO)Nc1nc(N[C@H]2CCN(S(=O)(=O)NC)C2)c2ncn(CC)c2n1
CC[C@@H](CO)Nc1nc(N[C@H]2CCN(S(=O)(=O)NC)C2)c2ncn(CC)c2n1
CCn1cnc2c(N[C@H]3CCN(S(=O)(=O)NC)C3)nc(N[C@@H](C)[C@@H](O)C(F)(F)F)nc21
CCn3cnc2c(N[C@H]1CCN(S(=O)(=O)NC)C1)nc(N[C@@H](C)[C@H](O)C(F)(F)F)nc23
CCn1cnc2c(N[C@H]3CCN(S(=O)(=O)NC)C3)nc(N[C@@H]3c4ccccc4C[C@@H]3O)nc21
CC[C@H](Nc1nc(N[C@@H]2CN(S(=O)(=O)NC)C[C@H]2F)c2ncn(CC)c2n1)[C@@H](C)O
CCNS(=O)(=O)N1CC[C@H](Nc2nc(N[C@@H](CC)[C@@H](C)O)nc3c2ncn3C)C1
CC[C@H](Nc1nc(N[C@H]2CCN(S(=O)(=O)NC)C2)c2ncn(CF)c2n1)[C@@H](C)O
CC[C@H](Nc1nc(N[C@H]2CCN(S(=O)(=O)NC)C2)c2ncn(C(F)F)c2n1)[C@@H](C)O
CC[C@H](Nc1nc(N[C@@H]2CN(S(=O)(=O)c3ncc[nH]3)C[C@H]2F)c2ncn(C)c2n1)[C@@H](C)O
C[C@H](Nc1nc(N[C@@H]2CN(S(=O)(=O)c3ncc[nH]3)C[C@H]2F)c2ncn(C(F)F)c2n1)[C@@H](O)C(F)(F)F
CCNS(=O)(=O)N1CC[C@H](Nc2nc(N[C@@H](CO)CC3CC3)nc3c2ncn3CC)C1
CCNS(=O)(=O)N3CC[C@H](Nc1nc(N[C@@H](C)C(C)(C)O)nc2c1ncn2CC)C3
CCNS(=O)(=O)N3CC[C@H](Nc1cc(N[C@@H](CC)[C@@H](C)O)nc2c1ncn2CC)C3
O=S(=O)(c1ncc[nH]1)N1C[C@@H](F)[C@H](Nc2nc(N[C@@H](CO)C3CC3)nc3c2ncn3C(F)F)C1
CC[C@H](Nc1nc(N[C@H]2CCN(S(=O)(=O)c3ccn[nH]3)C2)c2ncn(CC)c2n1)[C@@H](C)O
CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CN1CCN(CCON=C2C(Nc3ccccc23)=C2C(=O)Nc3cc(Br)ccc23)CC1
c1ccc2c(c1)/C(=C/3\C(=O)c4ccccc4N3)/C(=O)N2
OC[C@H]1O[C@@H](OCCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O |r|
COc1ccc2NC(=O)\C(=C3\Nc4ccccc4\C\3=N/OCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |r|
Cc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |r|
COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
OCC(O)CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r,wU:12.15,10.10,(36.41,-23.55,;35.32,-24.63,;33.83,-24.23,;32.74,-25.33,;33.14,-26.81,;34.63,-27.21,;35.72,-26.12,;35.02,-28.69,;36.54,-29.01,;33.99,-29.84,;32.49,-29.52,;31.2,-30.36,;30.36,-29.07,;31.65,-28.23,;28.86,-28.74,;28.23,-27.34,;26.7,-27.5,;26.37,-29.01,;25.04,-29.78,;23.71,-29.01,;22.38,-29.78,;21.04,-29.01,;21.04,-27.47,;19.7,-26.7,;18.37,-27.47,;18.37,-29.01,;17.04,-29.78,;19.7,-29.78,;25.04,-31.32,;26.37,-32.09,;27.71,-31.32,;27.71,-29.78,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r,wU:12.15,10.10,(26.01,-22.02,;24.92,-23.11,;23.43,-22.71,;22.35,-23.8,;22.75,-25.29,;24.23,-25.68,;25.32,-24.6,;24.63,-27.17,;26.14,-27.49,;23.6,-28.32,;22.09,-28,;20.8,-28.83,;19.97,-27.54,;21.26,-26.71,;18.46,-27.22,;17.83,-25.81,;16.3,-25.98,;15.98,-27.48,;14.65,-28.26,;13.31,-27.48,;11.98,-28.26,;10.65,-27.48,;10.65,-25.94,;9.31,-25.18,;7.98,-25.94,;7.98,-27.48,;6.64,-28.26,;9.31,-28.26,;14.65,-29.8,;15.98,-30.56,;17.31,-29.8,;17.31,-28.26,)|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCCCC3N)nc12
CC(C)c1[nH]nc2c(NCc3ccccc3O)ncnc12
CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCC(N)CC3)nc12 |(32.15,-14.56,;33.17,-13.41,;34.68,-13.72,;32.68,-11.95,;33.59,-10.69,;32.67,-9.44,;31.2,-9.93,;29.86,-9.16,;29.86,-7.62,;31.19,-6.85,;31.18,-5.31,;32.52,-4.54,;32.52,-3,;31.18,-2.24,;29.84,-3.02,;29.85,-4.55,;28.53,-9.93,;28.53,-11.48,;27.2,-12.25,;25.86,-11.47,;25.86,-9.93,;24.54,-9.16,;23.2,-9.93,;21.87,-9.15,;23.2,-11.47,;24.53,-12.25,;29.87,-12.25,;31.21,-11.48,)|
Cn1cc(-c2nc(cs2)-c2cn(C)c3ncccc23)c2cc(F)ccc12
COCCn1cc(-c2nc(cs2)-c2c[nH]c3ncccc23)c2cc(OC)ccc12
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(CC(C)(C)O)CC2)ncc1F
CCN1CCc2nc(Nc3cc(c(F)cn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CCN1CCc2nc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)O)ncc1F
CC(C)N1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CCN1CCc2nc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC(C)C)c4c3)ccc2C1
CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCOC5)c4c3)ccc2C1
COCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(O)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN(C)C)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CCN(C)CC2)ncc1F
CCN1CCC(CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(C(C)C)c5c4)ccc3C2)CC1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(C)CC2)ncc1F
COCCN1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(CC3CC3)CC2)ncc1F
CCC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCN(C)CC2)ncc1F
CCN1CCc2cc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N2CCCC2)ncc1F
CCN1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(30.42,-38.05,;31.76,-37.28,;33.09,-38.05,;34.43,-37.28,;35.76,-38.05,;37.09,-37.28,;38.42,-38.05,;39.76,-37.28,;39.76,-35.74,;38.42,-34.97,;37.09,-35.74,;41.09,-34.97,;42.43,-35.74,;43.76,-34.97,;45.09,-35.74,;46.42,-34.97,;46.59,-33.43,;48.1,-33.12,;48.87,-34.45,;50.4,-34.45,;51.18,-35.78,;52.72,-35.77,;53.48,-37.11,;55.02,-37.11,;55.79,-35.77,;55.02,-34.44,;53.47,-34.43,;51.94,-37.1,;51.16,-38.43,;47.83,-35.59,;45.09,-37.28,;46.42,-38.05,;43.76,-38.05,;42.43,-37.28,)|
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Brc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1
CCOC(=O)c1[nH]nc(c1N)-c1ccc(Cl)cc1
CCOC(=O)C(=O)C(=N/Nc1ccccc1)\C(=O)c1ccccc1
CCOc1ccc(cc1-c1nc2ncccc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC1)c1ccccc1
Brc1ccc(cc1)-c1n[nH]c2c1nc[nH]c2=O
CCOc1ccc(cc1-c1nc2ncccc2c(=O)[nH]1)S(=O)(=O)N1CCOCC1
O=c1[nH]cnc2c(n[nH]c12)-c1ccccc1
CCOC(=O)c1[nH]nc(c1\N=N\c1ccccc1)-c1ccc(Cl)cc1
CCOC(=O)c1[nH]nc(c1\N=N\c1ccccc1)-c1ccc(F)cc1
CCOC(=O)C(=O)C(=N/Nc1ccccc1)\C(=O)c1ccc(Cl)cc1
CCOC(=O)c1[nH]nc(c1N)-c1ccc(Br)cc1
O=C1NN=C(\C(=N\Nc2ccccc2)C1=O)c1ccccc1 |c:3|
CC(C)c1[nH]nc2c(Nc3cccc(Cl)c3)ncnc12
Brc1ccc(cc1)C1=NNC(=O)C(=O)\C1=N/Nc1ccccc1 |t:8|
CCN(CC)Cc1cccc2c1oc(cc2=O)-c1ccc(cc1)[N+]([O-])=O
CCN(CC)Cc1cc(Cl)cc2c1oc(cc2=O)-c1ccccc1Cl
[O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2cc(Cl)cc(Cn3ccnc3)c2o1
CN1CCN(Cc2cccc3c2oc(cc3=O)-c2ccc(cc2)[N+]([O-])=O)CC1
Clc1ccc(cc1)-c1cc(=O)c2cc(Cl)cc(CN3CCOCC3)c2o1
CN1CCN(Cc2cc(Cl)cc3c2oc(cc3=O)-c2ccc(cc2)[N+]([O-])=O)CC1
[O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2cc(Cl)cc(CN3CCNCC3)c2o1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Nc1nc(OCC2CCCCC2)c2nc([nH]c2n1)-c1ccccc1Cl
Nc1nc(OCC2CCCCC2)c2nc([nH]c2n1)-c1cccc(c1)S(N)(=O)=O
Cc1c(O)cccc1-c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1
C1CCC(CC1)COc2c3c([nH]c(n3)C(F)(F)F)nc(n2)N
Cc1ccccc1-c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1
CCc1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1
C(Oc1nc(Nc2ccccc2)nc2nc[nH]c12)C1CCCCC1
CC(C)c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1
Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1
Cc1c(cccc1-c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1)C(O)=O
Cc1c(cccc1S(N)(=O)=O)-c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)C(C)(C)C
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccccc1
O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12
Nc1n[nH]c(N)c1\N=N\c1ccncc1
Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1
Cn1nc(N)c(\N=N\c2ccncc2)c1N
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCCNCC2)ncc1F
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1
FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C=O)n1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C(F)(F)F)nc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C(F)(F)F)nc1
FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCCNCC2)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CN(c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1)c1ccccc1
Cc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Cc1nc(sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1)N(C1CCCC1)C1CCCC1
CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)n1
CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)S(C)(=O)=O)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCC(N)CC2)n1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCCNCC2)n1
O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4
Clc1[nH]c2ccccc2c1\C=C1\C(=O)Nc2ccccc12
CC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO
c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N
CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5
Cc1nc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O |t:9|
CCNc1cc(N[C@H]2CC[C@H](O)CC2)nc(Nc2ccc3n(Cc4ccccc4)ccc3c2)n1 |r,wU:10.10,wD:7.6,(-2.06,7.78,;-2.83,6.45,;-4.37,6.45,;-5.14,5.11,;-4.37,3.78,;-5.14,2.45,;-4.37,1.11,;-5.14,-.22,;-6.68,-.22,;-7.45,-1.55,;-6.68,-2.89,;-7.45,-4.22,;-5.14,-2.89,;-4.37,-1.55,;-6.68,2.45,;-7.45,3.78,;-8.99,3.78,;-9.46,2.32,;-10.97,2,;-11.44,.53,;-10.41,-.61,;-10.57,-2.14,;-11.91,-2.91,;-13.24,-2.14,;-13.24,-.6,;-14.57,.17,;-15.91,-.6,;-15.91,-2.14,;-14.57,-2.91,;-9.17,-2.77,;-8.14,-1.63,;-8.91,-.29,;-8.43,1.17,;-6.68,5.11,)|
CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9|
CCCCOc1c(c[nH]c2nncc12)C(=O)c1c(F)cc(C)cc1F
OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
c1cc(ccc1Nc2cc(ncn2)N)S(=O)(=O)N
CC(C)c1cnc(NC(=O)Cc2ccccc2)s1
Nc1n[nH]c2nc3ccccc3nc12
CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N
COc1ccc(OC)c2c1[nH]c1ccccc1c2=S
CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
CCOC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(C(=O)C(=C4)C#N)C5CCCC5
CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3
c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl
c1ccc(c(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)[N+](=O)[O-]
CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(F)cc(F)cc5[nH]4)c3c2)c1C
O=C(Nc1csc(n1)-c1ccncc1)Nc1cccc(OC[C@H]2CCCN2)n1 |r|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCN)nc12
CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
COc1ccc(cc1OC)C1OC(=O)C(O)=C1I |c:16|
Cc1ccccc1Nc1ncc2CCCCc2n1
NS(=O)(=O)c1cccc(Nc2ncc3CCCCc3n2)c1
COc1cccc(Nc2ncc3CCCCc3n2)c1
CCc1cccc(Nc2ncc3CCCCc3n2)c1
Cc1ccc(Nc2ncc3CCCCc3n2)cc1
[O-][N+](=O)c1cccc(Nc2ncc3CCCCc3n2)c1
Cc1cccc(Nc2ncc3CCCCc3n2)c1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(C)cc3)cc2)ncc1F
COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O
Clc1cccc(NC(=O)COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c1
COc1ccccc1NC(=O)COc1ccc(cc1OC)-c1nc2ccccc2c(=O)[nH]1
COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1
COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F
CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(F)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|
CS(=O)(=O)c1cccc(c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F
CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@@H](C)O)n2)cc1 |r|
C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)C(F)(F)F)O
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
COc1ccc(c(OC)c1)-n1c2nc(C)nc(Cl)c2sc1=S |(11.56,-15.68,;12.66,-14.6,;12.27,-13.11,;10.78,-12.7,;10.39,-11.21,;11.49,-10.14,;12.97,-10.54,;14.06,-9.45,;15.55,-9.85,;13.36,-12.02,;11.1,-8.65,;9.63,-8.17,;8.29,-8.94,;6.96,-8.17,;5.62,-8.94,;6.96,-6.63,;8.29,-5.85,;8.28,-4.31,;9.62,-6.62,;11.1,-6.14,;12.01,-7.39,;13.56,-7.39,)|
c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@H]3C[C@@H]4CC[C@H]3C4)N)[N+](=O)[O-]
Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
NS(=O)(=O)c1ccc(Nc2nc(-c3cccc(c3)-c3ccccc3)c3nc[nH]c3n2)cc1
c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)F
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(-c3ccncc3)c2F)cc1
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(-c3ccc(F)nc3)c2F)cc1
Cc1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
COc1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
Nc1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
NC(=O)c1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(-c3ccccc3)c2F)cc1
Oc1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
OCc1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
COC(=O)c1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
NC(=O)c1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
CN1CCC(CNC(=O)c2cccc(c2)-c2ccc(F)c(C(=O)Nc3c[nH]nc3C(=O)Nc3ccc(F)cc3)c2F)CC1
CN1CCN(CCNC(=O)c2cccc(c2)-c2ccc(F)c(C(=O)Nc3c[nH]nc3C(=O)Nc3ccc(F)cc3)c2F)CC1
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(c2F)-c2cccc(c2)C(=O)NCCCN2CCOCC2)cc1
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(c2F)-c2cc(ccc2F)C(=O)NCCCN2CCOCC2)cc1
Cc1ccc(cc1-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F)C(=O)NCCCN1CCOCC1
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)[S@@](=N)(=O)C2CC2)ncc1C(F)(F)F |r|
c1cn2c(n1)C(=CNC2=O)C3CCCCC3
CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(cc3)N3CCNCC3)nc21
CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n2cc(nc12)C(C)(C)C
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)ncc1F
COc1ccc(cc1)C(=O)C=CNc1cc(nn1-c1ccccc1)-c1ccccc1
Fc1ccc(cc1)-c1ccnc2n(nc(-c3ccccc3)c12)-c1ccccc1
COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCOCC2)c1C#N)-c1ccccc1
COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCN(C)CC2)c1C#N)-c1ccccc1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c[nH]c3ncccc23)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(C)c3ncccc23)cc1
CN1CCN(CC1)c1cccc(Nc2nccc(n2)-c2c[nH]c3ncccc23)c1
CN1CCN(CC1)c1cccc(Nc2nccc(n2)-c2cn(C)c3ncccc23)c1
CC(=O)N1CCCN(CC1)c1cccc(Nc2nccc(n2)-c2c[nH]c3ncccc23)c1
CC(=O)N1CCCN(CC1)c1cccc(Nc2nccc(n2)-c2cnc3n(C)cccc23)c1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c[nH]c3cccnc23)cc1
CN1CCN(CC1)c1cccc(Nc2nccc(n2)-c2c[nH]c3cccnc23)c1
CC(=O)N1CCCN(CC1)c1cccc(Nc2nccc(n2)-c2c[nH]c3cccnc23)c1
CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(C)c3ccccc23)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(c3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C#N)c(n2)-c2c[nH]c3ccccc23)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C#N)c(n2)-c2cn(C)c3ccccc23)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C#N)c(n2)-c2c(C)[nH]c3ccccc23)cc1 |(87.73,-8.05,;86.39,-7.28,;86.39,-5.74,;85.06,-8.05,;83.72,-7.29,;82.39,-8.06,;82.39,-9.6,;83.73,-10.37,;85.07,-9.6,;81.06,-10.38,;81.06,-11.93,;79.73,-12.69,;78.4,-11.93,;77.06,-12.7,;75.72,-11.93,;74.39,-12.7,;73.05,-11.93,;73.05,-10.39,;71.72,-9.62,;70.39,-8.86,;74.39,-9.61,;75.72,-10.38,;74.37,-8.07,;75.61,-7.17,;77.07,-7.64,;75.13,-5.7,;73.6,-5.71,;72.57,-4.57,;71.06,-4.89,;70.6,-6.36,;71.63,-7.49,;73.12,-7.18,;78.38,-10.39,;79.71,-9.61,)|
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2n[nH]c3ccccc23)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2nn(C)c3ccccc23)cc1
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C#N)c(n2)-c2n[nH]c3ccccc23)cc1
CC(=O)N1CCCN(CC1)c1cccc(Nc2nccc(n2)-c2n[nH]c3ccccc23)c1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN3CCC2CC3)ncc1C |THB:16:18:22.23:26.25,(4.01,-25.19,;4.78,-26.52,;4,-27.85,;2.46,-28,;2.12,-29.52,;.78,-30.28,;3.46,-30.3,;4.62,-29.27,;3.45,-31.83,;4.77,-32.61,;4.75,-34.15,;6.08,-34.92,;7.42,-34.16,;8.75,-34.92,;10.08,-34.16,;10.08,-32.61,;8.75,-31.85,;7.42,-32.62,;8.74,-30.31,;9.82,-31.09,;9.43,-29.51,;7.91,-28.84,;7.84,-27.32,;7.18,-28.55,;7.26,-30.38,;6.2,-31.14,;6.52,-29.6,;3.43,-34.91,;2.1,-34.14,;2.11,-32.6,;.78,-31.83,)|
CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCl)nc2n(C2CCCC2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1
Fc1cc2[nH]ncc2c2c3CCCCc3c(nc12)-c1c[nH]nc1C(F)(F)F
Fc1cc2[nH]ncc2c2c3CCCCc3c(nc12)-c1cn[nH]c1
Fc1cc2[nH]ncc2c2c3C4CCC(C4)c3c(nc12)-c1c[nH]nc1C(F)(F)F
OCc1n[nH]c2ccc3nc(-c4c[nH]nc4C(F)(F)F)c4CCCCc4c3c12
Cc1n[nH]c2ccc3nc(-c4c[nH]nc4C(F)(F)F)c4CCCCc4c3c12
Cc1n[nH]c2cc(F)c3nc(-c4c[nH]nc4C(F)(F)F)c4CCCCc4c3c12
CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cn(C(C)C)c4ncccc34)nc2)CC1
CCN1C(=O)COc2c(CN3CCN(CC3)C(C)=O)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2cc3OCOc3cc12 |c:9|
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
[O-][N+](=O)c1ccc2[nH]c(=O)[c-](-c3[nH]c4ccc(Cl)cc4c3N=[OH+])c2c1 |(18.15,-5.7,;17.01,-6.74,;15.55,-6.27,;17.34,-8.24,;18.82,-8.71,;19.14,-10.22,;18,-11.25,;18,-12.79,;16.53,-13.26,;16.06,-14.73,;15.63,-12.02,;14.09,-12.02,;13.18,-13.27,;11.7,-12.79,;10.37,-13.56,;9.04,-12.79,;9.04,-11.25,;7.7,-10.48,;10.37,-10.48,;11.7,-11.24,;13.18,-10.76,;13.65,-9.3,;15.16,-8.98,;16.53,-10.77,;16.21,-9.27,)|
Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)|
COc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1O
OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)cc1O
COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
[#6]-[#8]-[#6](=O)[C@@]1([#6]-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)[#8]-[#6](=O)-[#6](=O)-[#6]1-c1ccc(-[#8])cc1 |r|
Cc1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Cc1[nH]ncc1-c1ccnc(NC2CCCCC2)n1
CC(C)c1[nH]ncc1-c1ccnc(NC2CCCCC2)n1
CC(C)c1[nH]ncc1-c1ccnc(NC2CCNCC2)n1
CC(C)c1[nH]ncc1-c1ccnc(NC2CCN(C)CC2)n1
CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1C
CC(C)c1n[nH]c(C)c1-c1ccnc(NC2CCN(C)CC2)n1
CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1Br
CC(C)c1[nH]nc(Br)c1-c1ccnc(NC2CCN(C)CC2)n1
CC(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CC(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
CC(C)c1[nH]ncc1-c1ccnc(Nc2ccccn2)n1
Cc1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
FC(F)(F)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
C1CC1c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CC(C)(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Fc1ccc(cc1)-c1n[nH]cc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CC(C)c1n[nH]c(C)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(nn2)N2CCNCC2)n1
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2cnc(cn2)N2CCNCC2)n1
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)C2CCNCC2)n1
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN(CCO)CC2)n1
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN[C@@H](C)C2)n1 |r|
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN[C@H](C)C2)n1 |r|
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNC(C)(C)C2)n1
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CC(C)NC(C)C2)n1
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(CN3CCN[C@@H](C)C3)cn2)n1 |r|
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(CN3CCN[C@H](C)C3)cn2)n1 |r|
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r|
CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(C)=O)[nH]1 |w:7.6|
O=C(Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)C#C
CCc1nc(C)c(C=C2C(=O)N(C)c3ccc(cc23)C(=O)CCl)[nH]1 |w:7.6|
CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#C)cc23)[nH]1 |w:7.6|
CCc1nc(C)c(C=C2C(=O)N(C)c3ccc(NC(=O)C#C)cc23)[nH]1 |w:7.6|
CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#CC)cc23)[nH]1 |w:7.6|
ClCC(=O)c1ccc2NC(=O)C(=Cc3ccc[nH]3)c2c1 |w:12.12|
CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(=O)CCl)[nH]1 |w:7.6|
CS(=O)(=O)N(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)nc1)S(C)(=O)=O
CS(=O)(=O)N(CCN)c1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4
CS(=O)(=O)N(CCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
CS(=O)(=O)N(CCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CS(=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CS(=O)(=O)N(CCCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CS(=O)(=O)Nc1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4
CS(=O)(=O)N(CCN1CCCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
CN(C)CCN(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1)S(C)(=O)=O
CS(=O)(=O)N(Cc1ccncc1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CS(=O)(=O)N(Cc1ccncc1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
CC(C)N(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1)S(C)(=O)=O
CS(=O)(=O)N(CCCN1CCCCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CS(=O)(=O)N(CCCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CC[C@H](CO)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)O |r|
CCC(O)[C@@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@H](CO)Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r|
CCC(O)[C@@H](CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CCC(O)[C@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3
CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r|
CCC(O)[C@H](CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)O |r|
CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
NC(=O)c1c(Br)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncnc(N)c12 |r|
Nc1ncnc2n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c(-c3cccs3)c(C#N)c12 |r|
Nc1ncnc2n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c(-c3ccco3)c(C#N)c12 |r|
Nc1ncnc2n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c(-c3ccc(Br)s3)c(C#N)c12 |r|
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
COc1ccc(cc1)N1Cc2cnc(Nc3ccccc3)nc2N([C@@H]2CC[C@@H](O)C2)C1=O |r|
COc1cccc(c1)C(=O)c1sc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)nc1N
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1
CCCCCOc1nc(N)nc2nc[nH]c12
CCCCCCCOc1nc(N)nc2nc[nH]c12
Nc1nc(OCC2=CCCCC2)c2[nH]cnc2n1 |t:6|
Nc1nc(OCCc2ccccc2)c2[nH]cnc2n1
Nc1nc(OCC2CCC=CC2)c2[nH]cnc2n1 |c:9|
Nc1nc(OCCCCC=C)c2[nH]cnc2n1
CCCCOc1nc(N)nc2nc[nH]c12
Nc1nc(OCC=C)c2[nH]cnc2n1
Nc1nc(OCC#C)c2[nH]cnc2n1
CC(=C)COc1nc(N)nc2nc[nH]c12
Nc1nc(OCC2CCCC2)c2[nH]cnc2n1
CCC(=C)COc1nc(N)nc2nc[nH]c12
CC(C)CCOc1nc(N)nc2nc[nH]c12
Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6|
CC(C)C(=C)COc1nc(N)nc2nc[nH]c12
CC(C)C1(COc2nc(N)nc3nc[nH]c23)OCCO1
Nc1nc(OCC(=C)c2ccccc2)c2[nH]cnc2n1
CCCOc1nc(N)nc2nc[nH]c12
CC(C)Oc1nc(N)nc2nc[nH]c12
Nc1nc(OCc2ccccc2)c2[nH]cnc2n1
CC(C)COc1nc(N)nc2nc[nH]c12
CC\C=C\CCOc1nc(N)nc2nc[nH]c12
Nc1nc(OCCC2CCCCC2)c2[nH]cnc2n1
CCC(C)Oc1nc(N)nc2nc[nH]c12
CCC(C)COc1nc(N)nc2nc[nH]c12
CCC(COc1nc(N)nc2nc[nH]c12)(OC)OC
CCOC(C)(COc1nc(N)nc2nc[nH]c12)OCC
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Cc1ccc(cc1)N(SC(Cl)(Cl)Cl)S(=O)(=O)c1cc(Cl)sc1Cl
Cc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
Clc1cc(c(Cl)s1)S(=O)(=O)N(C(=O)CBr)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
FC(F)(F)c1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5
Nc1ncnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c1-c1nc(CNC(=O)C=C)co1
CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1
NS(=O)(=O)c1ccc(Nc2nccc(n2)-n2ncc3ccccc23)cc1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-n2ncc3ccccc23)c1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2nn(Cc3cccnc3)c3ccccc23)c1
Cn1nc(-c2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c2ccccc12
Cn1nc(-c2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c2ccccc12
CCn1nc(-c2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c2ccccc12
CCn1nc(-c2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c2ccccc12
CCCn1nc(-c2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c2ccccc12
CCCn1nc(-c2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c2ccccc12
NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2nn(Cc3cccnc3)c3ccccc23)cc1
CCOC(=O)c1cc2ccc3c4ccccc4[nH]c3c2[nH]1
CCOC(=O)c1cc2ccc3c4cc(OC)ccc4[nH]c3c2[nH]1
CCOC(=O)c1cc2ccc3c4cccc(Cl)c4[nH]c3c2[nH]1
CCOC(=O)c1cc2ccc3c([nH]c4cccc(Cl)c34)c2[nH]1
CCOC(=O)c1cc2ccc3c4ccc(Cl)cc4[nH]c3c2[nH]1
CCOC(=O)c1cc2ccc3c4cc(C)ccc4[nH]c3c2[nH]1
CCOC(=O)c1cc2ccc3c4cc(Cl)ccc4[nH]c3c2[nH]1
NC(=O)c1c(Br)n(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncncc12 |r|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cccnc1
CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12
CN(C)C1CCN(CC1)c2ccc3c(n2)nc([nH]3)C(=O)c4ccnc(c4)c5cncc6c5cccc6
CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1cncc2ccccc12
CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1c(C)nn(C)c1C
CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1c(C)nn(C)c1C |(10.17,-39.75,;9.4,-38.41,;10.17,-37.08,;7.86,-38.41,;7.09,-39.74,;5.55,-39.75,;4.79,-38.41,;5.54,-37.08,;7.09,-37.08,;3.25,-38.42,;2.47,-37.08,;.94,-37.09,;.18,-38.42,;-1.32,-38.74,;-1.49,-40.28,;-.07,-40.9,;.95,-39.75,;2.48,-39.75,;-2.82,-41.05,;-2.82,-42.59,;-4.15,-40.28,;-5.49,-41.06,;-6.83,-40.29,;-6.82,-38.74,;-8.16,-37.97,;-9.5,-37.2,;-5.49,-37.97,;-4.16,-38.73,;-5.51,-36.43,;-6.76,-35.53,;-8.22,-36.01,;-6.29,-34.06,;-4.75,-34.06,;-3.85,-32.81,;-4.27,-35.52,;-2.8,-35.99,)|
Nc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Cc1nc2CCc3cnc(Nc4ccc(Cl)nc4)nc3-c2s1
COc1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cn1
CN(C)c1ccc(Nc2ncc3CCc4nc(N)sc4-c3n2)cc1
Cc1nc2CCc3cnc(Nc4ccc(O)cc4)nc3-c2s1
Cc1nc2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c2s1
Cc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Cc1nc2CCc3cnc(Nc4cccc(O)c4)nc3-c2s1
Nc1nc2CCc3cnc(Nc4ccccc4)nc3-c2s1
COC(=O)c1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cc1
Cc1nc2CCc3cnc(Nc4ccccc4)nc3-c2s1
Cc1nc2CCc3cnc(Nc4ccc(cc4)C(F)(F)F)nc3-c2s1
Cc1nc2ccc3cnc(Nc4ccccc4)nc3c2s1
CN(C)c1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cc1
CN(c1cccc(c1)[N+]([O-])=O)c1ncc2CCc3nc(C)sc3-c2n1
CN(c1cccc(c1)[N+]([O-])=O)c1ncc2ccc3nc(C)sc3c2n1
Cc1nc2CCc3cnc(Nc4ccc(cc4)N4CCOCC4)nc3-c2s1
Cc1nc2CCc3cnc(N)nc3-c2s1
Cc1nc2ccc3cnc(NC(=O)c4ccccc4)nc3c2s1
Cc1nc2ccc3cnc(NCc4ccccc4)nc3c2s1
[#6]-[#6](-[#6])-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(nc12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r|
[#6]-[#6](-[#6])-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(-[#8]-[#6]-[#6@H]-3-[#6]-[#6]-[#6]-[#7]-3)nc12 |r|
[#6]-[#6](-[#6])-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(nc12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8] |r|
[#6]-[#6](-[#6])-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(-[#8]-[#6]-[#6@@H]-3-[#6]-[#6]-[#6]-[#7]-3)nc12 |r|
[#6]-[#6](-[#6])-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(-[#7]-[#6]-3-[#6]-[#6]-3)nc12
[#6]-[#6](-[#6])-[#6@@H](-[#6]-[#8])-[#7]-c1nc(\[#7]=[#6](\[#7])-[#7])c2ncn(-[#6](-[#6])-[#6])c2n1 |r|
[#6]-[#6](-[#6])-[#6@H](-[#7])-[#6]-[#8]-c1nc(\[#7]=[#6](\[#7])-[#7])c2ncn(-[#6](-[#6])-[#6])c2n1 |r|
[#6]-[#6](-[#6])-[#6@H](-[#6]-[#8])-[#7]-c1nc(\[#7]=[#6](\[#7])-[#7])c2ncn(-[#6](-[#6])-[#6])c2n1 |r|
[#6]-[#6](-[#6])-[#6@@H](-[#7])-[#6]-[#8]-c1nc(\[#7]=[#6](\[#7])-[#7])c2ncn(-[#6](-[#6])-[#6])c2n1 |r|
[#6]-[#6]-[#6@@H](-[#6]-[#8])-[#7]-c1nc(\[#7]=[#6](\[#7])-[#7])c2ncn(-[#6](-[#6])-[#6])c2n1 |r|
[#6]-[#6]-[#6@H](-[#7])-[#6]-[#8]-c1nc(\[#7]=[#6](\[#7])-[#7])c2ncn(-[#6](-[#6])-[#6])c2n1 |r|
[#6]-[#6]-[#6@H](-[#6]-[#8])-[#7]-c1nc(\[#7]=[#6](\[#7])-[#7])c2ncn(-[#6](-[#6])-[#6])c2n1 |r|
[#6]-[#6]-[#6@@H](-[#7])-[#6]-[#8]-c1nc(\[#7]=[#6](\[#7])-[#7])c2ncn(-[#6](-[#6])-[#6])c2n1 |r|
[#6]-[#6](-[#6])-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8])nc12
[#6]-[#6](-[#6])-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(-[#7]-[#6]-[#6]-[#6]-[#8])nc12
[#6]-[#6](-[#6])-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(-[#7]-[#6]-[#6]-[#8])nc12
CN(C)c1nc(N)nc2n(CCN=[N+]=[N-])cnc12
CCn1cnc2c(N)nc(N)nc12
CC(C)n1cnc2c(N)nc(N)nc12
[#6]-n1cnc2c(\[#7]=[#6](\[#7])-[#7])ncnc12
[#7]\[#6](-[#7])=[#7]\c1nc(-[#7])nc2n(-[#6]-[#6]-[#7]=[N+]=[#7-])cnc12
[#7]-[#6]-[#6]-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(-[#7])nc12
[#7]\[#6](-[#7])=[#7]\c1nc(-[#7])nc2n(-[#6]-[#6]-[#8])cnc12
[#7]\[#6](-[#7])=[#7]\c1nc(-[#7])nc2n(-[#6]C(F)(F)F)cnc12
[#6]-[#6]-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(-[#7])nc12
[#6]-[#6](-[#6])-[#6]-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(-[#7])nc12
[#6]-[#6](-[#6])-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(-[#7])nc12
[#6]-[#6]-[#6]-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(-[#7])nc12
[#6]-n1cnc2c(\[#7]=[#6](\[#7])-[#7])nc(-[#7])nc12
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1Cl
CCc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1-c1sc(NC)nc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1
CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1)C(F)(F)F
CNc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(F)(F)F
CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
CNc1ncc(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
CNc1ncc(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1O
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1O
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1F
CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1)-c1ccccc1
CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(O)c2)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1
CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1nnc2ccccc12 |r,wU:8.11,wD:5.4,(4.67,-9.66,;3.88,-8.32,;3.09,-6.98,;2.54,-9.1,;5.22,-7.53,;6.57,-8.3,;6.58,-9.85,;7.92,-10.61,;9.25,-9.83,;9.24,-8.29,;7.92,-7.53,;10.6,-10.6,;11.94,-9.82,;11.94,-8.28,;13.27,-7.51,;14.6,-8.27,;14.6,-9.82,;13.28,-10.59,;15.94,-10.58,;17.36,-10.03,;18.33,-11.22,;17.5,-12.52,;17.91,-14,;16.83,-15.08,;15.33,-14.67,;14.94,-13.22,;16.02,-12.12,)|
Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N
CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1
C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O
Cn1cc(-c2csc(n2)-c2c[nH]c3ccccc23)c2cccnc12
Cn1cc(-c2nc(cs2)-c2c[nH]c3ncccc23)c2cc(F)ccc12
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCOCC2)ncc1C#N
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)C(=O)N2CCOCC2)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(C)(=O)=O)ncc1C#N
CN1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(C)CC2)ncc1F
CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
Cc1nc(N)sc1-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cc(ccc2Cl)C(=O)N2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)ncc1F
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
Fc1cnc2[nH]cc(-c3nnc(N[C@H](C4CC4)c4cccnc4F)o3)c2c1 |r|
Fc1ccc2c(c[nH]c2n1)-c1nnc(N[C@H](C2CC2)c2cccnc2F)o1 |r|
Fc1ccccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncncc12)C1CC1 |r|
Fc1cnccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Fc1ncccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Fc1ccccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
CCNc1cc(N[C@@H]2CC[C@H](O)CC2)nc(Nc2ccc3n(Cc4ccccc4)ccc3c2)n1 |r,wU:10.10,7.6,(34.48,6.65,;34.48,5.11,;33.15,4.34,;33.15,2.8,;34.49,2.03,;34.49,.48,;35.82,-.28,;35.83,-1.82,;34.49,-2.59,;34.49,-4.12,;35.81,-4.9,;35.81,-6.44,;37.15,-4.13,;37.15,-2.59,;33.16,-.28,;31.82,.48,;30.48,-.28,;29.15,.49,;27.83,-.28,;26.49,.48,;26.49,2.03,;25.36,3.06,;23.82,3.07,;23.05,4.4,;23.83,5.74,;23.06,7.07,;21.52,7.07,;20.75,5.74,;21.52,4.41,;25.99,4.47,;27.52,4.3,;27.83,2.79,;29.16,2.03,;31.82,2.03,)|
Nc1ccc2c(c1)[nH]c1ccccc1c2=S
Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1 |r|
CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3
c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5
Oc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
N#Cc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
C1CCC(C1)n1c2nnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
C[C@@H](CO)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r|
O[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(9.78,-56.01,;9.31,-54.55,;10.34,-53.41,;9.88,-51.94,;8.38,-51.63,;7.35,-52.76,;7.81,-54.22,;7.91,-50.17,;8.82,-48.92,;10.35,-48.76,;10.98,-47.35,;10.07,-46.1,;8.54,-46.26,;7.92,-47.66,;6.44,-48.14,;5.1,-47.37,;3.77,-48.15,;3.78,-49.68,;2.45,-50.46,;2.45,-52,;3.79,-52.76,;3.8,-54.31,;2.46,-55.09,;1.12,-54.32,;1.12,-52.77,;2.46,-56.63,;1.12,-57.4,;1.11,-58.93,;2.44,-59.71,;3.78,-58.94,;3.79,-57.4,;5.11,-50.45,;6.44,-49.69,)|
C1CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
CC1CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |(35.98,-56.71,;35.51,-55.25,;34.01,-54.92,;33.54,-53.46,;34.57,-52.32,;36.08,-52.63,;36.55,-54.1,;34.1,-50.85,;35.01,-49.6,;36.54,-49.45,;37.17,-48.04,;36.26,-46.79,;34.73,-46.95,;34.11,-48.35,;32.64,-48.83,;31.29,-48.06,;29.97,-48.84,;29.98,-50.37,;28.65,-51.14,;28.65,-52.68,;29.99,-53.45,;29.99,-55,;28.66,-55.77,;27.32,-55,;27.33,-53.45,;28.66,-57.31,;27.32,-58.08,;27.31,-59.61,;28.64,-60.38,;29.98,-59.62,;29.99,-58.07,;31.31,-51.14,;32.63,-50.37,)|
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(47.68,-57.06,;47.21,-55.59,;48.24,-54.45,;47.78,-52.99,;46.29,-52.68,;45.25,-53.81,;45.71,-55.26,;45.82,-51.22,;46.72,-49.97,;48.26,-49.81,;48.89,-48.4,;47.98,-47.15,;46.45,-47.31,;45.82,-48.71,;44.35,-49.19,;43,-48.42,;41.68,-49.2,;41.69,-50.73,;40.36,-51.51,;40.36,-53.05,;41.7,-53.81,;41.7,-55.37,;40.36,-56.14,;39.03,-55.37,;39.03,-53.82,;40.36,-57.68,;39.02,-58.45,;39.02,-59.98,;40.35,-60.76,;41.69,-59.99,;41.7,-58.45,;43.02,-51.51,;44.34,-50.74,)|
CC1(C)CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
CC1(C)CCCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nc3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(34.74,-35.4,;34.27,-33.94,;35.31,-32.8,;34.84,-31.33,;33.33,-31.01,;32.3,-32.15,;32.77,-33.61,;32.86,-29.55,;33.77,-28.3,;35.3,-28.14,;35.93,-26.73,;35.02,-25.48,;33.49,-25.65,;32.87,-27.05,;31.4,-27.52,;30.05,-26.75,;28.73,-27.53,;28.74,-29.06,;27.41,-29.84,;27.41,-31.38,;28.74,-32.13,;28.75,-33.66,;27.42,-34.45,;26.08,-33.68,;26.08,-32.14,;27.42,-35.99,;26.09,-36.76,;26.1,-38.29,;27.43,-39.06,;28.76,-38.29,;28.76,-36.74,;30.07,-29.83,;31.39,-29.07,)|
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(45.37,-36.01,;44.9,-34.54,;45.94,-33.4,;45.47,-31.93,;43.97,-31.61,;42.93,-32.75,;43.4,-34.21,;43.49,-30.15,;44.4,-28.9,;45.93,-28.74,;46.56,-27.34,;45.65,-26.08,;44.12,-26.25,;43.5,-27.65,;42.03,-28.12,;40.68,-27.36,;39.36,-28.13,;39.37,-29.66,;38.04,-30.44,;38.04,-31.98,;39.37,-32.73,;39.38,-34.27,;38.05,-35.05,;36.71,-34.28,;36.71,-32.74,;38.06,-36.59,;36.72,-37.36,;36.73,-38.89,;38.06,-39.67,;39.39,-38.89,;39.39,-37.35,;40.7,-30.43,;42.02,-29.67,)|
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC(N)CC3)nc12 |r,wU:4.7,wD:1.0,(11.29,-49.99,;10.82,-48.52,;11.85,-47.38,;11.38,-45.91,;9.88,-45.59,;8.84,-46.74,;9.31,-48.2,;9.41,-44.13,;10.31,-42.88,;11.84,-42.73,;12.48,-41.32,;11.56,-40.07,;10.04,-40.23,;9.41,-41.63,;7.94,-42.1,;6.6,-41.34,;5.27,-42.12,;5.28,-43.65,;3.95,-44.42,;3.96,-45.96,;5.29,-46.72,;5.3,-48.25,;3.96,-49.03,;2.63,-48.27,;2.62,-46.73,;3.97,-50.58,;2.64,-51.35,;2.64,-52.89,;3.98,-53.66,;3.98,-55.2,;5.31,-52.88,;5.31,-51.34,;6.62,-44.42,;7.94,-43.65,)|
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC(CC3)N(C)C)nc12 |r,wU:4.7,wD:1.0,(23.53,-50.28,;23.06,-48.82,;24.09,-47.68,;23.62,-46.2,;22.12,-45.89,;21.08,-47.03,;21.55,-48.49,;21.65,-44.42,;22.55,-43.17,;24.08,-43.02,;24.72,-41.61,;23.8,-40.36,;22.28,-40.52,;21.65,-41.92,;20.18,-42.4,;18.83,-41.63,;17.51,-42.41,;17.52,-43.94,;16.19,-44.71,;16.17,-46.25,;17.49,-47.02,;17.48,-48.55,;16.14,-49.31,;14.82,-48.53,;14.84,-47,;16.13,-50.84,;14.78,-51.59,;14.77,-53.13,;16.09,-53.92,;17.43,-53.16,;17.45,-51.62,;16.07,-55.46,;14.73,-56.21,;17.4,-56.24,;18.85,-44.71,;20.18,-43.94,)|
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CC3)N(C)C)nc12 |r,wU:4.7,wD:1.0,(36.03,-51.17,;35.57,-49.71,;36.6,-48.56,;36.13,-47.09,;34.63,-46.77,;33.59,-47.92,;34.06,-49.38,;34.16,-45.31,;35.06,-44.06,;36.59,-43.9,;37.22,-42.5,;36.31,-41.25,;34.79,-41.41,;34.16,-42.81,;32.69,-43.28,;31.34,-42.52,;30.02,-43.3,;30.03,-44.83,;28.7,-45.6,;28.68,-47.13,;30,-47.91,;29.99,-49.43,;28.65,-50.19,;27.33,-49.41,;27.35,-47.88,;28.64,-51.73,;27.29,-52.48,;27.28,-54.01,;28.6,-54.8,;29.94,-54.05,;29.96,-52.5,;28.58,-56.34,;27.24,-57.1,;29.91,-57.13,;31.36,-45.6,;32.69,-44.83,)|
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(N4CCC(CC4)N(C)C)c(F)n3)nc12 |r,wU:4.7,wD:1.0,(48.6,-50.76,;48.13,-49.29,;49.17,-48.15,;48.7,-46.68,;47.19,-46.36,;46.16,-47.5,;46.63,-48.96,;46.72,-44.9,;47.63,-43.65,;49.16,-43.49,;49.79,-42.08,;48.88,-40.83,;47.35,-40.99,;46.73,-42.4,;45.26,-42.87,;43.91,-42.1,;42.58,-42.88,;42.6,-44.41,;41.27,-45.19,;41.25,-46.72,;42.56,-47.49,;42.55,-49.02,;41.22,-49.78,;41.2,-51.31,;39.86,-52.07,;39.84,-53.6,;41.17,-54.39,;42.51,-53.63,;42.53,-52.09,;41.15,-55.93,;39.8,-56.68,;42.47,-56.72,;39.9,-49,;38.55,-49.76,;39.91,-47.47,;43.93,-45.18,;45.25,-44.42,)|
COc1nc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)ccc1N1CCC(CC1)N(C)C |r,wU:17.17,wD:20.21,(.78,-65.37,;2.1,-66.15,;3.44,-65.38,;3.44,-63.83,;4.77,-63.06,;4.76,-61.52,;6.09,-60.75,;6.08,-59.22,;7.4,-58.44,;8.75,-59.21,;10.22,-58.73,;10.84,-57.33,;12.37,-57.17,;13.28,-58.42,;12.65,-59.83,;11.12,-59.98,;10.21,-61.23,;10.69,-62.7,;12.2,-63.02,;12.67,-64.49,;11.63,-65.63,;12.1,-67.1,;10.13,-65.3,;9.66,-63.84,;8.74,-60.75,;7.42,-61.52,;6.1,-63.83,;6.11,-65.38,;4.77,-66.15,;4.77,-67.69,;3.43,-68.46,;3.43,-69.99,;4.76,-70.76,;6.09,-70,;6.1,-68.45,;4.75,-72.3,;3.41,-73.07,;6.08,-73.08,)|
C[C@@H](O)CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)nn1 |r,wU:28.29,1.0,wD:31.33,(19.97,-71.17,;19.95,-72.71,;21.28,-73.5,;18.61,-73.46,;17.29,-72.68,;15.94,-73.43,;17.3,-71.14,;15.98,-70.35,;16,-68.81,;17.34,-68.07,;18.67,-68.84,;18.65,-70.38,;17.35,-66.53,;18.69,-65.77,;18.7,-64.24,;17.39,-63.47,;17.4,-61.93,;18.73,-61.16,;18.72,-59.63,;20.05,-58.85,;21.39,-59.62,;22.86,-59.14,;23.49,-57.74,;25.02,-57.58,;25.93,-58.83,;25.3,-60.24,;23.77,-60.39,;22.86,-61.64,;23.33,-63.11,;24.84,-63.42,;25.31,-64.9,;24.27,-66.04,;24.74,-67.5,;22.76,-65.71,;22.3,-64.25,;21.39,-61.16,;20.07,-61.93,;16.05,-64.22,;16.03,-65.75,)|
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCN(CC3)C(=O)CO)nc12 |r,wU:4.7,wD:1.0,(38.73,-67.78,;38.26,-66.31,;39.3,-65.17,;38.83,-63.7,;37.32,-63.38,;36.29,-64.52,;36.76,-65.98,;36.85,-61.92,;37.76,-60.67,;39.29,-60.51,;39.92,-59.1,;39.01,-57.85,;37.48,-58.01,;36.86,-59.41,;35.39,-59.89,;34.04,-59.12,;32.71,-59.9,;32.73,-61.43,;31.4,-62.21,;31.38,-63.74,;32.69,-64.51,;32.68,-66.04,;31.35,-66.8,;30.03,-66.02,;30.04,-64.49,;31.33,-68.34,;29.99,-69.09,;29.97,-70.62,;31.3,-71.41,;32.64,-70.65,;32.66,-69.11,;31.28,-72.95,;29.93,-73.7,;32.6,-73.73,;33.94,-72.98,;34.06,-62.2,;35.38,-61.43,)|
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CS(C)(=O)=O)CC3)nc12 |r,wU:4.7,wD:1.0,(9.65,-57.17,;9.18,-55.71,;10.22,-54.56,;9.75,-53.09,;8.24,-52.78,;7.21,-53.92,;7.68,-55.38,;7.77,-51.31,;8.68,-50.06,;10.21,-49.91,;10.84,-48.5,;9.93,-47.25,;8.4,-47.41,;7.78,-48.81,;6.31,-49.28,;4.96,-48.52,;3.64,-49.3,;3.65,-50.83,;2.32,-51.6,;2.3,-53.14,;3.62,-53.91,;3.61,-55.44,;2.27,-56.2,;.95,-55.42,;.97,-53.89,;2.26,-57.75,;.92,-58.5,;.9,-60.03,;2.23,-60.82,;2.21,-62.36,;3.53,-63.15,;4.87,-62.4,;2.75,-64.47,;4.29,-64.47,;3.57,-60.07,;3.59,-58.52,;4.98,-51.6,;6.3,-50.83,)|
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC4(CCS(=O)(=O)C4)CC3)nc12 |r,wU:4.7,wD:1.0,(21.52,-57.68,;21.05,-56.21,;22.09,-55.07,;21.62,-53.6,;20.11,-53.29,;19.08,-54.43,;19.55,-55.88,;19.64,-51.83,;20.55,-50.58,;22.08,-50.42,;22.71,-49.01,;21.8,-47.76,;20.27,-47.93,;19.65,-49.33,;18.18,-49.8,;16.83,-49.03,;15.51,-49.81,;15.52,-51.34,;14.19,-52.11,;14.18,-53.65,;15.49,-54.42,;15.48,-55.94,;14.14,-56.7,;12.82,-55.92,;12.84,-54.39,;14.13,-58.23,;12.79,-58.99,;12.77,-60.52,;14.09,-61.31,;12.83,-62.2,;13.28,-63.67,;14.83,-63.7,;14.81,-65.24,;16.31,-64.09,;15.33,-62.24,;15.44,-60.55,;15.46,-59.01,;16.85,-52.11,;18.17,-51.34,)|
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC4(CCC(=O)N4)CC3)nc12 |r,wU:4.7,wD:1.0,(34.23,-57.43,;33.76,-55.97,;34.8,-54.83,;34.33,-53.35,;32.82,-53.04,;31.79,-54.18,;32.26,-55.64,;32.35,-51.57,;33.26,-50.32,;34.79,-50.17,;35.42,-48.76,;34.51,-47.51,;32.98,-47.67,;32.36,-49.07,;30.88,-49.55,;29.54,-48.78,;28.21,-49.56,;28.23,-51.09,;26.89,-51.86,;26.88,-53.4,;28.19,-54.17,;28.18,-55.7,;26.84,-56.46,;25.52,-55.68,;25.54,-54.15,;26.83,-57.99,;25.49,-58.74,;25.47,-60.28,;26.8,-61.07,;25.55,-61.97,;26.03,-63.44,;27.57,-63.44,;28.47,-64.69,;28.04,-61.97,;28.14,-60.31,;28.16,-58.77,;29.56,-51.86,;30.88,-51.09,)|
COc1nc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)ccc1N1CCC2(CCC(=O)N2)CC1 |r,wU:17.17,wD:20.21,(36.2,-55.73,;37.53,-56.52,;38.87,-55.76,;38.89,-54.23,;40.23,-53.48,;40.24,-51.95,;41.57,-51.18,;41.56,-49.64,;42.89,-48.87,;44.23,-49.63,;45.7,-49.16,;46.33,-47.76,;47.86,-47.59,;48.77,-48.84,;48.14,-50.25,;46.6,-50.41,;45.7,-51.66,;46.17,-53.12,;47.67,-53.44,;48.14,-54.91,;47.11,-56.05,;47.58,-57.52,;45.6,-55.72,;45.13,-54.26,;44.23,-51.18,;42.9,-51.95,;41.54,-54.25,;41.53,-55.78,;40.19,-56.54,;40.18,-58.07,;38.84,-58.83,;38.82,-60.36,;40.14,-61.15,;38.9,-62.06,;39.37,-63.52,;40.91,-63.52,;41.82,-64.77,;41.39,-62.06,;41.49,-60.4,;41.51,-58.85,)|
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(=O)CO)nc12 |r,wU:4.7,wD:1.0,(4.13,-3.21,;3.73,-1.73,;4.82,-.64,;4.42,.85,;2.93,1.25,;1.84,.16,;2.24,-1.33,;2.53,2.74,;3.44,3.98,;4.97,4.14,;5.6,5.55,;4.69,6.8,;3.16,6.64,;2.53,5.23,;1.07,4.75,;-.26,5.52,;-1.6,4.75,;-1.6,3.21,;-2.93,2.44,;-2.93,.9,;-1.6,.13,;-1.6,-1.41,;-2.93,-2.18,;-2.93,-3.72,;-4.26,-4.49,;-5.6,-3.72,;-5.6,-2.18,;-4.26,-1.41,;-4.26,.13,;-4.26,-6.03,;-5.6,-6.8,;-2.93,-6.8,;-1.6,-6.03,;-.26,2.44,;1.07,3.21,)|
c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6
Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Clc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Cc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
NC(=O)c1sc(nc1-c1ccc(Cl)cc1Cl)-c1ccnc(N)n1
COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1
CC(C)N1CCN(Cc2ccc(Nc3nccc(n3)-c3ccc4nc(C)n(C(C)C)c4c3)nc2)CC1
CC(C)n1c(C)nc2ccc(cc12)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
COc1ccc(Nc2nccc(n2)-c2ccc3nc(C)n(C(C)C)c3c2)cc1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1
C(Cc1c[nH]c2ncccc12)Cn1nncc1-c1cc2cccnc2[nH]1
CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN
Cc1nn(-c2ccccc2)c2nc(CCl)n(C)c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CCl)n(CC#N)c(=O)c12
CCOC(=O)Cn1c(CCl)nc2n(nc(C)c2c1=O)-c1ccccc1
Cc1nn(-c2ccccc2)c2nc(CCl)n(Cc3ccccc3)c(=O)c12
COCc1nc2n(nc(C)c2c(=O)[nH]1)-c1ccccc1
CCOCc1nc2n(nc(C)c2c(=O)[nH]1)-c1ccccc1
CCCOCc1nc2n(nc(C)c2c(=O)[nH]1)-c1ccccc1
COCc1nc2n(nc(C)c2c(=O)n1C)-c1ccccc1
COCc1nc2n(nc(C)c2c(=O)n1CC#N)-c1ccccc1
CCOC(=O)Cn1c(COC)nc2n(nc(C)c2c1=O)-c1ccccc1
COCc1nc2n(nc(C)c2c(=O)n1Cc1ccccc1)-c1ccccc1
CCOCc1nc2n(nc(C)c2c(=O)n1C)-c1ccccc1
CCOCc1nc2n(nc(C)c2c(=O)n1CC#N)-c1ccccc1
CCOCc1nc2n(nc(C)c2c(=O)n1CC(=O)OCC)-c1ccccc1
CCOCc1nc2n(nc(C)c2c(=O)n1Cc1ccccc1)-c1ccccc1
Cc1nn(-c2ccccc2)c2nc(CNc3ccccc3)[nH]c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccc(C)cc3)[nH]c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)[nH]c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccc(cc3)C(O)=O)[nH]c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccccc3)n(C)c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)n(C)c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccccc3)n(CC#N)c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)n(CC#N)c(=O)c12
CCN(CC)Cc1nc2n(nc(C)c2c(=O)[nH]1)-c1ccccc1
Cc1nn(-c2ccccc2)c2nc(CN3CCCCC3)[nH]c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CN3CCOCC3)[nH]c(=O)c12
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
CCNCc1cncc(c1C)-c1cccc2[nH]nc(-c3nc4c(F)cc(F)cc4[nH]3)c12
COc1cc(F)ccc1-c1ccnc(NC(=O)[C@@H]2CC[C@@H](C2)NC(C)=O)c1 |r|
COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|
CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1
CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
CC(C)n1cnc2c(Nc3cc(Cl)cc(NC(C)=O)c3)nc(N[C@H]3CCCC[C@H]3N)nc12 |r|
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc12
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc12 |r|
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc12 |r|
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|
CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|
CC(C)n1cnc2c(Nc3cc(Cl)cc(NC(C)=O)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|
CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc12 |r|
CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc12 |r|
CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12 |r|
CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCNC3)nc12 |r|
CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCNC3)nc12 |r|
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc12 |r|
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc12 |r|
CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc12 |r|
CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCNC3)nc12 |r|
NS(=O)(=O)c1ccc(Nc2cc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nn[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cn[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cc[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3nc[nH]c3n2)cc1
CCC(C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12
NS(=O)(=O)c1ccc(Nc2nc(OCC#C)c3nc[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)c3nc[nH]c3n2)cc1