SMILES for Endoplasmin

433 SMILES Strings for Endoplasmin

Compound Name

SMILES String

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccccc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;3.95,-1.8,;2.48,-1.33,;2.16,.18,;3.31,1.21,;4.77,.73,)|

BDBM210940

Cc1ccccc1-c1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(4.27,-3.31,;3.95,-1.8,;2.48,-1.33,;2.16,.18,;3.31,1.21,;4.77,.73,;5.09,-.77,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|

BDBM210941

Cc1cccc(c1)-c1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(2.99,2.71,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,;5.09,-.77,;4.77,.73,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|

BDBM210942

Cc1ccc(cc1)-c1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(.7,.65,;2.16,.18,;2.48,-1.33,;3.95,-1.8,;5.09,-.77,;4.77,.73,;3.31,1.21,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|

BDBM210943

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccccc1Cl |(2.67,4.62,;1.33,3.85,;,4.62,;1.33,2.31,;,1.54,;;1.33,-.77,;2.67,,;2.67,1.54,;4,2.31,;5.33,1.54,;6.67,2.31,;8,1.54,;8,,;9.34,-.77,;6.67,-.77,;5.33,,;1.33,-2.31,;2.58,-3.22,;2.1,-4.68,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;-1.7,-1.23,;-3.16,-.76,;-4.31,-1.79,;-3.99,-3.29,;-2.52,-3.77,;-2.2,-5.28,)|

BDBM210944

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1cccc(Cl)c1 |(,4.62,;1.33,3.85,;2.67,4.62,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-5.33,1.54,;-4,2.31,;1.33,-2.31,;.09,-3.22,;.56,-4.68,;2.1,-4.68,;2.58,-3.22,;4.04,-2.74,;5.19,-3.77,;6.65,-3.29,;6.97,-1.79,;5.83,-.76,;6.15,.75,;4.36,-1.23,)|

BDBM210945

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccc(Cl)cc1 |(,4.62,;1.33,3.85,;2.67,4.62,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-5.33,1.54,;-4,2.31,;1.33,-2.31,;.09,-3.22,;.56,-4.68,;2.1,-4.68,;2.58,-3.22,;4.04,-2.74,;4.36,-1.23,;5.83,-.76,;6.97,-1.79,;8.44,-1.31,;6.65,-3.29,;5.19,-3.77,)|

BDBM210946

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccccn1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;4.77,.73,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,)|

BDBM210947

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1cccnc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;4.77,.73,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,)|

BDBM210948

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccncc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;4.77,.73,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,)|

BDBM210949

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;8.48,-6.42,;7.34,-5.39,)|

BDBM210950

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1CCc1ccccc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;10.51,-.77,;11.66,-1.8,;13.12,-1.33,;13.44,.18,;14.91,.65,;16.05,-.38,;15.73,-1.88,;14.27,-2.36,)|

BDBM210951

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1Cl |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)|

BDBM210952

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1cccc(Cl)c1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;11.73,-3.96,;9.12,-3.41,)|

BDBM210953

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccc(Cl)cc1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;11.09,-6.98,;8.48,-6.42,;7.34,-5.39,)|

BDBM210954

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1F |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)|

BDBM210955

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1cccc(F)c1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;11.73,-3.96,;9.12,-3.41,)|

BDBM210956

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccc(F)cc1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;11.09,-6.98,;8.48,-6.42,;7.34,-5.39,)|

BDBM210957

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1Br |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)|

BDBM210958

Cc1ccccc1Cc1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(13.44,.18,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;12.48,-4.34,;11.34,-3.31,;11.66,-1.8,;10.51,-.77,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|

BDBM210959

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1O |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)|

BDBM210960

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1cccc(O)c1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;11.73,-3.96,;9.12,-3.41,)|

BDBM210961

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccc(O)cc1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;11.09,-6.98,;8.48,-6.42,;7.34,-5.39,)|

BDBM210962

COc1ccccc1Cc1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(14.91,.65,;13.44,.18,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;12.48,-4.34,;11.34,-3.31,;11.66,-1.8,;10.51,-.77,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|

BDBM210963

NC(=O)c1ccc(cc1N[C@H]1CC[C@H](O)CC1)-n1cccc1Cc1c(F)cccc1F |r,wU:10.10,wD:13.14,(21.96,-8.2,;20.62,-7.43,;19.29,-8.2,;20.62,-5.89,;21.96,-5.12,;21.96,-3.58,;20.62,-2.81,;19.29,-3.58,;19.29,-5.12,;17.96,-5.89,;16.62,-5.12,;15.29,-5.89,;13.96,-5.12,;13.96,-3.58,;12.62,-2.81,;15.29,-2.81,;16.62,-3.58,;20.62,-1.27,;19.38,-.36,;19.85,1.1,;21.39,1.1,;21.87,-.36,;23.34,-.84,;24.48,.19,;25.94,-.28,;26.26,-1.79,;27.09,.75,;26.77,2.26,;25.3,2.73,;24.16,1.7,;22.7,2.18,)|

BDBM210964

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccn1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;10.51,-.77,;11.66,-1.8,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;12.48,-4.34,;11.34,-3.31,)|

BDBM210965

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1cccnc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;10.51,-.77,;11.66,-1.8,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;12.48,-4.34,;11.34,-3.31,)|

BDBM210966

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccncc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;10.51,-.77,;11.66,-1.8,;11.34,-3.31,;12.48,-4.34,;13.95,-3.87,;14.27,-2.36,;13.12,-1.33,)|

BDBM501623

COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccccc3)Cl)O)O

BDBM501624

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccc(Cc2ccccc2)c1

BDBM501625

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cc(OC)ccc1Cc1ccccc1

BDBM501626

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccc(OC)cc1Cc1ccccc1

BDBM501627

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccc(OC)c1Cc1ccccc1

BDBM501628

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cc(N)ccc1Cc1ccccc1

BDBM501629

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccc(N)cc1Cc1ccccc1

BDBM501630

COC(=O)c1c(cc(c(c1CCc2cccnc2Cc3ccccc3)Cl)O)O

BDBM501631

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cc(O)ccc1Cc1ccccc1

BDBM501632

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccc(O)cc1Cc1ccccc1

BDBM501633

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccc(O)c1Cc1ccccc1

BDBM501634

CCOc1ccccc1Cc1ccccc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC

BDBM501635

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccccc1OC

BDBM501636

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccccc1Cl

BDBM501637

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1cccc(Cl)c1

BDBM501638

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccc(Cl)cc1

BDBM50450703

COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccc(cc3)F)Cl)O)O

BDBM501640

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccnc1Cc1ccc(F)cc1

BDBM50270471

c1ccc(cc1)Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)Cl

BDBM50270472

COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)C(=O)OC)O)O

BDBM50087812

COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O

BDBM50279156

Oc1cc(O)c(cc1Sc1cc(Cl)cc(Cl)c1)C(=O)N1Cc2ccccc2C1

BDBM50279157

Oc1cc(O)c(cc1N1CCc2ccccc12)C(=O)N1Cc2ccccc2C1

BDBM50279158

COc1cccc(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)c1

BDBM50279170

Oc1cc(O)c(cc1Sc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1

BDBM50279171

Cc1ccc(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)c(C)c1

BDBM50279160

CCOC(=O)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O

BDBM50279161

Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-c1ccccc1

BDBM50279187

Oc1cc(O)c(cc1Cc1ccc(F)cc1)C(=O)N1Cc2ccccc2C1

BDBM50279173

Cc1ccc(Cc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)cc1

BDBM50279188

Oc1cc(O)c(cc1Cc1ccccc1Cl)C(=O)N1Cc2ccccc2C1

BDBM50279159

Cc1ccc(C)c(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)c1

BDBM50279172

Cc1ccc(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)cc1C

BDBM50279189

Oc1ccc(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)cc1

BDBM50279190

Oc1ccccc1Sc1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O

BDBM50279174

COC(=O)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O

BDBM50279185

Oc1cc(O)c(cc1Cc1ccccc1)C(=O)N1Cc2ccccc2C1

BDBM50279186

CN(c1ccccc1)c1ccc(O)c(c1)C(=O)N1Cc2ccccc2C1

BDBM50279155

Oc1cc(O)c(cc1Sc1ccccc1)C(=O)N1Cc2ccccc2C1

BDBM227590

c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br

BDBM50279191

Oc1cc(O)c(cc1Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C1

BDBM50450702

Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N

BDBM50087813

COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)NC1=CC(=O)C(OC)=CC1=O |c:25,t:19|

BDBM50450701

NC(=O)c1ccc(cc1N[C@H]1CC[C@H](O)CC1)-n1cccc1Cc1ccccc1O |r,wU:10.10,wD:13.14,(45.82,-28.46,;47.15,-27.69,;47.15,-26.16,;48.49,-28.46,;48.49,-30,;49.83,-30.77,;51.16,-30,;51.16,-28.46,;49.82,-27.69,;49.82,-26.16,;51.16,-25.38,;51.16,-23.84,;52.49,-23.07,;53.83,-23.84,;55.16,-23.07,;53.83,-25.38,;52.49,-26.16,;52.49,-30.77,;52.65,-32.3,;54.15,-32.61,;54.92,-31.28,;53.89,-30.14,;54.29,-28.66,;55.78,-28.26,;56.86,-29.35,;58.35,-28.95,;58.75,-27.47,;57.66,-26.38,;56.17,-26.77,;55.08,-25.68,)|

BDBM21220

CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

BDBM50450704

CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C

BDBM50526863

CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2cnoc12

BDBM126083

CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O

BDBM50180302

CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4

BDBM50439621

CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c3)ccn4C

BDBM50540232

CC(C)c1cc(-c2nnn(Cc3ccccc3)c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O

BDBM50540236

COC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O

BDBM50540237

COC(=O)Cn1nnc(c1-c1cccc(c1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O

BDBM50540238

COC(=O)Cn1nnc(c1-c1cccc(NS(C)(=O)=O)c1)-c1cc(C(C)C)c(O)cc1O

BDBM50540239

COC(=O)Cn1nnc(c1-c1ccc2OCCOc2c1)-c1cc(C(C)C)c(O)cc1O

BDBM50540240

COC(=O)Cn1nnc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O

BDBM50540241

COC(=O)Cn1nnc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O

BDBM50540242

COC(=O)Cn1nnc(c1-c1ccc(OCCN(C)C)cc1)-c1cc(C(C)C)c(O)cc1O

BDBM50540248

CCOC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O

BDBM50540249

CCOC(=O)Cn1nnc(c1-c1cccc(c1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O

BDBM50540250

CCOC(=O)Cn1nnc(c1-c1cccc(NS(C)(=O)=O)c1)-c1cc(C(C)C)c(O)cc1O

BDBM50540251

CCOC(=O)Cn1nnc(c1-c1ccc2OCCOc2c1)-c1cc(C(C)C)c(O)cc1O

BDBM14487

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

BDBM50009525

Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50552883

Nc1nc(S)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50214817

NNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

BDBM50163023

CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

BDBM50090850

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N

BDBM50552884

CC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50552885

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)O)O)O)N

BDBM50552886

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2cccnc2)[C@@H](O)[C@H]1O |r|

BDBM50552887

Nc1ncnc2n3[C@@H]4O[C@H](COc3nc12)[C@@H](O)[C@H]4O |r,THB:5:6:15.17:8|

BDBM50407975

CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

BDBM50389796

CCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

BDBM50389797

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1

BDBM50552888

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1(F)F |r|

BDBM50552889

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)N)O)O)N

BDBM50389798

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCC1 |r|

BDBM50552890

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1COC1 |r|

BDBM50552891

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCF |r|

BDBM50552892

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC(F)F |r|

BDBM50552893

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCF |r|

BDBM50552894

NC(=O)CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50552895

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC[C@H](O)CO |r|

BDBM50552896

C[C@@H](NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|

BDBM50331791

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|

BDBM50552897

CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N)nc12 |r|

BDBM50100420

Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O

BDBM50552898

CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)ncnc12 |r|

BDBM50552899

CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)nc(Cl)nc12 |r|

BDBM50552900

Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NCC(F)F |r|

BDBM50552901

Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NCC(F)F |r|

BDBM50100419

CCNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)ncnc12

BDBM50552902

CCNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)nc(Cl)nc12 |r|

BDBM50552903

Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NC1CC1(F)F |r|

BDBM50552904

NC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)nc(Cl)nc12 |r|

BDBM50552905

Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NCCCF |r|

BDBM50552906

Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NCCCF |r|

BDBM50552907

CCNc1nc(N)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NC |r|

BDBM50555416

CC(C)c1cc(C(=O)N2CCc3nc(C)ncc3C2)c(O)cc1O

BDBM50555415

CC(C)c1cc(C(=O)N2Cc3cnc(C)nc3C2)c(O)cc1O

BDBM50005782

CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)C

BDBM50555430

COc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555431

CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C

BDBM50555432

CCCOc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555433

CC(C)Oc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555434

CCCCOc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555435

CC(C)COc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555440

COCCOc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555441

CC(C)c1cc(C(=O)N2CCc3nc(OCCN(C)C)ncc3C2)c(O)cc1O

BDBM50555442

CCN(CC)CCOc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555447

COCCOc1nc2CCN(Cc2c(OC)n1)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555448

CCOc1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555449

CCCOc1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555450

COCCOc1nc2CCN(Cc2c(OC(C)C)n1)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555451

CNc1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555452

CCNc1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555453

CCCNc1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555454

COCCOc1nc2CCN(Cc2c(NC(C)C)n1)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555455

COCCOc1nc2CCN(Cc2c(NC2CC2)n1)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555456

COCCOc1nc2CCN(Cc2c(n1)N(C)C)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50555457

CCN(CC)c1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O

BDBM50003868

Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)C(=O)NCC4

BDBM50240873

c1c(c(cc2c1OCO2)Br)Cn3c4c(cn3)c(nc(n4)N)Cl

BDBM50571896

c1c(c(cc2c1OCO2)Br)Cn3c4c(c(nc(n4)N)Cl)nc3O

BDBM50571897

c1cc(c(cc1Br)F)Cn2c3c(c(nc(n3)N)Cl)nc2O

BDBM50571898

Nc1nc(Cl)c2nc(O)n(Cc3ccc(F)c(Cl)c3)c2n1

BDBM50571899

Nc1nc(Cl)c2nc(O)n(Cc3cc(Cl)ccc3F)c2n1

BDBM50571900

Nc1nc(Cl)c2nc(O)n(Cc3cc(ccc3Cl)C(F)(F)F)c2n1

BDBM50571901

Nc1nc(Cl)c2nc(O)n(Cc3ccc(Cl)c(Cl)c3)c2n1

BDBM50571902

COc1cc(F)c(Cn2c(O)nc3c(Cl)nc(N)nc23)c(F)c1

BDBM50571903

Cc1ccc(Cn2c(O)nc3c(Cl)nc(N)nc23)c(F)c1

BDBM50571904

Nc1nc(Cl)c2nc(S)n(Cc3cc4OCOc4cc3Br)c2n1

BDBM50571905

Nc1nc(Cl)c2nc(S)n(Cc3ccc(Br)cc3F)c2n1

BDBM50571906

Nc1nc(Cl)c2nc(S)n(Cc3ccc(F)c(Cl)c3)c2n1

BDBM50571907

Nc1nc(Cl)c2nc(S)n(Cc3cc(ccc3Cl)C(F)(F)F)c2n1

BDBM50571908

Nc1nc(Cl)c2nc(S)n(Cc3ccc(Cl)c(Cl)c3)c2n1

BDBM50571909

COc1cc(F)c(Cn2c(S)nc3c(Cl)nc(N)nc23)c(F)c1

BDBM50571910

Cc1ccc(Cn2c(S)nc3c(Cl)nc(N)nc23)c(F)c1

BDBM50571911

Nc1nc(Cl)c2nc(S)n(Cc3c(F)ccc(F)c3F)c2n1

BDBM50571912

Nc1nc(Cl)c2nc(S)n(Cc3ccc(cc3)C(F)(F)F)c2n1

BDBM50571913

Nc1nc2c(Cl)nc(N)nc2n1Cc1cc2OCOc2cc1Br

BDBM50571914

Nc1nc2c(Cl)nc(N)nc2n1Cc1ccc(Br)cc1F

BDBM50571915

Nc1nc2c(Cl)nc(N)nc2n1Cc1ccc(F)c(Cl)c1

BDBM50571916

Nc1nc2N(Cc3cc4OCOc4cc3Br)C(=O)Cc2c(Cl)n1

BDBM50571917

Nc1nc2N(Cc3ccc4OCOc4c3)C(=O)Cc2c(Cl)n1

BDBM50571918

Nc1nc2N(Cc3ccc(Br)cc3F)C(=O)Cc2c(Cl)n1

BDBM50571919

Nc1nc2N(Cc3cc(ccc3Cl)C(F)(F)F)C(=O)Cc2c(Cl)n1

BDBM50571920

COc1cccc(CN2C(=O)Cc3c2nc(N)nc3Cl)c1OC

BDBM50571921

Nc1nc2N(Cc3ccc(Cl)c(Cl)c3)C(=O)Cc2c(Cl)n1

BDBM50571922

COc1ccc(F)c(CN2C(=O)Cc3c2nc(N)nc3Cl)c1F

BDBM50571923

Cc1ccc(CN2C(=O)Cc3c2nc(N)nc3Cl)c(F)c1

BDBM50571924

Nc1nc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)Cc2c(Cl)n1

BDBM50582397

CC(C)c1n[nH]c2nccc(-n3cnc(c3)-c3cccnc3)c12

BDBM50582398

CC(C)c1n[nH]c2nccc(-n3cnc(c3)-c3cnn(C)c3)c12

BDBM50582399

NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(ccnc12)-n1cnc(c1)-c1ccccc1 |(-1.67,-8.76,;-.34,-7.99,;1,-8.76,;-.34,-6.45,;-1.67,-5.69,;-1.67,-4.14,;-.34,-3.37,;.99,-4.14,;.99,-5.68,;2.32,-6.45,;3.66,-5.68,;3.66,-4.14,;4.99,-3.37,;6.32,-4.14,;7.66,-3.37,;6.32,-5.68,;4.99,-6.45,;-.34,-1.83,;1,-1.06,;.99,.48,;-.34,1.25,;-1.67,.48,;-3.01,1.25,;-4.33,.47,;-4.33,-1.05,;-3,-1.82,;-1.67,-1.06,;-3.01,2.79,;-1.88,3.82,;-2.5,5.24,;-4,5.09,;-4.34,3.56,;-5.08,6.18,;-6.57,5.78,;-7.66,6.87,;-7.26,8.36,;-5.78,8.76,;-4.68,7.68,)|

BDBM50587112

CC(C)C#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:10.9,wD:13.13,(6.49,-17.61,;7.83,-16.85,;9.16,-17.64,;7.85,-15.31,;7.86,-13.78,;7.86,-12.24,;9.2,-11.47,;9.19,-9.92,;7.86,-9.15,;7.85,-7.61,;9.19,-6.84,;9.18,-5.31,;10.52,-4.53,;11.86,-5.3,;13.19,-4.54,;11.85,-6.85,;10.53,-7.61,;6.53,-9.92,;6.53,-11.47,;5.2,-9.15,;3.86,-9.92,;5.2,-7.61,)|

BDBM50587113

CC(C)(C)C#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:11.10,wD:14.14,(18.98,-17.49,;20.32,-16.74,;21.65,-17.52,;20.32,-18.27,;20.34,-15.2,;20.35,-13.66,;20.35,-12.12,;21.69,-11.35,;21.69,-9.8,;20.35,-9.04,;20.35,-7.5,;21.68,-6.72,;21.67,-5.19,;23.01,-4.42,;24.35,-5.19,;25.68,-4.42,;24.34,-6.73,;23.02,-7.5,;19.02,-9.81,;19.02,-11.35,;17.69,-9.04,;16.35,-9.81,;17.69,-7.5,)|

BDBM50587114

CC(C)CC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:11.10,wD:14.14,(33.7,-19.29,;33.71,-17.75,;35.05,-17,;32.39,-16.97,;32.4,-15.43,;32.42,-13.9,;32.42,-12.36,;33.75,-11.58,;33.75,-10.03,;32.41,-9.27,;32.41,-7.73,;33.74,-6.96,;33.74,-5.42,;35.07,-4.65,;36.41,-5.42,;37.74,-4.65,;36.41,-6.96,;35.08,-7.73,;31.08,-10.04,;31.08,-11.59,;29.75,-9.27,;28.42,-10.04,;29.75,-7.73,)|

BDBM50587115

CCCCC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:11.10,wD:14.14,(47.16,-21.25,;45.83,-20.47,;45.85,-18.93,;44.52,-18.15,;44.53,-16.61,;44.55,-15.07,;44.55,-13.53,;45.89,-12.76,;45.88,-11.21,;44.55,-10.44,;44.54,-8.9,;45.87,-8.13,;45.87,-6.6,;47.21,-5.83,;48.54,-6.6,;49.88,-5.83,;48.54,-8.14,;47.21,-8.9,;43.22,-11.22,;43.22,-12.76,;41.88,-10.45,;40.55,-11.22,;41.88,-8.91,)|

BDBM50587116

NC(=O)c1cc(ccc1N[C@H]1CC[C@H](O)CC1)C#CCCCCl |r,wU:10.10,wD:13.14,(55.07,-9.7,;56.4,-8.93,;56.4,-7.39,;57.74,-9.7,;57.73,-11.24,;59.07,-12.01,;60.41,-11.24,;60.4,-9.69,;59.06,-8.93,;59.06,-7.39,;60.39,-6.61,;60.39,-5.08,;61.73,-4.31,;63.06,-5.08,;64.4,-4.31,;63.06,-6.62,;61.73,-7.39,;59.07,-13.55,;59.05,-15.09,;59.04,-16.63,;60.36,-17.41,;60.35,-18.95,;61.68,-19.73,)|

BDBM50587117

CC(C)CCC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:12.11,wD:15.15,(74.28,-19.33,;72.96,-18.55,;71.62,-19.3,;72.97,-17.01,;71.65,-16.22,;71.66,-14.68,;71.68,-13.15,;71.68,-11.61,;73.01,-10.84,;73.01,-9.29,;71.67,-8.52,;71.67,-6.98,;73,-6.21,;72.99,-4.68,;74.33,-3.9,;75.67,-4.67,;77,-3.91,;75.67,-6.22,;74.34,-6.98,;70.34,-9.29,;70.34,-10.84,;69.01,-8.52,;67.68,-9.29,;69.01,-6.98,)|

BDBM50587118

NC(=O)c1cc(ccc1N[C@H]1CC[C@H](O)CC1)C#CC1CC1 |r,wU:10.10,wD:13.14,(3.94,-30.24,;5.27,-29.47,;5.27,-27.93,;6.61,-30.24,;6.61,-31.78,;7.94,-32.55,;9.28,-31.78,;9.27,-30.23,;7.94,-29.47,;7.93,-27.93,;9.26,-27.15,;9.26,-25.62,;10.6,-24.85,;11.93,-25.62,;13.27,-24.85,;11.93,-27.16,;10.6,-27.93,;7.94,-34.09,;7.93,-35.63,;7.91,-37.17,;7.13,-38.5,;8.67,-38.52,)|

BDBM50587119

NC(=O)c1cc(ccc1N[C@H]1CC[C@H](O)CC1)C#CC1CCCC1 |r,wU:10.10,wD:13.14,(17.3,-30.54,;18.63,-29.77,;18.63,-28.23,;19.96,-30.54,;19.96,-32.09,;21.29,-32.86,;22.63,-32.09,;22.63,-30.54,;21.29,-29.77,;21.29,-28.23,;22.62,-27.46,;22.61,-25.92,;23.95,-25.15,;25.29,-25.92,;26.62,-25.15,;25.29,-27.46,;23.96,-28.23,;21.29,-34.4,;21.28,-35.93,;21.26,-37.47,;20.02,-38.37,;20.48,-39.84,;22.02,-39.86,;22.51,-38.4,)|

BDBM50587120

NC(=O)c1cc(ccc1N[C@H]1CC[C@H](O)CC1)C#CC1CCCCC1 |r,wU:10.10,wD:13.14,(30.64,-31.28,;31.98,-30.51,;31.97,-28.97,;33.31,-31.28,;33.31,-32.83,;34.64,-33.6,;35.98,-32.82,;35.97,-31.28,;34.64,-30.51,;34.63,-28.97,;35.96,-28.2,;35.96,-26.67,;37.3,-25.9,;38.63,-26.66,;39.97,-25.9,;38.63,-28.2,;37.3,-28.97,;34.64,-35.14,;34.62,-36.67,;34.61,-38.21,;33.27,-38.96,;33.25,-40.49,;34.58,-41.28,;35.92,-40.53,;35.94,-38.98,)|

BDBM50587121

CN(C)CC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:11.10,wD:14.14,(45.86,-40.76,;45.88,-39.22,;44.55,-38.44,;47.22,-38.46,;47.23,-36.92,;47.25,-35.39,;47.25,-33.85,;48.59,-33.07,;48.58,-31.52,;47.25,-30.76,;47.24,-29.22,;48.57,-28.45,;48.57,-26.91,;49.91,-26.14,;51.24,-26.91,;52.58,-26.14,;51.24,-28.45,;49.91,-29.22,;45.92,-31.53,;45.91,-33.08,;44.58,-30.76,;43.25,-31.53,;44.58,-29.22,)|

BDBM50587122

CCN(CC)CC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:13.12,wD:16.16,(58.29,-39.6,;59.63,-38.84,;59.64,-37.3,;58.32,-36.52,;56.98,-37.28,;60.99,-36.55,;61,-35.01,;61.01,-33.47,;61.02,-31.93,;62.35,-31.16,;62.35,-29.61,;61.01,-28.85,;61.01,-27.31,;62.34,-26.53,;62.33,-25,;63.67,-24.23,;65.01,-25,;66.34,-24.23,;65.01,-26.54,;63.68,-27.31,;59.68,-29.62,;59.68,-31.16,;58.35,-28.85,;57.02,-29.62,;58.35,-27.31,)|

BDBM50450705

CC(C)c1ccc(cc1)-c1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:17.18,wD:14.14,(9.51,-16.49,;8.17,-17.26,;6.85,-16.49,;8.17,-18.8,;9.5,-19.57,;9.5,-21.11,;8.16,-21.88,;6.83,-21.12,;6.83,-19.57,;8.16,-23.42,;6.82,-24.19,;6.82,-25.73,;8.15,-26.5,;8.15,-28.04,;6.81,-28.8,;5.48,-28.03,;4.14,-28.8,;4.14,-30.35,;2.81,-31.12,;5.48,-31.11,;6.81,-30.35,;9.49,-25.73,;9.49,-24.18,;10.82,-26.51,;12.16,-25.74,;10.82,-28.05,)|

BDBM50587123

CCCCC#Cc1ccc(NCCO)c(c1)C(N)=O

BDBM50587124

CCCCC#Cc1ccc(NCCOC)c(c1)C(N)=O

BDBM50587125

CCCCC#Cc1ccc(NCCOCC)c(c1)C(N)=O

BDBM50587126

CCCCC#Cc1ccc(NCCCO)c(c1)C(N)=O

BDBM50587127

CCCCC#Cc1ccc(NCCCOC)c(c1)C(N)=O

BDBM50587128

CCCCC#Cc1ccc(NCCCOCC)c(c1)C(N)=O

BDBM50587129

CCCCC#Cc1ccc(NCCNC(C)=O)c(c1)C(N)=O

BDBM50587130

CCCCC#Cc1ccc(NC2CCOC2)c(c1)C(N)=O

BDBM50587131

CCCCC#Cc1ccc(NCC2CCOC2)c(c1)C(N)=O

BDBM50587132

CCCCC#Cc1ccc(NC2CCOCC2)c(c1)C(N)=O

BDBM50587133

CCCCC#Cc1ccc(NCC2CCOCC2)c(c1)C(N)=O

BDBM50587134

CCCCC#Cc1ccc(NC2CCN(CC2)C(C)=O)c(c1)C(N)=O

BDBM50587135

CCCCC#Cc1ccc(NC2CCNCC2)c(c1)C(N)=O

BDBM50587136

CCCCC#Cc1ccc(NCC2CCNCC2)c(c1)C(N)=O

BDBM50587137

CCCCC#Cc1ccc(NC2CCCNC2)c(c1)C(N)=O

BDBM50587138

CCCCC#Cc1ccc(NC2CCN(CC2)C(=O)C2CC2)c(c1)C(N)=O

BDBM50587139

CCCCC#Cc1ccc(NC2CCN(CC2)C(=O)CC2CC2)c(c1)C(N)=O

BDBM50587140

CCCCC#Cc1ccc(NC2CCN(CC2)C(=O)CN(C)C)c(c1)C(N)=O

BDBM50587141

CCCCC#Cc1ccc(NC2CCN(CC2)C(=O)CN2CCOCC2)c(c1)C(N)=O

BDBM50587142

CCCCC#Cc1ccc(NC2CCN(CC2)C(=O)CCN2CCOCC2)c(c1)C(N)=O

BDBM50587143

CCCCC#Cc1ccc(NCC2CCN(CC2)C(C)=O)c(c1)C(N)=O

BDBM50587144

CCCCC#Cc1ccc(NCC2CCN(CC2)C(=O)C2CC2)c(c1)C(N)=O

BDBM50587145

CCCCC#Cc1ccc(NC2CCCN(C2)C(C)=O)c(c1)C(N)=O

BDBM50587146

CCOC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50087721

CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12

BDBM50169935

CCOc1ccccc1Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)C(=O)OC

BDBM50165286

Cc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(C)c1

BDBM50606766

CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1ccnn1C)C(N)=O

BDBM50610079

CC(O)(CCCc1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1

BDBM50610085

CC(O)(CCCc1ccc(F)cc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1

BDBM50610093

CC(O)(CC#Cc1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1

BDBM50610095

CC(O)(C\C=C\c1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1

BDBM50610096

CC(C)(O)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1

BDBM50629226

CN(C)CCOc1ccc2CN(Cc2c1)C(=O)c1ccc(O)c(Sc2ccc(C)c(C)c2)c1

BDBM50629227

CN(C)CCCOc1ccc2CN(Cc2c1)C(=O)c1ccc(O)c(Sc2ccc(C)c(C)c2)c1

BDBM50629229

Cc1ccc(Sc2cc(ccc2O)C(=O)N2Cc3ccc(OCC[N+](C)(C)C)cc3C2)cc1C

BDBM50629230

Cc1ccc(Sc2cc(ccc2O)C(=O)N2Cc3ccc(OCCC[N+](C)(C)C)cc3C2)cc1C

BDBM50649623

CCOC(=O)c1c(O)cc(O)c(Cl)c1CC(=O)Nc1cc(O)c(OC)cc1O

BDBM50013895

Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2ccccc12

BDBM50650752

O=C(c1ccc(O)c(-n2ccc3ccccc32)c1)N1Cc2ccccc2C1

BDBM50650753

O=C(c1cc(-n2ccc3ccccc32)ccc1O)N1Cc2ccccc2C1

BDBM50650754

O=C(c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O)N1Cc2ccccc2C1

BDBM50650755

O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2ccccc2C1

BDBM50650756

O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2ccc(F)cc2C1

BDBM50650757

O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2cccc(F)c2C1

BDBM50650758

O=C(c1ccc(O)c(C(=O)N2Cc3cccc(F)c3C2)c1)N1Cc2ccccc2C1

BDBM50650759

O=C(c1ccc(O)c(C(=O)N2Cc3ccc(F)cc3C2)c1)N1Cc2ccccc2C1

BDBM50650760

O=C(c1ccc(O)c(C(=O)N2Cc3ccc(F)cc3C2)c1)N1Cc2ccc(F)cc2C1

BDBM50650761

O=C(c1ccc(O)c(C(=O)N2Cc3ccc(F)cc3C2)c1)N1Cc2cccc(F)c2C1

BDBM50650762

O=C(c1ccc(O)c(C(=O)N2Cc3cccc(F)c3C2)c1)N1Cc2cccc(F)c2C1

BDBM50650763

O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2cccc(Cl)c2C1

BDBM50650764

O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2cccc(Br)c2C1

BDBM50650765

Cc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccccc4C3)c1)C2

BDBM50650766

COc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccccc4C3)c1)C2

BDBM50650767

CCOc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccccc4C3)c1)C2

BDBM50650768

COc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N3Cc4cccc(F)c4C3)ccc1O)C2

BDBM50650769

CN(C)CCOc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N3Cc4ccccc4C3)ccc1O)C2

BDBM50650770

CN(C)CCOc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N3Cc4cccc(F)c4C3)ccc1O)C2

BDBM50650771

COc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccc(OCCN(C)C)cc4C3)c1)C2

BDBM50650772

CN(C)CCCOc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N3Cc4ccccc4C3)ccc1O)C2

BDBM50650773

CN(C)CCCOc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N3Cc4cccc(F)c4C3)ccc1O)C2

BDBM50650774

COc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccc(OCCCN(C)C)cc4C3)c1)C2

BDBM50650775

O=C(c1ccc(O)c(C(=O)N2Cc3ccc(OCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3C2)c1)N1Cc2ccccc2C1

BDBM50650776

O=C(c1ccc(O)c(C(=O)N2Cc3ccc(OCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3C2)c1)N1Cc2cccc(F)c2C1

BDBM50650777

COc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccc(OCCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)cc4C3)c1)C2

BDBM50652793

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

BDBM50652792

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

BDBM50365463

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|

BDBM50366480

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM50191366

CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2[NH2+]C[C@H](O)CO |w:16.16,t:28|

BDBM50191367

CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2[NH2+]CC=C |r,w:16.16,t:28|

BDBM50191368

CO[C@H]1C[C@H](C)Cc2c([NH3+])c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |w:19.19,t:31|

BDBM50368125

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM50191365

CO[C@H]1C[C@H](C)Cc2c([NH2+]CC=C)c(O)cc3nc(oc23)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O |w:23.25,t:37|

BDBM15359

CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28|

BDBM50030868

CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |r,w:20.19,17.17,6.6,t:31|

BDBM50191364

CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NCC(=O)CO |w:16.16,t:28|

BDBM31996

CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |r,w:16.16,38.39,t:28|

BDBM20926

CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O

BDBM50401333

Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)C#CCC(C)(C)O

BDBM50378702

CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)C(F)(F)F)C(=O)C1

BDBM50439622

CC(C)(C)CNCCn1c2ccnc(c2nc1Sc3cc4c(cc3N(C)C)OCO4)N

BDBM20800

Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N

BDBM20732

CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2OC |r,w:16.16,6.6,t:28|

BDBM50439623

Nc1ncnc2n(CCCNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)c(Sc3cc4OCOc4cc3I)nc12 |(19.6,-8.98,;19.61,-10.53,;18.28,-11.3,;18.27,-12.85,;19.61,-13.62,;20.94,-12.85,;22.42,-13.33,;22.46,-14.87,;21.14,-15.68,;21.18,-17.22,;19.87,-18.02,;19.91,-19.56,;18.6,-20.37,;21.26,-20.3,;21.3,-21.84,;19.99,-22.63,;20.03,-24.17,;21.38,-24.92,;22.64,-24.21,;22.65,-22.56,;24.18,-24.21,;24.94,-22.88,;24.94,-25.54,;21.42,-26.46,;20.11,-27.26,;18.77,-26.54,;17.45,-27.34,;17.5,-28.88,;16.19,-29.69,;18.84,-29.6,;20.15,-28.8,;21.51,-29.54,;22.82,-28.71,;24.17,-29.44,;25.47,-28.63,;26.83,-29.36,;25.42,-27.09,;23.95,-26.54,;22.77,-27.18,;23.34,-12.07,;24.88,-12.07,;25.65,-10.73,;27.19,-10.74,;27.96,-9.41,;29.47,-9.09,;29.63,-7.55,;28.22,-6.92,;27.19,-8.07,;25.64,-8.07,;24.88,-9.41,;23.34,-9.41,;22.42,-10.81,;20.94,-11.3,)|

BDBM50439624

CC(C)N(CCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(24.17,-3.37,;24.17,-4.91,;25.5,-5.68,;22.84,-5.68,;21.5,-4.92,;21.5,-3.38,;20.16,-2.61,;20.16,-1.07,;21.08,.17,;22.62,.16,;23.39,1.49,;24.93,1.47,;25.71,2.81,;27.21,3.11,;27.38,4.64,;25.98,5.28,;24.95,4.14,;23.4,4.14,;22.63,2.82,;21.09,2.82,;20.17,1.42,;18.71,.95,;17.4,1.72,;17.41,3.26,;16.08,.96,;16.07,-.57,;17.39,-1.34,;18.7,-.59,;22.84,-7.22,;21.5,-8,;24.17,-7.99,;24.17,-9.53,;22.84,-10.31,;22.84,-11.85,;24.17,-12.61,;25.51,-11.84,;25.51,-10.3,;27.04,-11.84,;27.82,-13.17,;27.81,-10.5,;24.17,-14.14,;22.84,-14.92,;21.5,-14.15,;20.17,-14.93,;20.17,-16.47,;18.84,-17.24,;21.51,-17.24,;22.83,-16.47,;24.17,-17.24,;25.51,-16.46,;26.84,-17.23,;28.17,-16.46,;29.5,-17.23,;28.17,-14.92,;26.84,-14.15,;25.51,-14.92,)|

BDBM50439625

CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCCCNC(=O)Cc1ccc2N3CCC4OC5CC[N+]6=C(C5=CC4=C3C(C)(C)c2c1)C(C)(C)c1cc(ccc61)S([O-])(=O)=O |r,w:16.16,38.39,c:61,64,67,t:28|

BDBM50445478

Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)N[C@H]4CCOC4

BDBM50445479

CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |r,w:38.39,16.16,t:28|

BDBM50445480

CC1(C)Cc2c(ccn2-c2cc(F)c(C(N)=O)c(N[C@H]3CCOC3)c2)C(=O)C1 |r|

BDBM50003904

CC1(C)Cc2c(C(=O)C1)c1ncccc1n2-c1ccc(cc1)C(N)=O

BDBM50003905

CC1(C)Cc2c(C(=O)C1)c1ccncc1n2-c1ccc(cc1)C(N)=O

BDBM50003906

CC1(C)Cc2c(C(=O)C1)c1cccnc1n2-c1ccc(cc1)C(N)=O

BDBM50003907

CC1(C)Cc2c(c3CCCCc3n2-c2ccc(cc2)C(N)=O)C(=O)C1

BDBM50003908

CC1(Cc2c(c3c(n2c4ccc(cc4)C(=O)N)CN(CC3)C)C(=O)C1)C

BDBM50003902

CN1CCCC2C(C1)N(C1=C2C(=O)CC(C)(C)C1)c1ccc(cc1)C(N)=O |c:10|

BDBM50003903

CC1(C)Cc2c(c3CCNCc3n2-c2ccc(cc2)C(N)=O)C(=O)C1

BDBM50003881

CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1cc(F)c(C(N)=O)c(N[C@H]2CCOC2)c1 |r|

BDBM50003883

CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(N[C@H]2CCOC2)c1 |r|

BDBM50003884

CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NC2CCCC2)c1

BDBM50003885

CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NCC2CC2)c1

BDBM50003886

COCCNc1cc(ccc1C(N)=O)-n1c2CN(C)CCc2c2c1CC(C)(C)CC2=O

BDBM50003887

CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NC2CCSCC2)c1

BDBM50003888

CCCNc1cc(ccc1C(N)=O)-n1c2CN(C)CCc2c2c1CC(C)(C)CC2=O

BDBM50003889

CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NC2CC2)c1

BDBM50003890

CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NCC(F)F)c1

BDBM50003891

CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NCC2(C)COC2)c1

BDBM50003892

CC(C)Nc1cc(ccc1C(N)=O)-n1c2CN(C)CCc2c2c1CC(C)(C)CC2=O

BDBM50003893

CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NCC(C)(C)C)c1

BDBM50003894

CC(C)Nc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C

BDBM50003895

CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc2C(=O)NCc2c1

BDBM50003897

CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc2C(=O)NCCc2c1

BDBM50003898

CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc2c(CCCNC2=O)c1

BDBM50003899

CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(CCC2CC2)c1

BDBM50003900

CC(C)Cc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C

BDBM50003865

Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)CC(C)C)C(=O)NCC4

BDBM50003869

Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)C1CCCCC1

BDBM50003870

Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)C1CCOCC1

BDBM50003871

Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)C1CCC1

BDBM50003872

CCCCc1cc(cc2CCNC(=O)c12)-n1cc(C)c2c1CC(C)(C)CC2=O

BDBM50003873

Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)C(C)(C)C

BDBM50003875

Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc(Cc2ccccc2)c2C(=O)NCCc2c1

BDBM50003876

Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)-c1ccccc1

BDBM50003877

Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)-c1ccc(F)cc1

BDBM50003878

Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)-c1cccc(F)c1

BDBM50003880

COc1ccc(cc1)-c1cc(cc2CCNC(=O)c12)-n1cc(C)c2c1CC(C)(C)CC2=O

BDBM50051094

COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccc1

BDBM50051095

COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)NC1CCCCC1

BDBM50051096

COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccc1Cl

BDBM50051097

COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccc(Cl)c1

BDBM50051098

COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(Br)cc1

BDBM50051099

COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccn1

BDBM50051100

COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1nccs1

BDBM50051101

COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1nncs1

BDBM50165295

Nc1ncnc2n(CCCC#C)c(Sc3ccccc3Cl)nc12

BDBM50165266

COc1ccccc1Sc1nc2c(N)ncnc2n1CCCC#C

BDBM50165294

Nc1ncnc2n(CCCC#C)c(Sc3ccccc3CO)nc12

BDBM50165278

Nc1ncnc2n(CCCC#C)c(Sc3ccccc3OC(F)(F)F)nc12

BDBM50165302

COc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)cc1

BDBM50165298

Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)cc3)nc12

BDBM50165316

Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)cc3Cl)nc12

BDBM50087445

Nc1ncnc2n(CCCC#C)c(Sc3ccc(Br)cc3Cl)nc12

BDBM50165309

COc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(OC)c1

BDBM50165282

Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)ccc3Cl)nc12

BDBM50165300

Cc1ccc(C)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1

BDBM50165265

Nc1ncnc2n(CCCC#C)c(Sc3cc(ccc3Cl)C(F)(F)F)nc12

BDBM50165268

Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12

BDBM50087447

Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)cc(Br)c3)nc12

BDBM50087448

Nc1ncnc2n(CCCC#C)c(Sc3cc(Br)cc(Br)c3)nc12

BDBM50165319

Cc1cc(C)cc(Sc2nc3c(N)ncnc3n2CCCC#C)c1

BDBM50087449

Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)nc(Cl)c3)nc12

BDBM50087450

Nc1ncnc2n(CCCC#C)c(Sc3cc(cc(c3)C#N)C#N)nc12

BDBM50087451

Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)c(Cl)c3)nc12

BDBM50087452

Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)c(Cl)c3Cl)nc12

BDBM50165315

Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)c(Cl)cc3Cl)nc12

BDBM50087453

Cc1cc(c(c(c1)C)Sc2nc3c(ncnc3n2CCCC#C)N)C

BDBM50087454

Nc1ncnc2n(CCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12

BDBM50087455

Nc1ncnc2n(CCCCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12

BDBM50087461

CC#CCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12

BDBM50087502

Nc1ncnc2n(CCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12

BDBM50087504

Nc1ncnc2n(CCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12

BDBM50087505

Nc1ncnc2n(CCCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12

BDBM50087506

Nc1ncnc2n(CCCCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12

BDBM50087507

Nc1ncnc2n(CCCC#N)c(Sc3cc(Cl)cc(Cl)c3)nc12

BDBM50087508

Nc1ncnc2n(Cc3ccccc3)c(Sc3cc(Cl)cc(Cl)c3)nc12

BDBM50087509

Nc1ncnc2n(CCc3ccccc3)c(Sc3cc(Cl)cc(Cl)c3)nc12

BDBM50087511

CCCC(C)n1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12

BDBM50087519

CC(CC#C)n1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12

BDBM50087521

CCC(CC#C)n1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12

BDBM50087522

CCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12

BDBM50087523

CCCC(C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12

BDBM50087524

Nc1ncnc2n(CCC#C)c(Sc3ccc(Cl)cc3Cl)nc12

BDBM50087525

CC(CC#C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12

BDBM50087526

CCC(CC#C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12

BDBM50087527

Nc1ncnc2n(CCCC#C)c(nc12)[S+]([O-])c1ccc(Cl)cc1Cl

BDBM50087570

Nc1ncnc2n(CCCC#C)c(nc12)S(=O)(=O)c1ccc(Cl)cc1Cl

BDBM50087573

Nc1ncnc2n(CCCC#C)c(Oc3ccc(Cl)cc3Cl)nc12

BDBM50087574

Nc1ncnc2n(CCCC#C)c(Cc3ccc(Cl)cc3Cl)nc12

BDBM50087575

Nc1ncnc2n(CCCC#C)c(nc12)C(=O)c1ccc(Cl)cc1Cl

BDBM50087576

Nc1ncn(CCCC#N)c2nc(Sc3ccccc3Cl)nc12

BDBM50087577

COc1ccccc1Sc1nc2c(N)ncn(CCCC#N)c2n1

BDBM50087578

Nc1ncn(CCCC#N)c2nc(Sc3ccccc3CO)nc12

BDBM50087648

Nc1ncn(CCCC#N)c2nc(Sc3ccccc3OC(F)(F)F)nc12

BDBM50087649

Nc1ncn(CCCC#N)c2nc(Sc3ccc(Cl)cc3Cl)nc12

BDBM50087650

Cc1ccc(Sc2nc3c(N)ncn(CCCC#N)c3n2)c(C)c1

BDBM50087651

COc1ccc(Sc2nc3c(N)ncn(CCCC#N)c3n2)c(OC)c1

BDBM50087652

Nc1ncn(CCCC#N)c2nc(Sc3cc(Cl)ccc3Cl)nc12

BDBM50087662

Cc1ccc(C)c(Sc2nc3c(N)ncn(CCCC#N)c3n2)c1

BDBM50087705

Nc1ncn(CCCC#N)c2nc(Sc3cc(ccc3Cl)C(F)(F)F)nc12

BDBM50087710

Nc1ncn(CCCC#N)c2nc(Sc3cc(Cl)cc(Cl)c3)nc12

BDBM50087712

Cc1cc(C)cc(Sc2nc3c(N)ncn(CCCC#N)c3n2)c1

BDBM50087715

Nc1ncn(CCCC#N)c2nc(Sc3cc(Cl)c(Cl)cc3Cl)nc12

BDBM50087716

Cc1cc(C)c(Sc2nc3c(N)ncn(CCCC#N)c3n2)c(C)c1

BDBM50087717

CC(C)NCCCn1cnc(N)c2nc(Sc3ccc(C)cc3C)nc12

BDBM50087718

CC(C)NCCCn1cnc(N)c2nc(Sc3cc(Cl)cc(Cl)c3)nc12

BDBM50087720

CC(C)NCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12

BDBM50087723

CC(C)NCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)nccc12

BDBM50087724

CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)nccc12

BDBM50087810

CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12

BDBM50087811

CC(C)NCCCn1c(Sc2cc3OCOc3cc2N(C)C)nc2c(N)ncnc12

BDBM50169783

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(F)cc1

BDBM50169784

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)cc1

BDBM50169817

COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(cc3)Br)Cl)O)O

BDBM50169843

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1

BDBM50169864

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(cc1)C#N

BDBM50169875

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(cc1)C#C

BDBM50169876

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(OC)cc1

BDBM50169877

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc(F)c1

BDBM50169878

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1F

BDBM50169879

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1Cl

BDBM50169880

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1Br

BDBM50169881

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1C

BDBM50169926

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1OC

BDBM50169934

CCc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC

BDBM50169936

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1OC(C)C

BDBM50169939

CCCOc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC

BDBM50169941

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1C(F)(F)F

BDBM50169944

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1OC

BDBM50169703

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccoc1

BDBM50169704

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccco1

BDBM50169705

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)o1

BDBM50169706

COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(o3)Cl)Cl)O)O

BDBM50169707

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1oc(C)cc1C

BDBM50169708

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccs1

BDBM50169709

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccsc1

BDBM50169710

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)s1

BDBM50169711

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)s1

BDBM50169712

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cc(Cl)cs1

BDBM50169713

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1sccc1Cl

BDBM50169714

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccno1

BDBM50169715

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1nccs1

BDBM50169716

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1sccc1C=C

BDBM50169741

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1occc1C=C

BDBM50169753

CCc1ccsc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC

BDBM50169754

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccn1

BDBM50169781

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccnc1

BDBM50169782

COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cncnc1