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351 SMILES Strings for Angiotensin II receptor (AT-1) type-1

Compound NameSMILES String
BDBM50450370 [H][C@@]12C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C |c:14|
BDBM36645 CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50228315 CC(=O)NCSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CSCNC(C)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:54.54,31.30,7.6,wD:67.70,43.43,71.73,22.22,11.11,(7.65,-15.26,;6.59,-14.64,;5.52,-15.25,;6.6,-13.1,;7.94,-12.34,;7.94,-10.8,;9.28,-10.03,;9.29,-8.49,;10.63,-7.73,;11.96,-8.5,;11.96,-9.74,;13.3,-7.74,;13.31,-6.2,;14.65,-5.44,;14.66,-3.9,;16,-3.14,;16.01,-1.59,;17.08,-.98,;14.94,-.97,;14.63,-8.52,;15.97,-7.75,;15.97,-6.52,;17.3,-8.53,;17.29,-9.76,;18.64,-7.76,;19.97,-8.54,;19.96,-9.57,;21.04,-7.93,;7.96,-7.71,;7.07,-8.22,;7.97,-6.17,;6.64,-5.39,;5.3,-6.16,;5.3,-7.7,;3.96,-8.46,;3.94,-10,;5.27,-10.78,;5.27,-12.01,;6.61,-10.01,;6.63,-8.47,;6.65,-3.85,;5.59,-3.23,;7.99,-3.09,;8,-1.54,;6.66,-.77,;5.33,-1.54,;4,-.76,;2.66,-1.53,;1.33,-.75,;1.33,.48,;.26,-1.36,;9.34,-.78,;10.4,-1.4,;9.35,.76,;10.68,1.52,;10.69,3.06,;9.36,3.84,;9.23,5.36,;7.72,5.68,;6.95,4.35,;7.97,3.21,;12.02,.75,;12.01,-.48,;13.35,1.51,;14.74,.87,;15.77,2.01,;15.01,3.35,;13.5,3.03,;12.35,4.06,;11.19,3.67,;12.67,5.56,;11.52,6.59,;11.83,8.1,;10.69,9.12,;11,10.63,;9.85,11.66,;8.38,11.17,;8.07,9.66,;9.22,8.64,;10.06,6.11,;9.8,4.9,;9.14,6.93,)|
BDBM50228335 CC1(C)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:42.44,59.63,46.47,6.6,wD:63.66,30.30,21.21,10.10,(2.55,2.37,;2.49,1.14,;3.45,.38,;1.48,2.3,;,2.73,;-1.48,2.3,;-2.49,1.14,;-3.89,1.78,;-4.04,3.32,;-3.03,4.03,;-5.44,3.96,;-6.69,3.07,;-8.09,3.72,;-9.35,2.83,;-10.75,3.47,;-12.01,2.58,;-13.13,3.1,;-11.9,1.36,;-5.58,5.49,;-6.98,6.13,;-7.98,5.42,;-7.12,7.67,;-6.12,8.38,;-8.53,8.31,;-8.67,9.84,;-7.67,10.56,;-9.79,10.36,;-2.71,-.39,;-3.93,-.56,;-2.07,-1.79,;-.77,-2.62,;-1.21,-4.1,;-2.71,-4.47,;-3.77,-3.35,;-5.27,-3.7,;-5.71,-5.18,;-6.9,-5.47,;-4.65,-6.3,;-3.15,-5.94,;.77,-2.62,;1.12,-3.8,;2.06,-1.79,;2.7,-.39,;4.23,-.6,;4.7,-1.75,;5.18,.61,;6.71,.39,;7.66,1.6,;7.09,3.03,;7.91,4.32,;6.93,5.5,;5.5,4.92,;5.6,3.39,;7.29,-1.04,;6.53,-2.01,;8.82,-1.25,;9.86,-.14,;11.25,-.81,;11.04,-2.34,;9.52,-2.61,;8.83,-3.98,;9.51,-5.01,;7.3,-4.08,;6.61,-5.46,;5.07,-5.56,;4.38,-6.93,;2.85,-7.03,;2.16,-8.41,;3.02,-9.7,;4.56,-9.6,;5.24,-8.22,;7.46,-6.75,;8.69,-6.67,;6.91,-7.85,)|
BDBM50228310 CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:58.61,45.45,39.39,27.26,18.18,7.7,wD:3.3,62.64,(-2.42,-5.99,;-1.35,-5.38,;-.29,-6,;-1.34,-3.84,;-2.68,-3.06,;-4.01,-3.83,;-4.02,-5.06,;-5.35,-3.05,;-5.34,-1.51,;-6.67,-.74,;-6.67,.8,;-8,1.57,;-8,3.11,;-9.06,3.73,;-6.93,3.73,;-6.68,-3.82,;-8.01,-3.05,;-8.01,-1.81,;-9.35,-3.81,;-9.35,-5.04,;-10.68,-3.04,;-12.02,-3.8,;-12.02,-5.03,;-13.08,-3.18,;-.01,-3.07,;-0,-1.84,;1.33,-3.85,;2.66,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.66,-.78,;6.67,.76,;7.74,1.37,;5.34,1.54,;4,.77,;4,-3.85,;5.06,-3.24,;3.99,-5.39,;5.33,-6.17,;6.66,-5.4,;6.66,-4.17,;5.33,-7.71,;4.26,-8.32,;6.66,-8.48,;6.66,-10.02,;7.99,-10.8,;9.33,-10.03,;10.71,-10.67,;11.74,-9.53,;10.97,-8.19,;9.47,-8.51,;5.32,-10.79,;4.25,-10.18,;5.32,-12.34,;6.57,-13.21,;6.1,-14.68,;4.56,-14.69,;4.08,-13.22,;2.62,-12.73,;1.69,-13.55,;2.31,-11.22,;.85,-10.74,;.53,-9.23,;-.92,-8.74,;-1.24,-7.23,;-2.7,-6.75,;-3.85,-7.77,;-3.54,-9.28,;-2.07,-9.76,;-.31,-11.76,;-.06,-12.96,;-1.48,-11.37,)|
BDBM50228309 N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:58.62,45.46,9.8,30.30,1.0,wD:26.43,20.19,62.65,(5.51,9.04,;6.57,8.43,;7.91,9.21,;7.91,10.75,;6.84,11.36,;8.97,11.36,;6.57,6.89,;7.64,6.28,;5.24,6.12,;5.24,4.58,;6.58,3.82,;7.91,4.59,;9.25,3.82,;10.58,4.59,;11.92,3.83,;12.99,4.45,;11.93,2.6,;3.91,3.81,;2.84,4.42,;3.91,2.27,;2.58,1.49,;1.48,2.58,;,2.98,;-1.49,2.58,;-2.58,1.49,;-2.98,,;-2.58,-1.48,;-1.49,-2.58,;,-2.97,;,-4.21,;1.48,-2.58,;2.26,-3.92,;1.48,-5.25,;2.25,-6.59,;1.48,-7.92,;-.06,-7.91,;-.68,-8.98,;-.83,-6.57,;-.06,-5.24,;2.58,-1.48,;2.97,,;4.21,,;-3.92,-2.26,;-4.99,-1.65,;-3.91,-3.8,;-5.25,-4.58,;-5.24,-6.12,;-3.91,-6.89,;-3.76,-8.41,;-2.26,-8.72,;-1.49,-7.39,;-2.52,-6.25,;-6.58,-3.81,;-6.59,-2.58,;-7.91,-4.59,;-8.05,-6.1,;-9.55,-6.43,;-10.33,-5.1,;-9.3,-3.96,;-9.62,-2.45,;-10.79,-2.06,;-8.47,-1.42,;-8.78,.09,;-7.63,1.11,;-7.94,2.62,;-6.8,3.65,;-7.11,5.15,;-8.58,5.63,;-9.72,4.6,;-9.41,3.1,;-10.25,.57,;-11.16,-.25,;-10.49,1.78,)|
BDBM50228194 CC(=O)NCSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:54.54,43.43,31.30,7.6,wD:67.70,71.73,22.22,11.11,(7.65,-15.26,;6.59,-14.64,;5.52,-15.25,;6.6,-13.1,;7.94,-12.34,;7.94,-10.8,;9.28,-10.03,;9.29,-8.49,;10.63,-7.73,;11.96,-8.5,;11.96,-9.74,;13.3,-7.74,;13.31,-6.2,;14.65,-5.44,;14.66,-3.9,;16,-3.14,;16.01,-1.59,;17.08,-.98,;14.94,-.97,;14.63,-8.52,;15.97,-7.75,;15.97,-6.52,;17.3,-8.53,;17.29,-9.76,;18.64,-7.76,;19.97,-8.54,;19.96,-9.57,;21.04,-7.93,;7.96,-7.71,;7.07,-8.22,;7.97,-6.17,;6.64,-5.39,;5.3,-6.16,;5.3,-7.7,;3.96,-8.46,;3.94,-10,;5.27,-10.78,;5.27,-12.01,;6.61,-10.01,;6.63,-8.47,;6.65,-3.85,;5.59,-3.23,;7.99,-3.09,;8,-1.54,;6.66,-.77,;5.33,-1.54,;4,-.76,;2.66,-1.53,;1.33,-.75,;1.33,.48,;.26,-1.36,;9.34,-.78,;10.4,-1.4,;9.35,.76,;10.68,1.52,;10.69,3.06,;9.36,3.84,;9.23,5.36,;7.72,5.68,;6.95,4.35,;7.97,3.21,;12.02,.75,;12.01,-.48,;13.35,1.51,;14.74,.87,;15.77,2.01,;15.01,3.35,;13.5,3.03,;12.35,4.06,;11.19,3.67,;12.67,5.56,;11.52,6.59,;11.83,8.1,;10.69,9.12,;11,10.63,;9.85,11.66,;8.38,11.17,;8.07,9.66,;9.22,8.64,;10.06,6.11,;9.8,4.9,;9.14,6.93,)|
BDBM50228195 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50228197 N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:57.61,25.42,44.45,9.8,29.29,1.0,wD:20.19,61.64,(6.12,8.38,;7.12,7.67,;8.53,8.31,;8.67,9.85,;7.67,10.56,;9.79,10.36,;6.98,6.14,;7.98,5.42,;5.58,5.49,;5.44,3.96,;6.7,3.07,;8.1,3.72,;9.35,2.83,;10.75,3.47,;12.01,2.58,;13.13,3.1,;11.9,1.36,;4.03,3.32,;3.03,4.03,;3.89,1.78,;2.49,1.14,;1.48,2.3,;,2.73,;-1.48,2.3,;-2.49,1.14,;-2.71,-.39,;-2.07,-1.79,;-.77,-2.62,;-1.12,-3.8,;.77,-2.62,;1.2,-4.11,;.14,-5.22,;.56,-6.7,;-.5,-7.81,;-2,-7.45,;-2.85,-8.33,;-2.43,-5.96,;-1.36,-4.85,;2.06,-1.79,;2.7,-.39,;3.92,-.56,;-4.24,-.61,;-5,.36,;-4.81,-2.04,;-6.33,-2.26,;-6.9,-3.7,;-5.95,-4.91,;-6.38,-6.37,;-5.1,-7.23,;-3.89,-6.27,;-4.43,-4.83,;-7.29,-1.06,;-6.83,.09,;-8.81,-1.28,;-9.5,-2.64,;-11.02,-2.39,;-11.25,-.86,;-9.87,-.18,;-9.6,1.33,;-10.54,2.13,;-8.15,1.86,;-7.88,3.38,;-6.44,3.91,;-6.17,5.42,;-4.72,5.95,;-4.45,7.46,;-5.64,8.45,;-7.08,7.92,;-7.35,6.41,;-9.06,4.37,;-10.22,3.96,;-8.84,5.58,)|
BDBM50228271 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:63.65,8.8,20.21,2.2,wD:59.62,4.4,46.46,37.38,26.27,(3.98,-9.71,;3.98,-8.48,;5.32,-7.71,;6.38,-8.33,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.34,.77,;-2.4,1.39,;-1.34,-.77,;,-1.54,;1.33,-3.86,;1.33,-5.4,;2.4,-6.01,;-.01,-6.17,;-1.34,-5.4,;-2.41,-6.02,;-.01,-7.71,;-1.34,-8.48,;-2.41,-7.86,;-1.34,-10.02,;-.01,-10.79,;-.01,-12.34,;1.32,-13.11,;1.32,-14.65,;2.65,-15.42,;2.65,-16.65,;3.72,-14.81,;-2.68,-10.79,;-2.68,-12.33,;-1.61,-12.95,;-4.01,-13.1,;-5.08,-12.49,;-4.01,-14.64,;-5.34,-15.42,;-6.41,-14.8,;-5.35,-16.65,;6.66,-5.4,;6.67,-4.17,;8,-6.18,;9.33,-5.41,;10.67,-6.18,;10.67,-7.72,;11.91,-8.61,;11.43,-10.08,;9.89,-10.07,;9.42,-8.61,;9.34,-3.87,;8.28,-3.25,;10.68,-3.1,;12.06,-3.75,;13.1,-2.61,;12.34,-1.27,;10.83,-1.58,;9.68,-.56,;9.93,.65,;8.22,-1.04,;7.07,-.01,;5.61,-.49,;4.45,.53,;2.99,.06,;1.84,1.08,;2.16,2.59,;3.62,3.07,;4.77,2.04,;7.38,1.5,;8.55,1.88,;6.46,2.32,)|
BDBM50228305 CC(=O)NCSC[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:67.70,54.54,71.73,22.22,43.44,11.11,wD:31.31,7.6,(9.09,5.53,;8.03,6.14,;8.03,7.37,;6.69,5.38,;6.69,3.84,;5.36,3.07,;5.35,1.53,;4.01,.77,;2.68,1.54,;1.34,.77,;1.34,-.46,;.01,1.54,;.01,3.08,;-1.32,3.86,;-1.32,5.39,;-2.66,6.16,;-2.66,7.7,;-3.72,8.32,;-1.59,8.32,;-1.33,.78,;-2.66,1.55,;-2.66,2.78,;-4,.78,;-4,-.45,;-5.33,1.56,;-6.66,.79,;-6.66,-.44,;-7.73,1.41,;4,-.77,;5.07,-1.39,;2.67,-1.54,;2.66,-3.08,;1.33,-3.85,;-.01,-3.08,;-1.34,-3.84,;-2.67,-3.07,;-2.67,-1.53,;-3.73,-.91,;-1.33,-.76,;,-1.54,;4,-3.85,;5.06,-3.24,;3.99,-5.39,;5.33,-6.17,;6.66,-5.4,;6.66,-3.86,;8,-3.08,;8,-1.54,;9.33,-.77,;10.39,-1.39,;9.33,.46,;5.33,-7.71,;4.26,-8.32,;6.66,-8.48,;6.66,-10.02,;7.99,-10.8,;9.33,-10.03,;10.71,-10.67,;11.74,-9.52,;10.97,-8.19,;9.47,-8.51,;5.32,-10.79,;4.25,-10.18,;5.32,-12.34,;6.57,-13.21,;6.1,-14.68,;4.56,-14.69,;4.08,-13.22,;2.62,-12.73,;2.37,-11.52,;1.46,-13.75,;,-13.27,;-1.15,-14.29,;-2.61,-13.8,;-3.77,-14.82,;-5.23,-14.33,;-5.54,-12.82,;-4.38,-11.8,;-2.92,-12.29,;-.31,-11.76,;.61,-10.94,;-1.48,-11.37,)|
BDBM50228308 CC1(C)SSC(C)(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:44.46,8.8,61.65,48.49,wD:65.68,32.32,23.23,12.12,(2.55,2.37,;2.49,1.14,;3.45,.38,;1.48,2.3,;,2.73,;-1.48,2.3,;-2.71,2.19,;-.86,3.37,;-2.49,1.14,;-3.89,1.78,;-4.04,3.32,;-3.03,4.03,;-5.44,3.96,;-6.7,3.07,;-8.09,3.72,;-9.35,2.83,;-10.75,3.47,;-12.01,2.58,;-13.13,3.1,;-11.9,1.36,;-5.58,5.49,;-6.98,6.14,;-7.98,5.42,;-7.12,7.67,;-6.12,8.38,;-8.53,8.31,;-8.67,9.84,;-7.67,10.56,;-9.79,10.36,;-2.71,-.39,;-3.93,-.56,;-2.07,-1.79,;-.77,-2.62,;-1.21,-4.1,;-2.71,-4.47,;-3.77,-3.35,;-5.27,-3.7,;-5.71,-5.18,;-6.9,-5.47,;-4.65,-6.3,;-3.15,-5.94,;.77,-2.62,;1.12,-3.8,;2.06,-1.79,;2.7,-.39,;4.24,-.6,;4.7,-1.75,;5.19,.61,;6.71,.39,;7.66,1.6,;7.09,3.03,;7.91,4.32,;6.93,5.5,;5.5,4.92,;5.6,3.39,;7.29,-1.04,;6.53,-2.01,;8.82,-1.25,;9.86,-.14,;11.25,-.81,;11.04,-2.34,;9.52,-2.61,;8.83,-3.98,;9.52,-5.01,;7.3,-4.08,;6.61,-5.46,;5.07,-5.56,;4.39,-6.94,;2.85,-7.03,;2.16,-8.42,;3.02,-9.7,;4.56,-9.6,;5.24,-8.22,;7.46,-6.75,;8.69,-6.67,;6.91,-7.85,)|
BDBM50228196 N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:57.61,44.45,9.8,29.29,1.0,wD:25.42,20.19,61.64,(6.12,8.38,;7.12,7.67,;8.53,8.31,;8.67,9.85,;7.67,10.56,;9.79,10.36,;6.98,6.14,;7.98,5.42,;5.58,5.49,;5.44,3.96,;6.7,3.07,;8.1,3.72,;9.35,2.83,;10.75,3.47,;12.01,2.58,;13.13,3.1,;11.9,1.36,;4.03,3.32,;3.03,4.03,;3.89,1.78,;2.49,1.14,;1.48,2.3,;,2.73,;-1.48,2.3,;-2.49,1.14,;-2.71,-.39,;-2.07,-1.79,;-.77,-2.62,;-1.12,-3.8,;.77,-2.62,;1.2,-4.11,;.14,-5.22,;.56,-6.7,;-.5,-7.81,;-2,-7.45,;-2.85,-8.33,;-2.43,-5.96,;-1.36,-4.85,;2.06,-1.79,;2.7,-.39,;3.92,-.56,;-4.24,-.61,;-5,.36,;-4.81,-2.04,;-6.33,-2.26,;-6.9,-3.7,;-5.95,-4.91,;-6.38,-6.37,;-5.1,-7.23,;-3.89,-6.27,;-4.43,-4.83,;-7.29,-1.06,;-6.83,.09,;-8.81,-1.28,;-9.5,-2.64,;-11.02,-2.39,;-11.25,-.86,;-9.87,-.18,;-9.6,1.33,;-10.54,2.13,;-8.15,1.86,;-7.88,3.38,;-6.44,3.91,;-6.17,5.42,;-4.72,5.95,;-4.45,7.46,;-5.64,8.45,;-7.08,7.92,;-7.35,6.41,;-9.06,4.37,;-10.22,3.96,;-8.84,5.58,)|
BDBM82428 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(F)(F)C(F)(F)F
BDBM82258 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50009338 CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)|
BDBM50010361 Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N
BDBM50452851 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCSSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |wU:8.7,4.4,15.16,53.55,2.1,wD:32.34,25.26,36.38,(-13.57,-1.73,;-12.05,-1.44,;-11.05,-2.61,;-11.56,-4.06,;-9.54,-2.32,;-8.53,-3.49,;-7.02,-3.2,;-6.51,-1.75,;-6.01,-4.37,;-6.36,-5.86,;-5.05,-6.66,;-3.88,-5.66,;-4.48,-4.24,;-3.68,-2.92,;-4.42,-1.57,;-2.14,-2.95,;-1.02,-4.01,;-1.37,-5.51,;-.36,-6.68,;-1.16,-7.99,;-2.66,-7.64,;-2.79,-6.1,;-1.34,-1.64,;.2,-1.67,;.94,-3.02,;1,-.35,;.23,.98,;1,2.31,;.23,3.65,;1,4.98,;2.54,4.98,;3.31,3.65,;4.85,3.65,;5.62,4.98,;7.16,4.98,;7.93,3.65,;7.93,6.31,;7.16,7.65,;7.93,8.98,;7.16,10.31,;7.93,11.65,;7.16,12.98,;7.93,14.32,;5.62,12.98,;9.47,6.31,;10.24,7.65,;9.47,8.98,;11.78,7.65,;12.55,8.98,;14.09,8.98,;5.62,2.31,;7.16,2.35,;4.84,.82,;5.16,-.69,;6.57,-1.31,;6.73,-2.85,;8.14,-3.47,;8.3,-5,;7.05,-5.91,;7.21,-7.44,;5.64,-5.28,;5.48,-3.75,;3.83,-1.46,;3.67,-2.99,;2.68,-.43,;-9.03,-.87,;-7.51,-.58,;-10.03,.3,)|
BDBM50032351 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(Cl)c1
BDBM50032362 CCCc1nc(CC)c(C(=O)OC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50032364 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(C)=O)c(F)c1
BDBM50031491 CCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(SC)c2C(O)=O)cc1
BDBM50031530 CCCCc1nc(SC)c(C([O-])=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC
BDBM50031537 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC
BDBM50030732 CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50043028 Cc1cccc2CN(C(Cc12)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
BDBM50043029 CN(C(=O)N1Cc2ccc(Oc3ccccc3)cc2CC1C(O)=O)c1ccccc1
BDBM50043030 OC(=O)C1Cc2ccccc2CN1C(=O)C(c1ccccc1)c1ccccc1
BDBM50043031 COC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)cccc2-c1ccc(OC)cc1
BDBM50043032 OC(=O)C1Cc2c(Cc3ccccc3)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1
BDBM50043033 OC(=O)C1Cc2cc(Oc3ccccc3)ccc2CN1C(=O)C(c1ccccc1)c1ccccc1
BDBM50043034 OC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)cccc2-c1ccccc1
BDBM50043035 CCCCCc1cccc2CN(C(Cc12)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
BDBM50043036 COc1ccc(Cc2cccc3CN(C(Cc23)C(O)=O)C(=O)N(C)c2ccccc2)cc1
BDBM50043037 COC(=O)C1Cc2c(C)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1
BDBM50043038 COc1ccc(cc1C)-c1cccc2CN(C(Cc12)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
BDBM50043039 COc1ccc(Cc2cccc3CN(C(Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
BDBM50043040 COC(=O)C1Cc2c(Cc3ccc(OC)cc3)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1
BDBM50043041 COc1ccc(Cc2cccc3CN(C(Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1
BDBM50043042 COc1ccc(cc1)-c1cccc2CN(C(Cc12)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
BDBM50043043 OC(=O)C1Cc2cc(O)ccc2CN1C(=O)C(c1ccccc1)c1ccccc1
BDBM50043044 COc1ccc(Cc2cccc3CN(C(Cc23)C(O)=O)C(=O)N(c2ccccc2)c2ccccc2)cc1
BDBM50043045 COC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)cccc2-c1ccccc1
BDBM50043046 OC(=O)C1Cc2cc(ccc2CN1C(=O)C(c1ccccc1)c1ccccc1)-c1ccccc1
BDBM50043047 COC(=O)C1Cc2c(Cc3ccccc3)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1
BDBM50049179 CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
BDBM50049196 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1Br)-c1ccccc1-c1nnn[nH]1)C(F)(F)C(F)(F)F
BDBM50049204 CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
BDBM50048112 NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048113 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048114 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048115 CNCC(=O)N[C@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)SS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50048116 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048117 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50048118 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048119 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048120 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048121 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048122 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS[C@H]1C[C@H](N(C1)C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048123 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSS[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048124 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSS[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048125 NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048127 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O
BDBM50048132 CNCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50117910 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4|
BDBM50125339 CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125340 CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125341 CCCc1nc2CCCCC(=O)c2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125342 CCCc1nc(CC)c(C(=O)N(C)C)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125343 CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125344 CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125345 CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125346 CCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125347 CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CO)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125348 CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125349 CCCc1nc(Cl)c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125350 CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125351 CCCc1nc(Cl)c(C(C)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125352 CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125353 CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(Cl)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125354 CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CC#N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125355 CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(F)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125356 CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COCCF)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125357 CCCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125358 CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125359 CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125360 CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125361 CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50125362 CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(CC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
BDBM50283010 CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1Br)-c1ccccc1-c1nnn[nH]1
BDBM50283011 CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1C)-c1ccccc1-c1nnn[nH]1
BDBM50283012 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(c1)[N+]([O-])=O
BDBM50283013 CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1Cl)-c1ccccc1-c1nnn[nH]1
BDBM50283300 CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283301 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CC)nc3ccc(NC(=O)N4CCOCC4)cc3c2=O)c(F)c1
BDBM50283302 CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283303 CN(C)C(=O)Nc1ccc2nc(C)n(Cc3ccc(cc3F)-c3ccccc3S(=O)(=O)NC(=O)OCCC3CC3)c(=O)c2c1
BDBM50283304 CC(C)CCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)nc3ccc(NC(=O)N(C)C(C)C)cc3c2=O)c(F)c1
BDBM50283305 CCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccc(CC)cc1F
BDBM50283306 CC(C)CCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)nc3ccc(NC(=O)NC(C)C)cc3c2=O)c(F)c1
BDBM50283307 CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)COCC(C)C
BDBM50283308 [#6]-[#6]-c1nc2ccc(-[#7]-[#6](=O)-[#7](-[#6])-[#6](-[#6])-[#6])cc2c(=O)n1-[#6]-c1ccc(cc1F)-c1ccccc1S(=O)(=O)[#7]-[#6](=O)-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50283309 CCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
BDBM50283310 CCc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CC)nc3ccc(NC(=O)N(C)C(C)C)cc3c2=O)c(F)c1
BDBM50283311 CCc1nc2ccc(NC(=O)c3ccccn3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283312 CCc1ccc(C(=O)NS(=O)(=O)c2ccccc2-c2ccc(Cn3c(CC)nc4ccc(NC(=O)NC(C)C)cc4c3=O)c(F)c2)c(F)c1
BDBM50283313 CCNC(=O)Nc1ccc2nc(CC)n(Cc3ccc(cc3F)-c3ccccc3S(=O)(=O)NC(=O)c3ccccc3F)c(=O)c2c1
BDBM50283314 CCc1nc2ccc(NC(=O)N3CCOCC3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283315 CCNC(=O)Nc1ccc2nc(CC)n(Cc3ccc(cc3F)-c3ccccc3S(=O)(=O)NC(=O)OCCC3CC3)c(=O)c2c1
BDBM50283316 CCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)COCC(C)C
BDBM50283317 CCCc1nc2ccc(NC(=O)N3CCOCC3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283318 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccc(NC(=O)N(C)C(C)C)cc3c2=O)c(F)c1
BDBM50283319 CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
BDBM50284641 COC(=O)c1ccc(CN(C(=O)c2ccccc2)c2ccc3ncn(Cc4ccc(cc4)-c4ccccc4-c4nnnn4C)c(=O)c3c2)cc1
BDBM50284642 Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2cccnc2)C(=O)c2ccccc2)cc1
BDBM50284645 Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccccc2)C(=O)c2ccccc2)cc1
BDBM50282999 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(C)=O)c(Cl)c1
BDBM50283000 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C=O)c(F)c1
BDBM50283758 CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
BDBM50283001 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C=O)cc1
BDBM50283002 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(F)c1
BDBM50283003 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(C)=O)c(C)c1
BDBM50283004 CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1F)-c1ccccc1-c1nnn[nH]1
BDBM50283005 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(Br)c1
BDBM50283763 CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
BDBM50283006 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)cc1
BDBM50283007 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(C)c1
BDBM50283008 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(C)=O)cc1
BDBM50283009 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C=O)c(C)c1
BDBM50284649 CCCCCN(C(=O)c1ccc(O)cc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1
BDBM50284650 Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccccn2)C(=O)c2ccco2)cc1
BDBM50284654 Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccccn2)C(=O)c2ccncc2)cc1
BDBM50284655 Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccc(O)cc2)C(=O)c2ccccc2)cc1
BDBM50284661 Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccccn2)C(=O)c2ccccc2)cc1
BDBM50284662 CCCCN(C(=O)c1ccc(OP([O-])([O-])=O)cc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1
BDBM50284663 CCCCN(C(=O)c1ccc(O)cc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1
BDBM50285811 CCCCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
BDBM50285812 CCCCc1nc2ccn(C(C(=O)C(C)(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285813 CCCCc1nc2ccn(C(C(=O)OC)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285814 CCCCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285815 CCCCCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285816 CCCCc1nc2ccn(C(C(=O)N(CC)CC)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285817 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccn(C(C(=O)OC(C)C)c4ccccc4)c(=O)c23)cc1
BDBM50285818 CCCCc1nc2ccn(C(C(=O)N3CCOCC3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285819 CCCCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3Cl)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285820 CCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285821 CCCCc1nc2ccn(C(C(C)=O)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285822 CCCCc1nc2ccn(C(C(=O)OCC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285823 CCCCc1nc2ccn(C(C(=O)OC(C)C)c3cccc(Cl)c3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285824 CCCCc1nc2ccn(C(C(=O)OC3CCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285825 CCCCc1nc2ccn(C(C(=O)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285826 CCCCc1nc2ccn(C(C(=O)NC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50287289 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)c2ccccc2Cl)s1 |w:24.27|
BDBM50287291 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)c2ccccc2C(O)=O)s1 |w:24.27|
BDBM50287293 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)c2ccccc2)s1 |w:24.27|
BDBM50285827 CCCCc1nc2ccn(C(C(O)=O)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285828 CCCCCOC(=O)C(c1ccccc1)n1ccc2nc(CCCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1=O
BDBM50285829 CCCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285831 CCCCc1nc2ccn(C(C(=O)N(C)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285832 CCCCc1nc2ccn(C(C(N)=O)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285833 CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1
BDBM50285834 CCCCc1nc2ccn(C(C(=O)N(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285835 CCCCc1nc2ccn(C(C(=O)N3CCCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50285836 CCCCc1nc2ccn(C(C(=O)OC(C)C)c3ccc(Cl)cc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50213461 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccc2OCOc2c1
BDBM50213460 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccc2ccccc2c1
BDBM50213695 CCCCc1nc(SC)c(C(=O)C[S+]([O-])c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213681 CCCc1nc(SC)c(C(=O)CS(=O)(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213594 CCCc1nc(SC)c(C(=O)CC#N)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213679 CCCc1nc(SC)c(C(=O)CSc2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213680 CCCCc1nc(SC)c(C(=O)CC(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213682 CCCCc1nc(SC)c(C(=O)C[S+](C)[O-])n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213684 CCCCc1nc(SC)c(C(=O)C(CCC)S(=O)(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213687 CCCc1nc(SC)c(C(=O)C[S+]([O-])c2ccc(C)cc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285752 CCCCCCC(O)(C(O)=O)c1c(SC)nc(CCC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285753 CCCCc1nc(SC)c(C(C)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213688 CCCc1nc(SC)c(C(C)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213697 CCc1nc(SC)c(C(=O)C[S+]([O-])c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213778 CCCc1nc(SC)c(C(=O)C[S+]([O-])c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1
BDBM50285754 CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(C(O)=O)c1ccccc1
BDBM50285755 CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1)C(C)(O)C(O)=O
BDBM50285756 CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC)C(C)(O)C(O)=O
BDBM50285757 CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(C(C)C)C(O)=O
BDBM50285758 CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(CC)C(O)=O
BDBM50285759 CCCc1nc(SC)c(C(O)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285760 CCCCc1nc(SC)c(C(O)CC(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285761 CCCCc1nc(SC)c(C(=O)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285762 CCCCC(O)(C(O)=O)c1c(SC)nc(CCC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285763 CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(Cc1ccccc1)C(O)=O
BDBM50285764 CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1)C(O)(C(O)=O)C(F)(F)F
BDBM50285765 CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(C=C)C(O)=O
BDBM50285766 CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(C)(O)C(O)=O
BDBM50285767 CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(C(O)=O)C(F)(F)F
BDBM50285768 CCCCc1nc(SC)c(C(O)n2cnnn2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285769 CCCCc1nc(SC)c(C(=O)n2cnnn2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285770 CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(C)(O)C(O)=O
BDBM50285771 CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC)C(C)(O)C(=O)OCC
BDBM50406795 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1
BDBM50030815 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(O)=O |wU:8.7,25.27,wD:41.44,4.4,15.16,29.31,45.48,2.2,62.65,(8.44,-18.06,;9.36,-17.24,;9.05,-15.73,;7.88,-15.34,;10.19,-14.7,;9.88,-13.19,;11.03,-12.16,;12.2,-12.55,;10.71,-10.66,;11.74,-9.51,;10.97,-8.18,;9.46,-8.5,;9.33,-10.02,;7.99,-10.79,;7.99,-12.02,;6.66,-10.02,;5.32,-10.79,;5.32,-12.33,;4.07,-13.22,;4.55,-14.68,;6.09,-14.68,;6.56,-13.21,;6.66,-8.48,;5.33,-7.71,;4.43,-8.22,;5.33,-6.17,;3.99,-5.39,;4,-3.85,;5.06,-3.24,;2.66,-3.08,;1.33,-3.85,;-.01,-3.08,;-1.34,-3.84,;-2.67,-3.07,;-2.67,-1.53,;-3.73,-.91,;-1.33,-.76,;,-1.54,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4.01,.77,;5.35,1.53,;5.36,3.07,;4.29,3.69,;6.69,3.84,;6.7,5.37,;8.04,6.14,;8.04,7.68,;9.38,8.44,;9.39,9.99,;10.45,10.6,;8.32,10.61,;8.03,3.06,;8.02,1.52,;6.94,.91,;9.35,.74,;9.34,-.8,;10.22,-1.32,;2.68,1.54,;1.61,.93,;2.69,2.78,;6.66,-5.4,;7.73,-6.01,;6.66,-3.86,;7.73,-3.24,;11.66,-15.17,;11.91,-16.38,;12.58,-14.35,)|
BDBM50212950 CCc1nc2CCCC\C(=C/C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213043 CCCCc1ccc(CNS(=O)(=O)C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213044 CCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213045 CCCCc1ccc(C#N)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213046 CCCCc1ccc(CNC(=O)CCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213047 CCCCc1ccc(CNC(=O)NC2CCCCC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213048 CCCCc1ccc(CNC(=O)Nc2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213455 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Nc1ccccc1
BDBM50213456 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCC1
BDBM50213457 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1
BDBM50213458 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccc(F)cc1
BDBM50213459 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Nc1ccc(C)cc1
BDBM50213488 CCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1
BDBM50213489 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCCc1ccccc1
BDBM50213499 CCCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1
BDBM50213500 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1cccs1
BDBM50213504 CCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213505 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CC1CCCCC1
BDBM50213551 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCc1cccs1
BDBM50213552 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCc1ccccc1
BDBM50213554 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213555 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NC(c1ccccc1)c1ccccc1
BDBM50213556 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NC
BDBM50213557 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC
BDBM50213560 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1
BDBM50213561 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1cccs1
BDBM50213562 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C(C)c1ccccc1
BDBM50213564 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1
BDBM50213567 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1
BDBM50213568 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1Cl
BDBM50213569 CCCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc(SC)c2C(O)=O)cc1
BDBM50213583 CCCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCC
BDBM50213591 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213592 CCCCc1nc(SC)c(C(=O)CS(=O)(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213779 CCCc1nc(SC)c(C(=O)C[S+]([O-])c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1cccs1
BDBM50213780 CCCc1nc(SC)c(C(=O)C[S+]([O-])c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCC1
BDBM50213781 CCCCc1nc(SC)c(C(=O)CC(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213782 CCCc1nc(SC)c(C(=O)C[S+]([O-])c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213783 CCCc1nc(SC)c(C(=O)CS(=O)(=O)c2ccc(OC)cc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50212602 CCCSC1=Nc2ccccc2S(=O)(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:4|
BDBM50212594 CCSC1=NS(=O)(=O)c2cc(C)cnc2N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:3|
BDBM50213041 CCCCc1ccc(CNC(C)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213042 CCCCc1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50212595 CCCSC1=NS(=O)(=O)c2ccc(cc2N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)=O |t:4|
BDBM50212596 CCCSC1=NS(=O)(=O)c2cc(C)cnc2N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:4|
BDBM50212597 CCCSC1=NS(=O)(=O)c2ccccc2N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
BDBM50212600 CCCSC1=NS(=O)(=O)c2ccccc2N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:4|
BDBM50212601 CCCCC1=NS(=O)(=O)c2ccccc2N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
BDBM50212603 CCCCC1=Nc2ccccc2S(=O)(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
BDBM50212598 CCCSC1=Nc2ccccc2S(=O)(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
BDBM50213593 CCCCc1nc(SC)c(C(=O)CS(C)(=O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213685 CCCCc1nc(SC)c(C(=O)CS(=O)(=O)c2ccc(F)cc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213550 CCCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CC1CCCCC1
BDBM50213565 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NC1CCCCC1
BDBM50214874 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccccc2[N+]([O-])=O)s1
BDBM50214877 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccc(cc2)C(F)(F)F)s1
BDBM50214973 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccc(OC)cc2)s1
BDBM50214846 CCCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccccc2Cl)s1
BDBM50214847 CCCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccccc2C(O)=O)s1
BDBM50214883 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccccc2Br)s1
BDBM50214970 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccccc2F)s1
BDBM50214851 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccc(F)cc2)s1
BDBM50214873 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2cccc(Cl)c2)s1
BDBM50214882 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2cccc(Br)c2)s1
BDBM50215023 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2cccc(OC)c2)s1
BDBM50214850 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccc(C)cc2)s1
BDBM50215024 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccccc2C(F)(F)F)s1
BDBM50215031 CCCCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccccc2Cl)s1
BDBM50214875 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccc(cc2)[N+]([O-])=O)s1
BDBM50214876 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2cccc(C)c2)s1
BDBM50214878 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccccc2C)s1
BDBM50214879 Clc1ccccc1C(=O)\N=c1/sc(nn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C1CC1
BDBM50214880 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2cccc(F)c2)s1
BDBM50214881 Cc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccccc2C(O)=O)s1
BDBM50214971 Cc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccccc2Cl)s1
BDBM50214972 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccc(Br)cc2)s1
BDBM50215022 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccc(Cl)cc2)s1
BDBM50215025 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2cccc(c2)C(F)(F)F)s1
BDBM50215030 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccccc2OC)s1
BDBM50214848 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccccc2I)s1
BDBM50214849 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2cccc(c2)[N+]([O-])=O)s1
BDBM50228272 N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:59.63,46.47,9.8,31.31,1.0,wD:20.19,27.44,63.66,(4.96,9.59,;6.07,9.07,;7.34,9.95,;7.21,11.48,;6.1,12.01,;8.22,12.19,;6.2,7.53,;7.31,7.01,;4.93,6.66,;5.06,5.12,;6.45,4.47,;7.72,5.35,;9.11,4.69,;10.38,5.57,;11.77,4.91,;12.78,5.62,;11.87,3.69,;3.79,4.24,;2.68,4.77,;3.92,2.71,;2.65,1.83,;1.49,2.85,;,3.22,;-1.5,2.85,;-2.65,1.83,;-3.19,.39,;-3.01,-1.14,;-2.13,-2.4,;-.77,-3.12,;.77,-3.12,;1.06,-4.32,;2.13,-2.4,;3.16,-3.57,;4.67,-3.26,;5.69,-4.41,;7.19,-4.11,;7.68,-2.65,;8.89,-2.4,;6.66,-1.5,;5.15,-1.8,;3.01,-1.14,;3.19,.39,;4.41,.54,;-3.16,-3.57,;-4.37,-3.32,;-2.67,-5.03,;-3.69,-6.18,;-3.2,-7.64,;-1.69,-7.95,;-1.07,-9.35,;.46,-9.17,;.76,-7.66,;-.58,-6.9,;-5.2,-5.88,;-5.59,-4.71,;-6.21,-7.04,;-5.86,-8.52,;-7.18,-9.31,;-8.34,-8.29,;-7.73,-6.88,;-8.51,-5.55,;-9.74,-5.56,;-7.74,-4.21,;-8.52,-2.88,;-7.75,-1.54,;-8.52,-.21,;-7.76,1.12,;-8.54,2.46,;-10.08,2.45,;-10.84,1.11,;-10.06,-.22,;-10.06,-2.88,;-10.67,-3.95,;-10.68,-1.82,)|
BDBM50228312 N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:58.62,45.46,9.8,30.30,1.0,wD:20.19,26.43,62.65,(5.51,9.04,;6.57,8.43,;7.91,9.21,;7.91,10.75,;6.84,11.36,;8.97,11.36,;6.57,6.89,;7.64,6.28,;5.24,6.12,;5.24,4.58,;6.58,3.82,;7.91,4.59,;9.25,3.82,;10.58,4.59,;11.92,3.83,;12.99,4.45,;11.93,2.6,;3.91,3.81,;2.84,4.42,;3.91,2.27,;2.58,1.49,;1.48,2.58,;,2.98,;-1.49,2.58,;-2.58,1.49,;-2.98,,;-2.58,-1.48,;-1.49,-2.58,;,-2.97,;,-4.21,;1.48,-2.58,;2.26,-3.92,;1.48,-5.25,;2.25,-6.59,;1.48,-7.92,;-.06,-7.91,;-.68,-8.98,;-.83,-6.57,;-.06,-5.24,;2.58,-1.48,;2.97,,;4.21,,;-3.92,-2.26,;-4.99,-1.65,;-3.91,-3.8,;-5.25,-4.58,;-5.24,-6.12,;-3.91,-6.89,;-3.76,-8.41,;-2.26,-8.72,;-1.49,-7.39,;-2.52,-6.25,;-6.58,-3.81,;-6.59,-2.58,;-7.91,-4.59,;-8.05,-6.1,;-9.55,-6.43,;-10.33,-5.1,;-9.3,-3.96,;-9.62,-2.45,;-10.79,-2.06,;-8.47,-1.42,;-8.78,.09,;-7.63,1.11,;-7.94,2.62,;-6.8,3.65,;-7.11,5.15,;-8.58,5.63,;-9.72,4.6,;-9.41,3.1,;-10.25,.57,;-11.16,-.25,;-10.49,1.78,)|
BDBM50230831 CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CC(=O)NCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O |wU:57.61,44.45,61.64,29.29,wD:17.16,25.42,6.5,(11.49,5.04,;10.38,5.57,;9.11,4.69,;7.72,5.35,;7.61,6.57,;6.45,4.47,;5.06,5.12,;4.93,6.66,;6.2,7.53,;6.07,9.07,;7.34,9.95,;7.21,11.48,;8.22,12.19,;6.1,12.01,;3.79,4.24,;2.68,4.77,;3.92,2.71,;2.65,1.83,;1.49,2.85,;,3.22,;,4.45,;-1.5,2.85,;-2.65,1.83,;-3.19,.39,;-3.01,-1.14,;-2.13,-2.4,;-.77,-3.12,;.77,-3.12,;1.06,-4.32,;2.13,-2.4,;3.16,-3.57,;4.67,-3.26,;5.69,-4.41,;7.19,-4.11,;7.68,-2.65,;8.89,-2.4,;6.66,-1.5,;5.15,-1.8,;3.01,-1.14,;3.19,.39,;4.41,.54,;-3.16,-3.57,;-4.37,-3.32,;-2.67,-5.03,;-3.69,-6.18,;-3.2,-7.64,;-1.69,-7.95,;-1.07,-9.35,;.46,-9.17,;.76,-7.66,;-.58,-6.9,;-5.2,-5.88,;-5.59,-4.71,;-6.21,-7.04,;-5.86,-8.52,;-7.18,-9.31,;-8.34,-8.29,;-7.73,-6.88,;-8.51,-5.55,;-9.74,-5.56,;-7.74,-4.21,;-8.52,-2.88,;-7.75,-1.54,;-8.52,-.21,;-7.76,1.12,;-8.54,2.46,;-10.08,2.45,;-10.84,1.11,;-10.06,-.22,;-10.06,-2.88,;-10.67,-3.95,;-10.68,-1.82,)|
BDBM50228314 CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:59.63,46.47,10.10,wD:22.24,6.44,63.66,37.39,26.28,(2.55,2.37,;2.49,1.14,;3.45,.38,;1.48,2.3,;,2.73,;-1.48,2.3,;-2.49,1.14,;-2.71,-.39,;-2.07,-1.79,;-3,-2.59,;-.77,-2.62,;-1.21,-4.1,;-2.71,-4.47,;-3.15,-5.94,;-4.65,-6.3,;-5.71,-5.18,;-6.9,-5.47,;-5.27,-3.7,;-3.77,-3.35,;.77,-2.62,;2.06,-1.79,;2.99,-2.59,;2.7,-.39,;4.23,-.61,;4.8,-2.04,;4.04,-3.01,;6.33,-2.26,;7.29,-1.06,;8.81,-1.28,;9.77,-.07,;11.29,-.3,;12.25,.91,;13.47,.73,;11.79,2.06,;6.9,-3.7,;8.43,-3.92,;9.19,-2.95,;9,-5.35,;8.23,-6.31,;10.52,-5.57,;11.09,-7,;10.33,-7.97,;12.31,-7.18,;-3.9,1.78,;-4.02,3,;-5.15,.88,;-6.55,1.52,;-7.8,.62,;-7.66,-.91,;-8.81,-1.91,;-8.19,-3.32,;-6.66,-3.17,;-6.33,-1.67,;-6.7,3.05,;-5.71,3.77,;-8.11,3.69,;-9.42,2.91,;-10.56,3.95,;-9.93,5.35,;-8.4,5.18,;-7.35,6.31,;-7.72,7.49,;-5.86,5.97,;-4.81,7.1,;-3.31,6.76,;-2.26,7.89,;-.76,7.55,;.29,8.68,;-.17,10.16,;-1.67,10.49,;-2.72,9.36,;-5.26,8.57,;-6.46,8.85,;-4.42,9.48,)|
BDBM50230885 CCCc1nc(c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)=O
BDBM50230888 CCCc1nc(c(\C=C\C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230893 Cc1ccc(C)n1-c1nc(C2CC2)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O |(14.26,-14.55,;15.71,-14.07,;16.95,-14.97,;18.19,-14.05,;17.71,-12.59,;18.48,-11.85,;16.18,-12.61,;15.26,-11.37,;13.73,-11.37,;13.25,-9.91,;11.79,-9.43,;10.76,-8.29,;10.28,-9.75,;14.49,-9.01,;14.49,-7.46,;13.15,-6.7,;13.13,-5.14,;11.79,-4.39,;10.47,-5.17,;10.47,-6.7,;11.81,-7.46,;9.14,-4.4,;7.81,-5.17,;6.47,-4.4,;6.47,-2.84,;7.81,-2.08,;9.14,-2.84,;10.45,-2.07,;10.61,-.54,;12.11,-.2,;12.89,-1.54,;11.85,-2.68,;15.74,-9.9,;17.2,-9.43,;18.34,-10.45,;17.51,-7.94,)|
BDBM50230899 CCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230905 CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230911 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)=O
BDBM50230812 CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50230916 CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(=O)OC)c1C
BDBM50230829 [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CSSC[C@@H](NC2=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C
BDBM50230830 [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSSC[C@@H](NC2=O)C(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C
BDBM50230882 CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50230884 CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)C(F)(F)F
BDBM50230887 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)C(F)(F)F
BDBM50230889 CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F
BDBM50230891 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C=O
BDBM50230892 CCCc1nc(c(\C=C\C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.3,-11.62,;12.77,-12.09,;13.92,-11.05,;15.38,-11.53,;15.86,-12.98,;17.39,-12.98,;17.87,-11.49,;19.34,-11.05,;19.65,-9.55,;21.09,-9.07,;21.41,-7.57,;22.24,-10.09,;21.92,-11.59,;16.62,-10.62,;16.62,-9.07,;15.28,-8.3,;13.94,-9.07,;12.6,-8.3,;12.6,-6.77,;13.92,-6,;15.26,-6.74,;11.26,-6.01,;9.93,-6.77,;8.59,-6.01,;8.59,-4.44,;9.93,-3.68,;11.26,-4.44,;12.58,-3.67,;12.74,-2.14,;14.24,-1.8,;15.02,-3.14,;13.98,-4.28,;18.32,-14.23,;19.85,-14.2,;20.74,-12.96,;20.33,-15.67,;19.08,-16.6,;17.84,-15.69,;16.39,-16.17,)|
BDBM50230894 CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)=O
BDBM50230895 CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)OC
BDBM50230896 CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;20.44,-12.04,;21.88,-11.57,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,)|
BDBM50230897 CCCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F
BDBM50230898 CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(c1)C(=O)OCC
BDBM50230900 CCCc1nc(c(\C=C(/C)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230901 CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230902 CCCc1nc(c(\C=C(/C)C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230903 COC(=O)c1c(nc(C2CC2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(19.81,-9.98,;18.35,-10.45,;17.22,-9.43,;17.52,-7.94,;15.77,-9.9,;15.29,-11.37,;13.75,-11.37,;13.28,-9.91,;11.81,-9.43,;10.77,-8.29,;10.29,-9.75,;14.5,-9.01,;14.5,-7.46,;13.16,-6.7,;13.16,-5.14,;11.82,-4.39,;10.48,-5.17,;10.48,-6.7,;11.82,-7.46,;9.15,-4.4,;7.83,-5.17,;6.51,-4.4,;6.51,-2.84,;7.83,-2.08,;9.15,-2.84,;10.48,-2.07,;10.63,-.54,;12.14,-.2,;12.9,-1.54,;11.89,-2.68,;16.2,-12.61,;15.74,-14.07,;14.27,-14.55,;16.98,-14.97,;18.22,-14.05,;17.74,-12.59,;18.51,-11.85,)|
BDBM50230904 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(c1)C(O)=O
BDBM50230906 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(Cl)ccc1Cl |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;19.81,-14.18,;21.14,-13.41,;20.29,-15.64,;19.05,-16.57,;17.81,-15.66,;16.33,-16.06,)|
BDBM50230907 CCCc1nc(c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;13.91,-9.05,;12.58,-8.29,;12.58,-6.76,;13.89,-5.99,;15.23,-6.73,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;21.3,-13.78,)|
BDBM50230908 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(F)(F)C(F)(F)F
BDBM50230909 CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F
BDBM50230910 CCCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230912 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230913 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(c1)C(=O)OCC
BDBM50230914 CCCc1nc(c(C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(Cl)ccc1Cl |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;20.44,-12.04,;21.88,-11.57,;23.03,-12.59,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;19.81,-14.18,;21.14,-13.41,;20.29,-15.64,;19.05,-16.57,;17.81,-15.66,;16.33,-16.06,)|
BDBM50230915 CCCc1ccc(C)n1-c1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O |(13.76,-15.58,;15.23,-15.1,;16.36,-16.14,;17.81,-15.66,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,;18.28,-14.2,;17.36,-12.96,;15.83,-12.96,;15.36,-11.5,;13.89,-11.03,;12.74,-12.07,;11.28,-11.6,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,)|
BDBM50230917 CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.74,-10.55,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;13.91,-9.05,;12.58,-8.29,;12.58,-6.76,;13.89,-5.99,;15.23,-6.73,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.7,-12.94,)|
BDBM50230918 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(O)=O)c1C
BDBM50230919 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F
BDBM50230920 CCCCc1nc(c(C(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50231011 CCCCc1nc2ccc(OCC)c(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50231145 CCCCc1nc2cccc(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50231146 Cc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
BDBM50230877 CCCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F
BDBM50230881 CCCc1nc(c(\C=C\C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.3,-11.62,;12.77,-12.09,;13.92,-11.05,;15.38,-11.53,;15.86,-12.98,;17.39,-12.98,;17.87,-11.49,;19.34,-11.05,;19.65,-9.55,;21.09,-9.07,;22.24,-10.09,;21.41,-7.57,;16.62,-10.62,;16.62,-9.07,;15.28,-8.3,;15.26,-6.74,;13.92,-6,;12.6,-6.77,;12.6,-8.3,;13.94,-9.07,;11.26,-6.01,;9.93,-6.77,;8.59,-6.01,;8.59,-4.44,;9.93,-3.68,;11.26,-4.44,;12.58,-3.67,;12.74,-2.14,;14.24,-1.8,;15.02,-3.14,;13.98,-4.28,;18.32,-14.23,;19.85,-14.2,;20.74,-12.96,;20.33,-15.67,;19.08,-16.6,;17.84,-15.69,;16.39,-16.17,)|
BDBM50231006 Cc1nc2ccccc2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50230825 CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O |wU:59.63,46.47,63.66,31.31,wD:17.16,27.44,6.5,(11.11,6.81,;9.94,7.18,;8.8,6.15,;7.33,6.62,;7.07,7.82,;6.19,5.58,;4.72,6.06,;4.4,7.56,;5.54,8.59,;5.22,10.1,;6.36,11.13,;6.04,12.64,;6.95,13.47,;4.87,13.02,;3.58,5.02,;2.4,5.4,;3.9,3.52,;2.75,2.48,;1.51,3.38,;,3.7,;-1.51,3.38,;-2.01,4.51,;-2.75,2.48,;-3.52,1.15,;-3.68,-.38,;-3.21,-1.85,;-2.18,-2.99,;-.77,-3.62,;.77,-3.62,;2.17,-2.99,;2.9,-3.99,;3.2,-1.85,;4.55,-2.63,;5.88,-1.86,;7.22,-2.63,;8.55,-1.86,;8.55,-.32,;9.62,.3,;7.22,.45,;5.88,-.32,;3.68,-.38,;3.52,1.15,;4.69,1.53,;-1.09,-5.14,;-2.26,-5.52,;.06,-6.16,;-.26,-7.67,;.89,-8.71,;2.35,-8.23,;3.58,-9.13,;4.82,-8.23,;4.34,-6.76,;2.8,-6.77,;-1.72,-8.16,;-2.64,-7.34,;-2.04,-9.66,;-1,-10.78,;-1.76,-12.12,;-3.27,-11.81,;-3.44,-10.28,;-4.77,-9.5,;-5.84,-10.11,;-4.76,-7.96,;-6.1,-7.18,;-6.09,-5.64,;-7.41,-4.86,;-7.41,-3.32,;-8.74,-2.55,;-10.08,-3.32,;-10.08,-4.86,;-8.75,-5.63,;-7.43,-7.94,;-7.43,-9.18,;-8.49,-7.32,)|
BDBM50230878 CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;21.3,-13.78,)|
BDBM50230883 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,)|
BDBM50230886 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(=O)OC)c1C
BDBM50230890 CCCc1nc(c(C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230880 CCCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50231140 CCCCc1nc2ccccc2[n+]([O-])c1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50231147 CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCCC)ccc2[n+]1[O-]
BDBM50231148 CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OC(C)C)ccc2[n+]1[O-]
BDBM50231149 CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(cccc2[n+]1[O-])C(O)=O
BDBM50231150 CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(N)ccc2[n+]1[O-]
BDBM50048131 CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)c1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)C(N)[C@H](CC(C)C)C(C)=O |r|
BDBM50231139 CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(F)ccc2[n+]1[O-]
BDBM50231142 CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC(F)(F)F)ccc2[n+]1[O-]
BDBM50231143 CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OC)ccc2[n+]1[O-]
BDBM50231144 CCCCc1nc2ccccc2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50230879 CCCc1ccc(C)n1-c1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(=O)OC |(13.76,-15.58,;15.23,-15.1,;16.36,-16.14,;17.81,-15.66,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,;18.28,-14.2,;17.36,-12.96,;15.83,-12.96,;15.36,-11.5,;13.89,-11.03,;12.74,-12.07,;11.28,-11.6,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;20.44,-12.04,;21.88,-11.57,)|
BDBM50231007 CCCCc1nc2ccc(F)c(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50231008 CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
BDBM50231009 CCCCOc1ccc2[n+]([O-])c(CCCC)c(Oc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)nc2c1C(O)=O
BDBM50231010 CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-]
BDBM50231141 CCCc1nc2cccc(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1