SMILES for Histone acetyltransferase p300

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:134.135,88.88,132.132,42.49,29.34,153.155,113.113,57.59,174.177,wD:129.128,131.140,4.4,71.70,93.92,164.166,185.188,12.17,(30.67,-41.69,;30.67,-40.13,;32,-39.37,;29.35,-39.36,;29.36,-37.8,;28.03,-37.02,;26.75,-37.88,;26.74,-39.43,;25.41,-37.1,;24.02,-37.78,;22.68,-37.02,;22.69,-35.49,;21.33,-37.79,;21.32,-39.35,;22.65,-40.11,;22.64,-41.67,;23.97,-42.44,;23.87,-43.9,;20,-37.02,;18.66,-37.79,;18.66,-39.32,;17.32,-37,;15.97,-37.76,;14.64,-36.99,;14.63,-35.44,;13.31,-37.76,;11.98,-36.98,;10.65,-37.76,;10.64,-39.29,;9.31,-36.98,;9.31,-35.43,;10.66,-34.65,;10.66,-33.13,;12.01,-32.35,;12.01,-30.76,;7.94,-37.69,;6.59,-36.95,;6.59,-35.4,;5.26,-37.71,;3.95,-36.9,;2.66,-37.74,;2.66,-39.27,;1.32,-36.95,;1.32,-35.4,;2.67,-34.63,;2.67,-33.09,;3.94,-32.22,;4.02,-30.68,;2.63,-29.8,;5.31,-29.81,;-.07,-37.62,;-1.43,-36.91,;-1.43,-35.35,;-2.75,-37.67,;-4.05,-36.84,;-5.31,-37.74,;-5.31,-39.27,;-6.66,-36.95,;-6.64,-35.4,;-5.3,-34.63,;-8,-37.7,;-9.34,-36.95,;-10.66,-37.71,;-9.34,-35.39,;30.68,-37.05,;30.69,-35.52,;32.02,-37.81,;33.39,-37.13,;34.73,-37.91,;34.73,-39.46,;36.02,-37.07,;37.34,-37.87,;37.35,-39.42,;38.66,-40.19,;38.66,-41.74,;39.98,-42.51,;39.91,-44,;38.67,-37.1,;38.68,-35.57,;40.01,-37.86,;41.39,-37.16,;42.72,-37.94,;42.72,-39.5,;44.02,-37.11,;45.34,-37.9,;46.66,-37.14,;46.67,-35.61,;48.01,-37.89,;49.38,-37.18,;49.38,-35.65,;50.72,-37.96,;50.71,-39.51,;52.02,-37.14,;53.34,-37.93,;53.34,-39.48,;54.66,-40.25,;54.66,-41.8,;55.98,-42.57,;55.92,-44.11,;54.6,-44.91,;54.59,-46.45,;53.26,-44.13,;51.92,-44.9,;51.91,-46.43,;50.57,-47.2,;50.52,-48.74,;51.86,-49.52,;53.19,-48.75,;51.85,-51.07,;53.18,-51.84,;53.15,-53.38,;51.81,-54.15,;50.47,-53.37,;51.8,-55.68,;50.42,-56.44,;53.13,-56.45,;54.47,-57.22,;52.35,-57.79,;53.9,-55.13,;55.45,-55.13,;56.22,-53.81,;56.91,-52.5,;54.89,-53.04,;57.56,-54.59,;58.89,-53.83,;60.17,-53.04,;58.13,-52.49,;59.67,-55.17,;58.89,-56.51,;59.65,-57.84,;59,-59.26,;60.14,-60.28,;61.48,-59.53,;62.78,-60.2,;61.17,-58.02,;62.22,-56.89,;63.72,-57.22,;65.15,-57.57,;64,-55.71,;63.38,-58.73,;59.97,-61.82,;58.64,-62.58,;58.95,-64.09,;60.47,-64.26,;61.37,-65.51,;60.73,-66.91,;62.91,-65.37,;63.54,-63.97,;62.64,-62.71,;61.11,-62.86,;54.67,-37.17,;54.68,-35.63,;56.01,-37.93,;57.37,-37.2,;57.37,-35.67,;58.72,-34.9,;58.73,-33.37,;60.05,-32.57,;60.08,-31.03,;58.72,-30.23,;61.38,-30.24,;58.7,-37.98,;58.7,-39.54,;60.02,-37.18,;61.34,-37.97,;61.33,-39.52,;62.65,-40.29,;64.03,-39.7,;65.07,-40.84,;64.3,-42.17,;62.8,-41.83,;62.66,-37.21,;62.66,-35.68,;64,-37.97,;65.34,-37.21,;65.34,-35.69,;66.69,-34.92,;66.7,-33.39,;68.04,-32.63,;68.07,-31.09,;66.7,-30.33,;69.4,-30.32,;66.68,-38,;66.68,-39.55,;68.01,-37.23,;69.34,-38,;69.34,-39.56,;70.67,-40.32,;70.67,-41.88,;71.98,-42.65,;71.98,-44.2,;70.67,-37.24,;72.02,-38.02,;70.69,-35.71,)|

BDBM50255526

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,112.113,42.49,91.91,29.34,153.155,57.59,174.177,110.110,wD:107.106,109.118,4.4,71.70,144.146,164.166,12.17,185.188,(30.47,-5.9,;30.47,-4.35,;31.8,-3.59,;29.15,-3.58,;29.16,-2.02,;27.82,-1.25,;26.53,-2.1,;26.52,-3.65,;25.18,-1.31,;23.8,-1.99,;22.46,-1.23,;22.47,.3,;21.11,-2,;21.11,-3.55,;22.43,-4.32,;22.43,-5.88,;23.75,-6.65,;23.65,-8.11,;19.79,-1.22,;18.45,-1.99,;18.44,-3.52,;17.1,-1.2,;15.76,-1.96,;14.42,-1.19,;14.42,.36,;13.09,-1.96,;11.77,-1.17,;10.44,-1.96,;10.43,-3.49,;9.1,-1.18,;9.1,.38,;10.45,1.15,;10.45,2.68,;11.8,3.45,;11.79,5.03,;7.73,-1.89,;6.39,-1.14,;6.4,.41,;5.06,-1.9,;3.74,-1.11,;2.44,-1.94,;2.44,-3.47,;1.1,-1.15,;1.11,.39,;2.46,1.17,;2.46,2.7,;3.73,3.58,;3.83,5.12,;2.43,5.97,;5.12,5.95,;-.26,-1.86,;-1.61,-1.11,;-1.6,.45,;-2.93,-1.87,;-4.24,-1.05,;-5.49,-1.95,;-5.48,-3.48,;-6.84,-1.16,;-6.82,.38,;-5.47,1.18,;-8.19,-1.9,;-9.54,-1.16,;-10.86,-1.92,;-9.54,.39,;30.48,-1.26,;30.49,.27,;31.81,-2.03,;33.18,-1.33,;34.52,-2.12,;34.52,-3.66,;35.82,-1.29,;37.15,-2.07,;37.16,-3.62,;38.47,-4.39,;38.47,-5.94,;39.79,-6.71,;39.72,-8.25,;38.41,-9.07,;38.41,-10.6,;37.08,-8.3,;35.75,-9.07,;35.75,-10.61,;34.41,-11.38,;34.36,-12.92,;35.7,-13.68,;37.03,-12.92,;35.69,-15.24,;37.02,-16.01,;36.92,-17.54,;35.62,-18.37,;34.27,-17.58,;35.61,-19.89,;34.22,-20.64,;36.93,-20.66,;38.27,-21.44,;36.15,-22,;37.7,-19.34,;39.25,-19.35,;40.02,-18.02,;40.78,-16.68,;38.7,-17.25,;41.37,-18.8,;42.7,-18.04,;43.96,-17.24,;41.94,-16.71,;43.47,-19.39,;42.69,-20.73,;43.46,-22.05,;42.81,-23.47,;43.95,-24.5,;45.29,-23.74,;46.69,-24.39,;44.98,-22.24,;46.03,-21.1,;47.53,-21.43,;48.95,-21.74,;47.79,-19.9,;47.19,-22.94,;43.78,-26.04,;42.44,-26.79,;42.75,-28.31,;44.28,-28.48,;45.17,-29.73,;44.49,-31.11,;46.71,-29.58,;47.35,-28.18,;46.45,-26.92,;44.92,-27.07,;38.48,-1.3,;38.48,.23,;39.8,-2.1,;41.16,-1.37,;42.5,-2.15,;42.5,-3.7,;43.81,-1.34,;45.15,-2.1,;46.48,-1.34,;46.48,.19,;47.8,-2.13,;49.15,-1.38,;49.16,.15,;50.49,-2.17,;50.49,-3.72,;51.82,-1.38,;53.16,-2.14,;53.15,-3.69,;54.48,-4.47,;54.47,-6.02,;55.8,-6.78,;55.74,-8.34,;54.49,-1.38,;54.49,.16,;55.82,-2.15,;57.16,-1.41,;57.17,.12,;58.52,.89,;58.53,2.42,;59.85,3.21,;59.89,4.75,;58.53,5.53,;61.2,5.54,;58.5,-2.19,;58.5,-3.75,;59.83,-1.4,;61.16,-2.18,;61.15,-3.73,;62.46,-4.5,;63.84,-3.91,;64.88,-5.05,;64.11,-6.39,;62.61,-6.04,;62.47,-1.43,;62.48,.11,;63.81,-2.18,;65.15,-1.42,;65.16,.1,;66.5,.87,;66.51,2.4,;67.84,3.17,;67.87,4.71,;66.53,5.48,;69.21,5.49,;66.5,-2.21,;66.49,-3.76,;67.83,-1.44,;69.16,-2.22,;69.16,-3.77,;70.49,-4.54,;70.49,-6.1,;71.8,-6.87,;71.8,-8.42,;70.49,-1.46,;71.84,-2.24,;70.51,.07,)|

BDBM50255524

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,65.64,67.76,29.88,108.113,153.155,93.103,174.177,wD:68.68,70.71,49.49,144.146,12.17,164.166,4.4,185.188,122.124,(32.95,-10.85,;32.95,-9.29,;34.26,-8.53,;31.63,-8.53,;31.63,-6.98,;30.31,-6.18,;28.99,-6.97,;28.99,-8.52,;27.64,-6.19,;26.3,-6.95,;24.94,-6.21,;24.94,-4.69,;23.63,-6.97,;23.63,-8.52,;24.94,-9.28,;24.94,-10.84,;26.26,-11.59,;26.25,-13.1,;22.32,-6.16,;21.02,-6.99,;21.02,-8.55,;19.66,-6.21,;18.3,-6.93,;16.95,-6.2,;16.95,-4.67,;15.63,-6.95,;14.32,-6.15,;13.03,-6.99,;13.03,-8.54,;11.68,-6.2,;11.68,-4.69,;13.03,-3.91,;13.03,-2.39,;14.37,-1.62,;14.37,-.08,;15.75,.61,;17.08,-.16,;15.75,2.15,;17.08,2.92,;18.42,3.69,;18.42,5.23,;19.76,6.01,;21.09,5.23,;21.09,3.69,;22.42,6.01,;23.77,5.23,;25.1,6.01,;25.1,7.55,;23.77,8.33,;26.43,8.33,;26.43,9.86,;27.77,7.55,;29.11,6.77,;28.54,8.89,;27,6.21,;27.77,4.88,;27,3.53,;26.23,2.2,;25.66,4.31,;28.33,2.77,;28.33,1.22,;28.33,-.32,;26.79,1.22,;29.88,1.22,;30.64,2.56,;32.19,2.56,;33.1,3.81,;34.56,3.33,;34.56,1.79,;35.81,.88,;33.1,1.32,;32.62,-.15,;33.65,-1.29,;34.68,-2.44,;32.5,-2.33,;34.8,-.26,;35.81,4.24,;35.81,5.78,;37.28,6.26,;38.18,5.01,;39.71,4.85,;40.62,6.1,;40.34,3.44,;39.44,2.19,;37.9,2.36,;37.28,3.76,;10.29,-6.87,;8.9,-6.2,;8.9,-4.68,;7.58,-6.96,;6.26,-6.17,;4.94,-6.96,;4.94,-8.51,;3.59,-6.18,;3.59,-4.66,;4.94,-3.88,;4.94,-2.37,;6.27,-1.6,;6.25,-.06,;4.94,.8,;7.61,.79,;2.23,-6.9,;.86,-6.19,;.86,-4.67,;-.47,-6.95,;-1.76,-6.12,;-3.06,-6.95,;-3.06,-8.48,;-4.39,-6.18,;-4.39,-4.63,;-3.02,-3.68,;-5.77,-6.86,;-7.14,-6.17,;-8.48,-6.94,;-7.14,-4.63,;32.95,-6.22,;32.95,-4.7,;34.29,-6.96,;35.63,-6.2,;36.98,-6.97,;36.98,-8.53,;38.31,-6.2,;39.64,-6.98,;39.64,-8.53,;40.96,-9.29,;40.96,-10.85,;42.28,-11.6,;42.22,-13.16,;40.96,-6.22,;40.96,-4.7,;42.28,-7.02,;43.62,-6.26,;44.97,-7.04,;44.97,-8.6,;46.31,-6.28,;47.68,-6.98,;49,-6.22,;49,-4.71,;50.29,-7.06,;51.61,-6.28,;51.61,-4.76,;52.96,-7.05,;52.96,-8.61,;54.3,-6.29,;55.68,-6.98,;55.68,-8.54,;56.99,-9.3,;56.99,-10.85,;58.31,-11.61,;58.23,-13.21,;56.99,-6.22,;56.99,-4.7,;58.31,-7.03,;59.63,-6.25,;59.63,-4.74,;60.98,-3.96,;60.98,-2.44,;62.33,-1.68,;62.38,-.14,;61.02,.57,;63.66,.6,;60.98,-7.03,;60.98,-8.58,;62.32,-6.27,;63.68,-6.98,;63.68,-8.54,;65,-9.3,;66.39,-8.7,;67.42,-9.86,;66.64,-11.18,;65.14,-10.84,;65,-6.23,;65,-4.72,;66.33,-7.01,;67.66,-6.23,;67.66,-4.71,;69.01,-3.93,;69.01,-2.41,;70.36,-1.67,;70.36,-.13,;69.05,.59,;71.7,.62,;69.01,-7,;69.01,-8.55,;70.35,-6.24,;71.69,-7,;71.69,-8.56,;73,-9.32,;73,-10.88,;74.32,-11.64,;74.33,-13.2,;73,-6.25,;74.35,-7.03,;73,-4.73,)|

BDBM50255525

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,53.54,51.51,93.103,80.88,153.155,32.32,108.113,174.177,wD:48.47,50.59,4.4,122.124,144.146,164.166,185.188,12.71,(30.94,-27.66,;30.94,-26.11,;32.27,-25.35,;29.62,-25.34,;29.62,-23.78,;28.29,-23.01,;27,-23.86,;26.99,-25.41,;25.66,-23.07,;24.28,-23.77,;22.95,-22.99,;22.96,-21.46,;21.6,-23.77,;21.59,-25.32,;22.92,-26.09,;22.91,-27.64,;24.24,-28.41,;24.13,-29.95,;22.85,-30.79,;22.84,-32.34,;21.51,-30.01,;20.16,-30.78,;20.16,-32.32,;18.81,-33.09,;18.72,-34.63,;20.05,-35.4,;21.38,-34.64,;20.04,-36.96,;21.37,-37.73,;21.34,-39.27,;20,-40.04,;18.66,-39.26,;19.99,-41.57,;18.61,-42.33,;21.32,-42.33,;22.66,-43.11,;20.54,-43.68,;22.09,-41.02,;23.64,-41.02,;24.41,-39.69,;25.09,-38.34,;23.08,-38.93,;25.75,-40.48,;27.08,-39.72,;28.36,-38.93,;26.32,-38.38,;27.86,-41.06,;27.08,-42.4,;27.84,-43.73,;27.19,-45.15,;28.33,-46.17,;29.67,-45.42,;30.96,-46.03,;29.36,-43.91,;30.41,-42.78,;31.91,-43.11,;33.34,-43.43,;32.19,-41.6,;31.57,-44.61,;28.16,-47.71,;26.83,-48.47,;27.14,-49.98,;28.66,-50.15,;29.56,-51.4,;28.92,-52.8,;31.09,-51.26,;31.73,-49.85,;30.83,-48.59,;29.3,-48.75,;20.27,-22.99,;18.93,-23.76,;18.92,-25.29,;17.59,-22.98,;16.24,-23.73,;14.9,-22.97,;14.9,-21.41,;13.57,-23.73,;12.24,-22.95,;10.92,-23.73,;10.91,-25.27,;9.58,-22.96,;9.58,-21.4,;10.93,-20.63,;10.93,-19.1,;12.28,-18.33,;12.27,-16.74,;8.21,-23.66,;6.85,-22.92,;6.86,-21.37,;5.53,-23.68,;4.22,-22.87,;2.93,-23.71,;2.93,-25.24,;1.59,-22.92,;1.59,-21.38,;2.94,-20.6,;2.94,-19.07,;4.22,-18.2,;4.3,-16.67,;2.9,-15.81,;5.58,-15.81,;.21,-23.61,;-1.14,-22.88,;-1.14,-21.32,;-2.47,-23.64,;-3.77,-22.83,;-5.04,-23.71,;-5.03,-25.24,;-6.39,-22.92,;-6.37,-21.38,;-5.03,-20.6,;-7.73,-23.68,;-9.07,-22.92,;-10.39,-23.68,;-9.06,-21.37,;30.95,-23.02,;30.95,-21.49,;32.27,-23.8,;33.65,-23.1,;34.99,-23.89,;34.98,-25.44,;36.28,-23.06,;37.61,-23.84,;37.61,-25.39,;38.93,-26.16,;38.93,-27.71,;40.25,-28.48,;40.18,-29.99,;38.94,-23.08,;38.94,-21.55,;40.27,-23.85,;41.64,-23.14,;42.98,-23.92,;42.98,-25.47,;44.28,-23.1,;45.61,-23.87,;46.93,-23.11,;46.94,-21.58,;48.27,-23.88,;49.63,-23.16,;49.64,-21.62,;50.97,-23.94,;50.97,-25.49,;52.28,-23.13,;53.62,-23.9,;53.61,-25.46,;54.93,-26.23,;54.93,-27.78,;56.26,-28.55,;56.19,-30.08,;54.94,-23.14,;54.95,-21.61,;56.28,-23.91,;57.64,-23.18,;57.65,-21.65,;58.99,-20.88,;59,-19.34,;60.32,-18.55,;60.36,-17.01,;58.99,-16.21,;61.66,-16.21,;58.98,-23.96,;58.98,-25.51,;60.29,-23.16,;61.61,-23.94,;61.61,-25.49,;62.92,-26.27,;64.3,-25.68,;65.34,-26.82,;64.57,-28.15,;63.07,-27.8,;62.93,-23.19,;62.94,-21.66,;64.27,-23.95,;65.61,-23.19,;65.62,-21.67,;66.96,-20.9,;66.97,-19.36,;68.31,-18.61,;68.34,-17.07,;66.98,-16.31,;69.67,-16.29,;66.95,-23.97,;66.95,-25.52,;68.29,-23.2,;69.62,-23.98,;69.62,-25.53,;70.94,-26.3,;70.94,-27.86,;72.26,-28.63,;72.25,-30.18,;70.95,-23.22,;72.29,-24,;70.96,-21.69,)|

BDBM50537293

CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(O)=O |r|

BDBM50537295

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)N1C\C=C\CCN[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r,t:23|

BDBM50524834

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N1CC\C=C/CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r,c:29|

BDBM50511791

CC(C)c1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(cc1)C(C)C

BDBM542158

CC(CNC(C(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1)c1ccccc1)c1ccc(cc1)C#N

BDBM542382

CC(CNC(C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1cnn(C)c1)c1ccc(cc1)C#N

BDBM542222

CC1(C)CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542223

CC1(C)CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM50012070

CC1=CC(=O)c2c(O)cccc2C1=O |t:1|

BDBM50453820

CC1=NN(C(=O)C1=Cc1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|

BDBM50515358

CC1=NN(C(=O)C1CC(=O)Nc1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|

BDBM50515359

CC1=NN(C(=O)C1CCC(=O)Nc1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|

BDBM50081170

CC1=NN(C(=O)\C1=C/Cc1ccc(Cc2cc(C)c(C)cc2[N+]([O-])=O)o1)c1ccc(cc1)C(O)=O |t:1|

BDBM50515344

CC1=NN(C(=O)\C1=C/c1ccc([nH]1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|

BDBM50515356

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1C(F)(F)F)c1cc(F)c(O)c(F)c1 |t:1|

BDBM50515362

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1C(F)(F)F)c1ccc(cc1)C(O)=O |t:1|

BDBM50515363

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1cc(F)c(O)c(F)c1 |t:1|

BDBM50515349

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)-c1nn[nH]n1 |t:1|

BDBM50515366

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C#N |t:1|

BDBM50500877

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(=O)NCC#C |t:1|

BDBM50515367

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)P(O)(O)=O |t:1|

BDBM50515348

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)S(C)(=O)=O |t:1|

BDBM50515345

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cccc2CCC(=O)c12)c1cc(F)c(O)c(F)c1 |t:1|

BDBM50515368

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cccc2CCC(=O)c12)c1ccc(cc1)C(O)=O |t:1|

BDBM50515371

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1C(F)F)c1cc(F)c(O)c(F)c1 |t:1|

BDBM50515365

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1C(F)F)c1ccc(cc1)C(O)=O |t:1|

BDBM50515357

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1OC(F)(F)F)c1cc(F)c(O)c(F)c1 |t:1|

BDBM50515351

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1OC(F)(F)F)c1ccc(cc1)C(O)=O |t:1|

BDBM50515352

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1P(C)(C)=O)c1ccc(cc1)C(O)=O |t:1|

BDBM50515354

CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|

BDBM50515353

CC1=NN(C(=O)\C1=C/c1ccc(s1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|

BDBM50515369

CC1=NN(C(=O)\C1=C/c1cnc(s1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|

BDBM50456444

CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|

BDBM50579793

CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O)c1cccc(Cl)c1 |t:1|

BDBM50579791

CC1CN(C(=O)N1Cc1ccc(o1)-c1cccc(c1)C(O)=O)c1ccc(C)c(C)c1

BDBM50528259

CC1CN(C(C)=O)c2ccc(cc2S1)S(=O)(=O)NCc1ccccc1

BDBM50151663

CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1 |r|

BDBM50515343

CCC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:2|

BDBM50282628

CCCCCCCCCC(=O)Nc1ccc(O)c2ccccc12

BDBM50240436

CCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O

BDBM50151652

CCCCCCCCCCCCCCCc1cccc(OCC)c1C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F

BDBM542361

CCCCCCc1ccc(cc1)C(NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1

BDBM542356

CCCCCCc1cccc(c1)[C@@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|

BDBM542355

CCCCCCc1cccc(c1)[C@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|

BDBM50528246

CCCCC[C@H](O)CC[C@@H]1[C@@H](C\C=C\CCCC(O)=O)C=CC1=O |r,c:20|

BDBM50528253

CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C\CCCC(O)=O)C=CC1=O |r,c:20|

BDBM50537294

CCCC[C@H](N1CCN[C@@H](CC(C)C)C1=O)C(=O)N1CCN([C@@H](CCC(N)=O)C(N)=O)C(=O)[C@@H]1C |r|

BDBM50511817

CCCCc1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(CCCC)cc1

BDBM50506364

CCC[C@@H]1CCc2ccccc2CN1C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)NC)ccc23)C1=O |r|

BDBM542220

CCN(CC)C(=O)C1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542221

CCN(CC)C(=O)C1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM50076494

CCN(CC)c1ccc2c(C)c(-c3ccc(cc3)N3C(=O)C=CC3=O)c(=O)oc2c1 |c:22|

BDBM542244

CCN1CCN(C1=O)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542245

CCN1CCN(C1=O)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542316

CCN1CCN(CC1=O)c1ccc(NC(=O)[C@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542315

CCN1CCN(CC1=O)c1ccc(NC(=O)[C@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM50365463

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

BDBM50562134

CCNC(=O)c1ccc2c(c[nH]c2c1)C(=O)[C@H](NC[C@@H](C)c1ccc(cc1)C#N)c1ccccc1 |r|

BDBM50528254

CCOC(=O)c1cc2cc(OCCCCCNCC#C)ccc2nc1C

BDBM50527570

CCS(=O)(=O)Cc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O

BDBM50527569

CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O

BDBM50539801

CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O

BDBM50527584

CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O

BDBM220447

CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM50537301

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|

BDBM50586865

CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|

BDBM50159140

CCc1c([nH]c(C)c1C(C)=O)C(=O)NC

BDBM50559314

CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc1c(O)ccc2cccc(O)c12

BDBM50594044

CCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CC)cc1

BDBM50579799

CCn1cc(C(O)=O)c(=O)c(c1)-c1ccc(CC2=C(CN(C2=O)c2ccc3ccccc3c2)OC)s1 |t:18|

BDBM310898

CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM50456442

CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6nc(NC(=O)c7nc(NC(=O)c8cc(NC(=O)CCNC(=O)CCNC(=O)c9ccc(cc9)N9N=C(C)\C(=C/c%10ccc(o%10)-c%10cc(C)c(C)cc%10[N+]([O-])=O)C9=O)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C |t:81|

BDBM50456441

CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6nc(NC(=O)c7nc(NC(=O)c8cc(NC(=O)CCNC(=O)COCCOCCNC(=O)c9ccc(cc9)N9N=C(C)\C(=C/c%10ccc(o%10)-c%10cc(C)c(C)cc%10[N+]([O-])=O)C9=O)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C |t:86|

BDBM50456443

CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6nc(NC(=O)c7nc(NC(=O)c8cc(NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)c9ccc(cc9)N9N=C(C)\C(=C/c%10ccc(o%10)-c%10cc(C)c(C)cc%10[N+]([O-])=O)C9=O)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C |t:91|

BDBM50456440

CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCNC(=O)c5nc(NC(=O)c6nc(NC(=O)c7cc(NC(=O)c8nc(NC(=O)CCNC(=O)COCCOCCNC(=O)c9ccc(cc9)N9N=C(C)\C(=C/c%10ccc(o%10)-c%10cc(C)c(C)cc%10[N+]([O-])=O)C9=O)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C |t:86|

BDBM50594032

CN(C)CCCOc1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1

BDBM50567484

CN(C)Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN(C)C)cc1

BDBM50527572

CN(C)S(=O)(=O)c1ccc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O

BDBM50527578

CN(C)S(=O)(=O)c1cnc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O

BDBM50303931

CN(C)c1ccc(O)c2ccccc12

BDBM50511803

CN(CC1CCNCC1)Cc1cc(c(s1)-c1ccc(cc1)C(C)(C)C)-c1ccc(cc1)C(C)(C)C

BDBM50537297

CN1C(=O)[C@@]2(Cc3ccc(CCc4ccc(C[C@]56SS[C@](CO)(N(C)C5=O)C(=O)N6C)cc4)cc3)NC(=O)[C@]1(CO)SS2 |r|

BDBM50537291

CN1C(=O)[C@@]2(Cc3ccc(C[C@@]45SS[C@@](CO)(N(C)C4=O)C(=O)N5C)cc3)SS[C@]1(CO)C(=O)N2C |r|

BDBM50400735

CN1C(=S)NC(=O)\C(=C/c2c[nH]c3ccccc23)C1=O

BDBM50467839

CN1C(=S)NC(=O)\C(=C/c2cc(C)n(C)c2C)C1=O

BDBM50467834

CN1C(=S)NC(=O)\C(=C/c2ccc(o2)N2CCOCC2)C1=O

BDBM50467837

CN1C(=S)NC(=O)\C(=C/c2ccccc2)C1=O

BDBM50467838

CN1C(=S)NC(=O)\C(=C/c2ccncc2)C1=O

BDBM542106

CN1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|

BDBM542230

CN1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)nc1 |r|

BDBM542108

CN1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1 |r|

BDBM542150

CN1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|

BDBM542180

CN1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542107

CN1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|

BDBM542231

CN1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)nc1 |r|

BDBM542109

CN1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1 |r|

BDBM542151

CN1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|

BDBM542181

CN1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542170

CN1CCN(CC1=O)c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)nc1 |r|

BDBM542168

CN1CCN(CC1=O)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542171

CN1CCN(CC1=O)c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)nc1 |r|

BDBM542169

CN1CCN(CC1=O)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542234

CN1CCN(CCC1=O)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542235

CN1CCN(CCC1=O)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM50559467

CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)|

BDBM50151650

CNC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)CNC(=O)CNC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(O)=O)C(C)O)C(C)O)C(C)O

BDBM542423

CNC(=O)Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542422

CNC(=O)Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM50269847

CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F

BDBM50580968

CNC(=O)Nc1cc2CC[C@@]3(OC(=O)N(CC(=O)N4Cc5ccc(F)cc5CC[C@H]4C4CC4)C3=O)c2cc1F |r|

BDBM50580967

CNC(=O)Nc1ccc2c(CCC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50580963

CNC(=O)Nc1ccc2c(CCC[C@@]22OC(=O)N(CC(=O)N3Cc4ccc(F)cc4CC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50506363

CNC(=O)Nc1ccc2c(CC[C@@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|

BDBM50506383

CNC(=O)Nc1ccc2c(CC[C@@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50467836

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)c1 |r|

BDBM50506369

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3CCCc4ccccc4C3)C2=O)c1 |r|

BDBM50580962

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)c(F)cc4CC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50506385

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|

BDBM50580965

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50506373

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccc(F)cc4CC[C@H]3C(F)(F)F)C2=O)c1 |r|

BDBM50506371

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccc(F)cc4CC[C@H]3C)C2=O)c1 |r|

BDBM50506372

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccc(F)cc4CC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50506386

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@@H]3C(F)(F)F)C2=O)c1 |r|

BDBM50506368

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@@H]3C)C2=O)c1 |r|

BDBM50506370

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@H]3C(C)C)C2=O)c1 |r|

BDBM50506382

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@H]3C(F)(F)F)C2=O)c1 |r|

BDBM50506366

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@H]3C)C2=O)c1 |r|

BDBM50506387

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50506388

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4C[C@H]3C)C2=O)c1 |r|

BDBM50506374

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4OC[C@H]3C)C2=O)c1 |r|

BDBM50580971

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cccnc4CC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50580972

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccncc4CC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50580973

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cnccc4CC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50580974

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ncccc4CC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50580966

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4sc(C)c(C)c4OC[C@H]3C(F)(F)F)C2=O)c1 |r|

BDBM50580964

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4sccc4OC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50506375

CNC(=O)Nc1ccc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|

BDBM50506389

CNC(=O)Nc1ccc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50506390

CNC(=O)Nc1ccc2c(CC[C@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@H]3C(F)(F)F)C2=O)c1 |r|

BDBM50506367

CNC(=O)Nc1ccc2c(CC[C@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@H]3C)C2=O)c1 |r|

BDBM50580969

CNC(=O)Nc1ccc2c(COC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50580970

CNC(=O)Nc1ccc2c(OCC[C@@]22OC(=O)N(CC(=O)N3Cc4ccc(F)cc4CC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50607586

CNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2cccc(Cl)c2)cc1 |r|

BDBM50453949

CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1

BDBM50607604

CNC(=O)c1cccc(CNC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2ccc(Cl)cc2)c1 |r|

BDBM50607587

CNC(=O)c1cccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2cccc(Cl)c2)c1 |r|

BDBM50594030

CNCCCCOc1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1

BDBM50594034

CNCCOc1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1

BDBM34791

CNc1nc(-c2ccccc2)[n+](s1)-c1ccc(C)cc1

BDBM50606589

COC(=O)C1CC2CSCN2C11C(=O)Nc2ccc(NCc3ccc(cc3OCC(O)=O)[N+]([O-])=O)cc12

BDBM547567

COC(=O)[C@@H]1CCC[C@H](C1)n1c(Cc2ccccc2)nc2c3CC[C@H](C)N(C(=O)OC)c3ccc12 |r|

BDBM542191

COC1(C)CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542190

COC1(C)CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM50579792

COC1=C(Cc2ccc(o2)-c2cccc(c2)C(O)=O)C(=O)N(C1)c1ccc(C)c(C)c1 |c:2|

BDBM50579796

COC1=C(Cc2ccc(s2)-c2cccc(c2)C(O)=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|

BDBM50579798

COC1=C(Cc2ccc(s2)-c2cn(C)cc(C(O)=O)c2=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|

BDBM50579801

COC1=C(Cc2ccc(s2)-c2cn(Cc3ccccc3)cc(C(O)=O)c2=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|

BDBM50579800

COC1=C(Cc2ccc(s2)-c2cn(cc(C(O)=O)c2=O)C(C)C)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|

BDBM50579797

COC1=C(Cc2ccc(s2)-c2cncc(c2)C(O)=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|

BDBM542224

COC1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542225

COC1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542136

COC1CN(C1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542141

COC1CN(C1)c1ccc(NC(=O)[C@@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542140

COC1CN(C1)c1ccc(NC(=O)[C@@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542137

COC1CN(C1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542139

COC1CN(C1)c1ccc(NC(=O)[C@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542138

COC1CN(C1)c1ccc(NC(=O)[C@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542286

CO[C@@H]1CCN(C1)c1ccc(NC(=O)[C@@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542285

CO[C@@H]1CCN(C1)c1ccc(NC(=O)[C@@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542284

CO[C@@H]1CCN(C1)c1ccc(NC(=O)[C@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542283

CO[C@@H]1CCN(C1)c1ccc(NC(=O)[C@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542290

CO[C@H]1CCN(C1)c1ccc(NC(=O)[C@@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542289

CO[C@H]1CCN(C1)c1ccc(NC(=O)[C@@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542288

CO[C@H]1CCN(C1)c1ccc(NC(=O)[C@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542287

CO[C@H]1CCN(C1)c1ccc(NC(=O)[C@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM50594192

CO[C@H]1CC[C@@H](CC1)n1c(CCc2ccc(OC)c(Cl)c2)nc2cc(ccc12)-c1c(C)noc1C |r,wU:5.8,wD:2.1,(-.59,6.22,;.5,5.13,;.1,3.65,;-1.38,3.25,;-1.78,1.76,;-.69,.67,;.8,1.07,;1.19,2.56,;-1.09,-.82,;-.21,-2.04,;1.33,-2.04,;2.1,-3.37,;3.64,-3.37,;4.41,-4.71,;5.95,-4.7,;6.71,-3.37,;8.25,-3.37,;9.02,-2.04,;5.94,-2.04,;6.71,-.71,;4.41,-2.04,;-1.13,-3.28,;-2.59,-2.82,;-3.92,-3.59,;-5.25,-2.83,;-5.25,-1.29,;-3.92,-.52,;-2.59,-1.28,;-6.59,-3.6,;-7.99,-2.98,;-8.39,-1.49,;-9.02,-4.12,;-8.25,-5.45,;-6.75,-5.13,;-5.66,-6.22,)|

BDBM50594202

CO[C@H]1CC[C@@H](CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@@H]1CC(=O)N1c1ccc(OC)c(Cl)c1 |r,wU:5.8,wD:2.1,24.27,(1.39,8.14,;2.47,7.05,;2.08,5.56,;.59,5.16,;.19,3.67,;1.28,2.59,;2.77,2.98,;3.16,4.47,;.88,1.1,;1.76,-.12,;.84,-1.37,;-.62,-.91,;-1.95,-1.68,;-3.28,-.92,;-3.28,.63,;-1.95,1.4,;-.62,.63,;-4.62,-1.69,;-6.02,-1.06,;-6.42,.43,;-7.05,-2.2,;-6.28,-3.54,;-4.78,-3.22,;-3.69,-4.31,;3.3,-.12,;4.41,.99,;5.5,-.1,;7.04,-.1,;4.39,-1.21,;4.39,-2.75,;3.05,-3.52,;3.06,-5.06,;4.39,-5.83,;4.39,-7.37,;5.72,-8.14,;5.72,-5.06,;7.05,-5.83,;5.72,-3.52,)|

BDBM50594203

CO[C@H]1CC[C@@H](CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@H]1CC(=O)N1c1ccc(OC)c(Cl)c1 |r,wU:5.8,24.27,wD:2.1,(1.39,8.14,;2.47,7.05,;2.08,5.56,;.59,5.16,;.19,3.67,;1.28,2.59,;2.77,2.98,;3.16,4.47,;.88,1.1,;1.76,-.12,;.84,-1.37,;-.62,-.91,;-1.95,-1.68,;-3.28,-.92,;-3.28,.63,;-1.95,1.4,;-.62,.63,;-4.62,-1.69,;-6.02,-1.06,;-6.42,.43,;-7.05,-2.2,;-6.28,-3.54,;-4.78,-3.22,;-3.69,-4.31,;3.3,-.12,;4.41,.99,;5.5,-.1,;7.04,-.1,;4.39,-1.21,;4.39,-2.75,;3.05,-3.52,;3.06,-5.06,;4.39,-5.83,;4.39,-7.37,;5.72,-8.14,;5.72,-5.06,;7.05,-5.83,;5.72,-3.52,)|

BDBM50067040

COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|

BDBM50395260

COc1cc(CN(C(C)C)S(=O)(=O)c2ccccn2)cc2C=CC(C)(C)Oc12 |c:22|

BDBM542124

COc1cc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)ccc1-c1cnn(C)c1 |r|

BDBM542125

COc1cc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)ccc1-c1cnn(C)c1 |r|

BDBM50282492

COc1cc(O)c2ccccc2c1N

BDBM50067033

COc1cc(\C=C2/CCC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O

BDBM50140172

COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O

BDBM542122

COc1cc(ccc1NC(=O)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1)-c1cnn(C)c1 |r|

BDBM542123

COc1cc(ccc1NC(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1)-c1cnn(C)c1 |r|

BDBM50562135

COc1cc2CCC3Nc4cc(O)c(O)cc4CC3c2cc1OC

BDBM50292332

COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC

BDBM179481

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)|

BDBM50366670

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)|

BDBM50594199

COc1ccc(CCc2nc3cc(ccc3n2C2CC(C)(C)OC(C)(C)C2)-c2c(C)noc2C)cc1Cl

BDBM50594194

COc1ccc(CCc2nc3cc(ccc3n2C2CCC(F)(F)CC2)-c2c(C)noc2C)cc1Cl

BDBM50594196

COc1ccc(CCc2nc3cc(ccc3n2C2CCN(CC2)C(C)=O)-c2c(C)noc2C)cc1Cl

BDBM50594195

COc1ccc(CCc2nc3cc(ccc3n2C2CCN(CC2)S(C)(=O)=O)-c2c(C)noc2C)cc1Cl

BDBM188519

COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|

BDBM50594198

COc1ccc(CCc2nc3cc(ccc3n2[C@H]2CC[C@@H](CC2)C(F)(F)F)-c2c(C)noc2C)cc1Cl |r,wU:17.18,wD:20.25,(9.02,-2.24,;8.25,-3.57,;6.71,-3.57,;5.95,-4.9,;4.41,-4.91,;3.64,-3.57,;2.1,-3.57,;1.33,-2.24,;-.21,-2.24,;-1.13,-3.48,;-2.59,-3.02,;-3.92,-3.79,;-5.25,-3.03,;-5.25,-1.48,;-3.92,-.72,;-2.59,-1.48,;-1.09,-1.02,;-.69,.47,;-1.78,1.56,;-1.38,3.05,;.1,3.45,;1.19,2.36,;.8,.87,;.5,4.93,;-.59,6.02,;1.99,5.33,;.9,6.42,;-6.59,-3.8,;-7.99,-3.17,;-8.39,-1.69,;-9.02,-4.32,;-8.25,-5.65,;-6.75,-5.33,;-5.66,-6.42,;4.41,-2.24,;5.94,-2.24,;6.71,-.9,)|

BDBM50594193

COc1ccc(CCc2nc3cc(ccc3n2[C@H]2CC[C@H](O)CC2)-c2c(C)noc2C)cc1Cl |r,wU:17.18,wD:20.22,(9.02,-1.5,;8.25,-2.83,;6.71,-2.83,;5.95,-4.16,;4.41,-4.17,;3.64,-2.83,;2.1,-2.83,;1.33,-1.49,;-.21,-1.49,;-1.13,-2.74,;-2.59,-2.28,;-3.92,-3.05,;-5.25,-2.29,;-5.25,-.74,;-3.92,.03,;-2.59,-.74,;-1.09,-.27,;-.69,1.21,;-1.78,2.3,;-1.38,3.79,;.1,4.19,;.5,5.68,;1.19,3.1,;.8,1.61,;-6.59,-3.06,;-7.99,-2.43,;-8.39,-.94,;-9.02,-3.58,;-8.25,-4.91,;-6.75,-4.59,;-5.66,-5.68,;4.41,-1.49,;5.94,-1.49,;6.71,-.16,)|

BDBM50594197

COc1ccc(CCc2nc3cc(ccc3n2[C@H]2C[C@H](O)C2)-c2c(C)noc2C)cc1Cl |r,wU:17.18,wD:19.21,(9.02,-1.07,;8.25,-2.4,;6.71,-2.4,;5.95,-3.73,;4.41,-3.74,;3.64,-2.4,;2.1,-2.4,;1.33,-1.07,;-.21,-1.07,;-1.13,-2.32,;-2.59,-1.86,;-3.92,-2.62,;-5.25,-1.86,;-5.25,-.32,;-3.92,.45,;-2.59,-.32,;-1.09,.15,;-.69,1.64,;-1.48,3,;-.14,3.77,;.26,5.25,;.64,2.41,;-6.59,-2.63,;-7.99,-2.01,;-8.39,-.52,;-9.02,-3.15,;-8.25,-4.48,;-6.75,-4.16,;-5.66,-5.25,;4.41,-1.07,;5.94,-1.07,;6.71,.26,)|

BDBM50571550

COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1

BDBM50571557

COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1Cl

BDBM50303938

COc1ccc(N)c2ccccc12

BDBM50607603

COc1ccc(NC(=O)CN(C)C(=O)C2(CCCC2)c2ccccc2)cc1

BDBM50607584

COc1ccc(NC(=O)[C@H]2CCCCN2C(=O)C2(CCCC2)c2ccc(Cl)cc2)cc1 |r|

BDBM50607582

COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C(C)(C)c2ccc(Cl)cc2)cc1 |r|

BDBM50607580

COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCC2)c2ccc(Cl)cc2)cc1 |r|

BDBM50607577

COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2ccc(Cl)cc2)cc1 |r|

BDBM50607579

COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2cccc(Cl)c2)cc1 |r|

BDBM50607592

COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2cccc(Cl)c2)nc1 |r|

BDBM50607578

COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2ccccc2)cc1 |r|

BDBM50607581

COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCCC2)c2ccc(Cl)cc2)cc1 |r|

BDBM50607583

COc1ccc(NC(=O)[C@H]2CCN2C(=O)C2(CCCC2)c2ccc(Cl)cc2)cc1 |r|

BDBM50511797

COc1ccc(cc1)-c1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(cc1)-c1ccc(OC)cc1

BDBM50511801

COc1ccc(cc1)-c1ccc(cc1)-c1cc(sc1-c1ccc(cc1)-c1ccc(OC)cc1)C(=O)NCC1CCNCC1

BDBM50594042

COc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(OC)cc1

BDBM50076432

COc1ccc(cc1)-c1nnc(SC2CC(=O)N(C2=O)c2ccc(Cl)cc2)[nH]1

BDBM50607598

COc1ccc(cc1)C1(CCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|

BDBM50600299

COc1ccc(cc1)C1(CCCC1)C(=O)N(C)[C@H](C)C(=O)Nc1cccc2[nH]ncc12 |r|

BDBM50600301

COc1ccc(cc1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|

BDBM50600297

COc1ccc(cc1)C1(CCCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1

BDBM50600305

COc1ccc(cc1)C1(CCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|

BDBM50600303

COc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|

BDBM50600302

COc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|

BDBM50600304

COc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|

BDBM50600298

COc1ccc(cc1)C1(CCCCC1)C(=O)N(C)CC(=O)Nc1cccc2[nH]ncc12

BDBM50600300

COc1ccc(cc1)C1(CCCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|

BDBM50600296

COc1ccc(cc1)C1(CCCCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1

BDBM50600295

COc1ccc(cc1)C1(CCOCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1

BDBM542219

COc1ccc(cc1)[C@@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|

BDBM542218

COc1ccc(cc1)[C@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|

BDBM50511813

COc1ccc(cc1OC)-c1cc(CNCC2CCNCC2)sc1-c1ccc(OC)c(OC)c1

BDBM50151659

COc1ccc(cc1OC)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)N1C(=O)c2ccccc2C1=O)c1cccs1 |c:13|

BDBM50396040

COc1ccc(cc1OC)S(=O)(=O)N(Cc1ccc2OC(C)(C)C=Cc2c1)c1ccccc1 |c:24|

BDBM50579715

COc1ccc2CCCN(CCC\C=C\c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |r|

BDBM50579718

COc1ccc2CCCN(CCC\C=C\c3cccc4NC(=O)C[C@H](C)Nc34)c2c1 |r|

BDBM50594201

COc1ccc2c(Cc3nc4cc(ccc4n3[C@H]3CC[C@H](O)CC3)-c3c(C)noc3C)cc(=O)oc2c1 |r,wU:17.18,wD:20.22,(9.03,-.91,;8.25,-2.25,;6.72,-2.25,;5.95,-.92,;4.41,-.92,;3.64,-2.25,;2.1,-2.25,;1.33,-.92,;-.21,-.92,;-1.13,-2.16,;-2.59,-1.7,;-3.92,-2.47,;-5.25,-1.71,;-5.25,-.17,;-3.92,.6,;-2.59,-.16,;-1.09,.3,;-.69,1.79,;-1.78,2.88,;-1.38,4.37,;.1,4.77,;.5,6.25,;1.19,3.68,;.79,2.19,;-6.59,-2.48,;-8,-1.86,;-8.39,-.37,;-9.03,-3,;-8.26,-4.33,;-6.75,-4.01,;-5.66,-5.1,;1.33,-3.59,;2.1,-4.92,;1.33,-6.25,;3.64,-4.92,;4.41,-3.59,;5.95,-3.58,)|

BDBM50311385

COc1ccc2n(cc(C(=O)Nc3cc(cc(-c4cnn(C)c4)c3F)C(O)=O)c2c1)C(C)=O

BDBM50311261

COc1ccc2n(cc(C(=O)Nc3cc(cc(c3)-c3ccco3)C(O)=O)c2c1)C(C)=O

BDBM50311384

COc1ccc2n(cc(C(=O)Nc3cc(cc(c3)-c3cnn(C)c3)C(O)=O)c2c1)C(C)=O

BDBM542233

COc1cccc(c1)[C@@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|

BDBM542232

COc1cccc(c1)[C@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|

BDBM542270

COc1ccccc1[C@@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|

BDBM542269

COc1ccccc1[C@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|

BDBM50260093

COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r|

BDBM542228

CS(=O)(=O)N1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542229

CS(=O)(=O)N1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM50282490

CS(=O)(=O)Nc1ccc(O)c2ccccc12

BDBM50528249

CS([O-])(=O)=O.COc1cc2CCC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC

BDBM50528260

CS([O-])(=O)=O.COc1cc2CCC[n+]3cc4cc(OC)c(OC)cc4cc3-c2cc1OC

BDBM50587856

CS([O-])(=O)=O.COc1cc2cc3-c4cc5OCOc5cc4CCC[n+]3cc2cc1OC

BDBM50528252

CS([O-])(=O)=O.COc1ccc2cc3-c4cc5OCOc5cc4CCC[n+]3cc2c1OC

BDBM542349

C[C@@H](CN[C@@H](C(=O)Nc1cc(C)c(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542156

C[C@@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542057

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(Cl)cc1 |r|

BDBM542256

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542392

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1c(C)n[nH]c1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542386

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1c(C)nn(C)c1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542388

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1c(C)noc1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542327

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cc(=O)n(C)cn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542394

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1ccc(=O)n(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542103

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1ccc(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542325

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1ccn(C)c(=O)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542345

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cn(C)nc1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542307

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cn(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542321

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cn[nH]c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542076

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnc(C)nc1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542406

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c(=O)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542279

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C#N)c(F)c1 |r|

BDBM542414

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C)nc1 |r|

BDBM542142

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542275

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1F)C#N |r|

BDBM542432

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1cnc(C)nc1 |r|

BDBM542376

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1cnn(C)c1)c1ccc(cc1)C#N |r|

BDBM542347

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542299

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542303

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C(F)(F)F |r|

BDBM542404

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(=O)N(C)C)c1)c1cccc(F)c1)c1ccc(cc1)C#N |r|

BDBM542264

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(=O)N(C)C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542390

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(=O)N2CCCC2)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542260

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(F)(F)F)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542424

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(N)=O)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542174

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C#N)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542192

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542087

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)CO)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542380

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1cnn(C)c1)c1ccc(cc1)C#N |r|

BDBM542186

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C1CCC1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542329

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1noc(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542214

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-n1cc(C)cn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542210

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-n1ccc(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542204

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-n1cnc(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542335

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)C1CN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542368

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CC(=O)N(C)CC1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542366

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CC(C)N(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542402

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1cccc(F)c1)c1ccc(cc1)C#N |r|

BDBM542311

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542398

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1cnn(C)c1)c1ccc(cc1)C#N |r|

BDBM542372

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542331

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)S1(=O)=O)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542317

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(CC(F)(F)F)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542396

C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(CC1)C(C)=O)c1cccc(F)c1)c1ccc(cc1)C#N |r|

BDBM542059

C[C@@H](CN[C@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(Cl)cc1 |r|

BDBM542258

C[C@@H](CN[C@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542101

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1ccc(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542309

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cn(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542323

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cn[nH]c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542074

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnc(C)nc1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542281

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C#N)c(F)c1 |r|

BDBM542416

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C)nc1 |r|

BDBM542144

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542277

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1F)C#N |r|

BDBM542434

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1cnc(C)nc1 |r|

BDBM542378

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1cnn(C)c1)c1ccc(cc1)C#N |r|

BDBM542301

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542305

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C(F)(F)F |r|

BDBM542262

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(F)(F)F)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542176

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C#N)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542194

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542080

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)CO)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542113

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542188

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C1CCC1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542216

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-n1cc(C)cn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542212

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-n1ccc(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542206

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-n1cnc(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542370

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CC(=O)N(C)CC1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542313

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542400

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1cnn(C)c1)c1ccc(cc1)C#N |r|

BDBM542374

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542333

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)S1(=O)=O)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542319

C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(CC(F)(F)F)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542061

C[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1 |r|

BDBM542063

C[C@@H](Cc1ccc(Cl)cc1)N[C@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1 |r|

BDBM50178219

C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r|

BDBM542350

C[C@H](CN[C@@H](C(=O)Nc1cc(C)c(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542157

C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542058

C[C@H](CN[C@@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(Cl)cc1 |r|

BDBM542257

C[C@H](CN[C@@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542393

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1c(C)n[nH]c1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542387

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1c(C)nn(C)c1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542389

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1c(C)noc1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542328

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cc(=O)n(C)cn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542395

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1ccc(=O)n(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542102

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1ccc(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542326

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1ccn(C)c(=O)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542346

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cn(C)nc1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542308

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cn(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542322

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cn[nH]c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542075

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnc(C)nc1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542407

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c(=O)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542280

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C#N)c(F)c1 |r|

BDBM542415

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C)nc1 |r|

BDBM50542060

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542276

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1F)C#N |r|

BDBM542433

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1cnc(C)nc1 |r|

BDBM542385

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1cncc(F)c1)c1ccc(cc1)C#N |r|

BDBM542377

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1cnn(C)c1)c1ccc(cc1)C#N |r|

BDBM542348

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542300

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542304

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C(F)(F)F |r|

BDBM542405

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(=O)N(C)C)c1)c1cccc(F)c1)c1ccc(cc1)C#N |r|

BDBM542265

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(=O)N(C)C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542391

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(=O)N2CCCC2)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542261

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(F)(F)F)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542425

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(N)=O)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542175

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C#N)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542193

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542086

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)CO)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542114

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542381

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1cnn(C)c1)c1ccc(cc1)C#N |r|

BDBM542187

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C1CCC1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542330

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1noc(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542215

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-n1cc(C)cn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542211

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-n1ccc(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542205

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-n1cnc(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542336

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)C1CN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542369

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CC(=O)N(C)CC1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542367

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CC(C)N(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542403

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1cccc(F)c1)c1ccc(cc1)C#N |r|

BDBM542312

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542399

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1cnn(C)c1)c1ccc(cc1)C#N |r|

BDBM542373

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542332

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)S1(=O)=O)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542318

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(CC(F)(F)F)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542397

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(CC1)C(C)=O)c1cccc(F)c1)c1ccc(cc1)C#N |r|

BDBM542159

C[C@H](CN[C@H](C(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542060

C[C@H](CN[C@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(Cl)cc1 |r|

BDBM542259

C[C@H](CN[C@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542100

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1ccc(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542310

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cn(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542324

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cn[nH]c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542073

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnc(C)nc1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542282

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C#N)c(F)c1 |r|

BDBM542417

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C)nc1 |r|

BDBM542145

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542278

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1F)C#N |r|

BDBM542435

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1cnc(C)nc1 |r|

BDBM542384

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1cncc(F)c1)c1ccc(cc1)C#N |r|

BDBM542379

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1cnn(C)c1)c1ccc(cc1)C#N |r|

BDBM542302

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542306

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C(F)(F)F |r|

BDBM542263

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(F)(F)F)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542177

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C#N)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542195

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542079

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)CO)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542112

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542383

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1cnn(C)c1)c1ccc(cc1)C#N |r|

BDBM542189

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C1CCC1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542217

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-n1cc(C)cn1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542213

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-n1ccc(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542207

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-n1cnc(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542338

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)C1CN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542371

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CC(=O)N(C)CC1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542314

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542401

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1cnn(C)c1)c1ccc(cc1)C#N |r|

BDBM542375

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1C)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542334

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)S1(=O)=O)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542320

C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(CC(F)(F)F)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM542062

C[C@H](Cc1ccc(Cl)cc1)N[C@@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1 |r|

BDBM542064

C[C@H](Cc1ccc(Cl)cc1)N[C@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1 |r|

BDBM50028142

C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|

BDBM50603097

C[C@H]1C[C@@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|

BDBM50515372

C\C(=C1/C(C)=NN(C1=O)c1ccc(cc1)C(O)=O)c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O |c:4|

BDBM50527585

Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12

BDBM50527576

Cc1cc(-c2cc(CS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12

BDBM50527594

Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Cc2ccccc2)n2cc[nH]c(=O)c12

BDBM50527596

Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Nc2ccccc2)n2cc[nH]c(=O)c12

BDBM50527590

Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12

BDBM50527593

Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)n2cc[nH]c(=O)c12

BDBM50527589

Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC(C)(C)C)n2cc[nH]c(=O)c12

BDBM50527595

Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC2CC2)n2cc[nH]c(=O)c12

BDBM50527591

Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(Cl)cc2)n2cc[nH]c(=O)c12

BDBM50527583

Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12

BDBM50527582

Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)n2CCNC(=O)c12

BDBM50527592

Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)n2cc[nH]c(=O)c12

BDBM50527571

Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccn2)n2cc[nH]c(=O)c12

BDBM50527574

Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Sc2ccccc2)n2cc[nH]c(=O)c12

BDBM570103

Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12

BDBM50527579

Cc1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(=O)(=O)NC(C)(C)C)n2cc[nH]c(=O)c12

BDBM50527580

Cc1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)n2cc[nH]c(=O)c12

BDBM50527586

Cc1cc(-c2cc(cnc2Oc2ccc(F)cc2F)S(=O)(=O)NC(C)(C)C)n2cc[nH]c(=O)c12

BDBM50527587

Cc1cc(-c2cc(cnc2Oc2ccc(F)cc2F)S(C)(=O)=O)n2cc[nH]c(=O)c12

BDBM50346552

Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|

BDBM50515360

Cc1cc(-c2ccc(\C=C(/C#N)C(=O)Nc3ccc(cc3)C(O)=O)o2)c(cc1C)[N+]([O-])=O

BDBM50515350

Cc1cc(-c2ccc(\C=C3/C(=O)N(N=C3C3CC3)c3ccc(cc3)C(O)=O)o2)c(cc1C)[N+]([O-])=O |c:13|

BDBM50515347

Cc1cc(-c2ccc(\C=C3/C(=O)N(N=C3C3CC3)c3ccc(cc3)C(O)=O)s2)c(cc1C)C(F)(F)F |c:13|

BDBM50515355

Cc1cc(-c2ccc(\C=C3\NC(=O)N(C3=O)c3ccc(cc3)C(O)=O)o2)c(cc1C)[N+]([O-])=O

BDBM50515370

Cc1cc(-c2ccc(\C=C3\SC(=O)N(C3=O)c3ccc(cc3)C(O)=O)o2)c(cc1C)[N+]([O-])=O

BDBM50515361

Cc1cc(C(=O)c2ccc3n(ccc3c2)-c2ccc(cc2)C(O)=O)c(cc1C)[N+]([O-])=O

BDBM50515364

Cc1cc(C(=O)c2ccc3n(ncc3c2)-c2ccc(cc2)C(O)=O)c(cc1C)[N+]([O-])=O

BDBM50515346

Cc1cc(Cc2ccc3n(ncc3c2)-c2ccc(cc2)C(O)=O)c(cc1C)[N+]([O-])=O

BDBM542162

Cc1cc(ccc1CCN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)C#N |r|

BDBM542163

Cc1cc(ccc1CCN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)C#N |r|

BDBM542421

Cc1cc(nn1CCN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)C#N |r|

BDBM542420

Cc1cc(nn1CCN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)C#N |r|

BDBM542410

Cc1ccc(CCNC(C(=O)Nc2ccc(cn2)-c2cnn(C)c2)c2ccccc2)cn1

BDBM542179

Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(cn2)-c2cnn(C)c2)c2ccccc2)cc1 |r|

BDBM542411

Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(cn2)-c2cnn(C)c2)c2ccccc2)cn1 |r|

BDBM542178

Cc1ccc(CCN[C@H](C(=O)Nc2ccc(cn2)-c2cnn(C)c2)c2ccccc2)cc1 |r|

BDBM34786

Cc1ccc(cc1)-c1nc(N)s[n+]1-c1ccccc1

BDBM50140251

Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(CO)cc1

BDBM50076435

Cc1ccc(cc1)N1C(=O)CC(Sc2nncn2-c2ccccc2)C1=O

BDBM43307

Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12

BDBM50579790

Cc1ccc(cc1C)N1C(=O)CN(Cc2ccc(o2)-c2cccc(c2)C(O)=O)C1=O

BDBM50579788

Cc1ccc(cc1C)N1CC(=O)C(Cc2ccc(o2)-c2cccc(c2)C(O)=O)C1=O

BDBM50579789

Cc1ccc(cc1C)N1CC(=O)N(Cc2ccc(o2)-c2cccc(c2)C(O)=O)C1=O

BDBM50579787

Cc1ccc(cc1C)N1CCN(Cc2ccc(o2)-c2cccc(c2)C(O)=O)C1=O

BDBM50579795

Cc1ccc(cc1C)N1CCN(Cc2ccc(s2)-c2cccc(c2)C(O)=O)C1=O

BDBM50506365

Cc1ccc(cc1Cl)N1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O

BDBM50467833

Cc1ccc(cc1Cl)N1C(=S)NC(=O)\C(=C\C=C\c2ccco2)C1=O

BDBM542130

Cc1cn(cn1)-c1ccc(NC(=O)C(NCCc2ccc(cc2)C#N)c2ccccc2)nc1

BDBM542104

Cc1cn(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|

BDBM542105

Cc1cn(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|

BDBM542131

Cc1cn(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542249

Cc1cn(nn1)-c1ccc(NC(=O)C(NCCc2ccc(cc2)C#N)c2ccccc2)nc1

BDBM542248

Cc1cn(nn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542088

Cc1cnc([nH]1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|

BDBM542092

Cc1cnc([nH]1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1 |r|

BDBM542089

Cc1cnc([nH]1)-c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|

BDBM542093

Cc1cnc([nH]1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1 |r|

BDBM50542050

Cc1nc(C(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)c2ccc(cn12)-c1cnn(C)c1 |r|

BDBM542238

Cc1ncn(n1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542239

Cc1ncn(n1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542208

Cc1nnc2CN(CCn12)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542209

Cc1nnc2CN(CCn12)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM50365262

Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|

BDBM249277

Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|

BDBM50594200

Cc1noc(C)c1-c1ccc2n([C@H]3CC[C@H](O)CC3)c(nc2c1)C1CC1c1ccccc1 |r,wU:12.12,wD:15.16,(-6.75,-.94,;-6.35,-2.43,;-7.38,-3.57,;-6.61,-4.91,;-5.11,-4.59,;-4.02,-5.68,;-4.95,-3.06,;-3.61,-2.29,;-3.61,-.74,;-2.28,.03,;-.95,-.74,;.55,-.27,;.95,1.21,;-.14,2.3,;.26,3.79,;1.75,4.19,;2.14,5.68,;2.84,3.1,;2.44,1.61,;1.43,-1.49,;.51,-2.74,;-.95,-2.28,;-2.28,-3.05,;2.97,-1.49,;4.31,-2.26,;4.3,-.72,;5.07,.61,;4.3,1.94,;5.07,3.27,;6.61,3.27,;7.38,1.95,;6.62,.61,)|

BDBM542091

Clc1ccc(CCN[C@@H](C(=O)Nc2ccc(cc2)-c2cccnn2)c2ccccc2)cc1 |r|

BDBM542090

Clc1ccc(CCN[C@H](C(=O)Nc2ccc(cc2)-c2cccnn2)c2ccccc2)cc1 |r|

BDBM50594038

Clc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(Cl)cc1

BDBM50607596

Clc1ccc(cc1)C1(CCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|

BDBM50607588

Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2NC(=O)Cc2c1 |r|

BDBM50607589

Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 |r|

BDBM50607595

Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ccc2n1 |r|

BDBM50607590

Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2c1 |r|

BDBM50607593

Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|

BDBM50607591

Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]nnc2c1 |r|

BDBM50607594

Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1cnc2[nH]ncc2c1 |r|

BDBM50506378

Cn1cc(cn1)-c1cc2CC[C@]3(NC(=O)N(CC(=O)N4Cc5cc(F)ccc5OC[C@H]4C(F)(F)F)C3=O)c2cn1 |r|

BDBM542428

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCC(c2ccc(cc2)C#N)C(F)(F)F)c2ccccc2)nc1 |r|

BDBM542297

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCC2(CC2)c2ccc(Cl)cc2)c2ccccc2)nc1 |r|

BDBM542268

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2c(F)cc(cc2F)C#N)c2ccccc2)nc1 |r|

BDBM542266

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(C#N)c(F)c2)c2ccccc2)nc1 |r|

BDBM542071

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|

BDBM542196

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)nc1 |r|

BDBM542291

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2C#N)c2ccccc2)nc1 |r|

BDBM542202

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(F)cc2)c2ccccc2)nc1 |r|

BDBM542273

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)C2CCCCC2)nc1 |r|

BDBM542226

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccc(Cl)cc2)nc1 |r|

BDBM542343

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccc(F)cc2)nc1 |r|

BDBM542357

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccc(cc2)C#N)nc1 |r|

BDBM542359

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccc(cc2)C(F)(F)F)nc1 |r|

BDBM542250

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2cccc(Cl)c2)nc1 |r|

BDBM542341

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2cccc(F)c2)nc1 |r|

BDBM542351

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2cccc(c2)C#N)nc1 |r|

BDBM542353

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2cccc(c2)C(F)(F)F)nc1 |r|

BDBM542126

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)c(Cl)c1 |r|

BDBM541995

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1 |r|

BDBM542128

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1Cl |r|

BDBM542110

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|

BDBM542118

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542200

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nn1 |r|

BDBM542271

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2Cl)nc1 |r|

BDBM542339

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2F)nc1 |r|

BDBM542065

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)S(N)(=O)=O)c2ccccc2)cc1 |r|

BDBM542293

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2C(F)(F)F)C#N)c2ccccc2)nc1 |r|

BDBM542184

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2Cl)C#N)c2ccccc2)nc1 |r|

BDBM542132

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2F)C#N)c2ccccc2)nc1 |r|

BDBM542412

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cn2)C#N)c2ccccc2)nc1 |r|

BDBM542408

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(nc2)C(F)(F)F)c2ccccc2)nc1 |r|

BDBM542418

Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCn2cc(cn2)C#N)c2ccccc2)nc1 |r|

BDBM542429

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCC(c2ccc(cc2)C#N)C(F)(F)F)c2ccccc2)nc1 |r|

BDBM542298

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCC2(CC2)c2ccc(Cl)cc2)c2ccccc2)nc1 |r|

BDBM542267

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(C#N)c(F)c2)c2ccccc2)nc1 |r|

BDBM542072

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|

BDBM542197

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)nc1 |r|

BDBM542292

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2C#N)c2ccccc2)nc1 |r|

BDBM542203

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(F)cc2)c2ccccc2)nc1 |r|

BDBM542274

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)C2CCCCC2)nc1 |r|

BDBM542227

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccc(Cl)cc2)nc1 |r|

BDBM542344

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccc(F)cc2)nc1 |r|

BDBM542358

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccc(cc2)C#N)nc1 |r|

BDBM542360

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccc(cc2)C(F)(F)F)nc1 |r|

BDBM542251

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2cccc(Cl)c2)nc1 |r|

BDBM542342

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2cccc(F)c2)nc1 |r|

BDBM542352

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2cccc(c2)C#N)nc1 |r|

BDBM542354

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2cccc(c2)C(F)(F)F)nc1 |r|

BDBM542127

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)c(Cl)c1 |r|

BDBM50542054

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1 |r|

BDBM542129

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1Cl |r|

BDBM50542056

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|

BDBM50542055

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM50542058

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nn1 |r|

BDBM542272

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2Cl)nc1 |r|

BDBM542340

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2F)nc1 |r|

BDBM542070

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)S(N)(=O)=O)c2ccccc2)cc1 |r|

BDBM542294

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2C(F)(F)F)C#N)c2ccccc2)nc1 |r|

BDBM542185

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2Cl)C#N)c2ccccc2)nc1 |r|

BDBM542133

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2F)C#N)c2ccccc2)nc1 |r|

BDBM542413

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cn2)C#N)c2ccccc2)nc1 |r|

BDBM542409

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(nc2)C(F)(F)F)c2ccccc2)nc1 |r|

BDBM542419

Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCn2cc(cn2)C#N)c2ccccc2)nc1 |r|

BDBM542436

Cn1cc(cn1)-c1ccc2N(CCCc2c1)C(=O)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM50542053

Cn1cc(cn1)-c1ccc2N(CCCc2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542438

Cn1cc(cn1)-c1ccc2N(CCc2c1)C(=O)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM50542052

Cn1cc(cn1)-c1ccc2N(CCc2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM50506381

Cn1cc(cn1)-c1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|

BDBM50506376

Cn1cc(cn1)-c1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50506380

Cn1cc(cn1)-c1ccc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|

BDBM50506379

Cn1cc(cn1)-c1ccc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)n1 |r|

BDBM50506377

Cn1cc(cn1)-c1ccc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50542046

Cn1cc(cn1)-c1ccc2c(c[nH]c2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM50542047

Cn1cc(cn1)-c1ccc2c(c[nH]c2n1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM50542051

Cn1cc(cn1)-c1ccc2c(cnn2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM50542048

Cn1cc(cn1)-c1ccc2c(n[nH]c2c1)C(=O)C(NCCc1ccc(cc1)C#N)c1ccccc1

BDBM542364

Cn1cc(cn1)-c1cccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)n1 |r|

BDBM542365

Cn1cc(cn1)-c1cccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)n1 |r|

BDBM50542049

Cn1cc(cn1)-c1ccn2c(cnc2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542362

Cn1cc(cn1)-c1ccnc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)c1 |r|

BDBM542363

Cn1cc(cn1)-c1ccnc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)c1 |r|

BDBM542166

Cn1cc(cn1)-c1cnc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)c(Cl)c1 |r|

BDBM542242

Cn1cc(cn1)-c1cnc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)c(F)c1 |r|

BDBM542240

Cn1cc(cn1)-c1cnc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1F |r|

BDBM542198

Cn1cc(cn1)-c1cnc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|

BDBM542167

Cn1cc(cn1)-c1cnc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)c(Cl)c1 |r|

BDBM542243

Cn1cc(cn1)-c1cnc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)c(F)c1 |r|

BDBM542241

Cn1cc(cn1)-c1cnc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1F |r|

BDBM50542057

Cn1cc(cn1)-c1cnc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|

BDBM50506384

Cn1cc(cn1)-c1cnc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|

BDBM542120

Cn1cc(cn1)-c1ncc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|

BDBM50542059

Cn1cc(cn1)-c1ncc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|

BDBM542427

Cn1cc(cn1)[C@@H](NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|

BDBM542426

Cn1cc(cn1)[C@H](NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|

BDBM542098

Cn1ccc(n1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542099

Cn1ccc(n1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542096

Cn1cnc(c1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542097

Cn1cnc(c1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542160

FC(F)(F)CN1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542161

FC(F)(F)CN1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM50346559

FC(F)(F)c1ccc(Cn2sc3ncccc3c2=O)cc1

BDBM50594043

FC(F)(F)c1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C(F)(F)F

BDBM50607600

FC1(F)CC(C1)(C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1)c1ccc(Cl)cc1 |r|

BDBM50607605

FC1(F)CC(C1)(C(=O)N1CCOC[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1)c1ccc(Cl)cc1 |r|

BDBM542246

FC1(F)CCN(C1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542247

FC1(F)CCN(C1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542154

FC1(F)CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM542155

FC1(F)CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|

BDBM50607602

F[C@@H]1C[C@@H](N(C1)C(=O)C1(CC(F)(F)C1)c1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]ncc2n1 |r|

BDBM50607601

F[C@@H]1C[C@@H](N(C1)C(=O)C1(CCC1)c1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]ncc2n1 |r|

BDBM50594039

Fc1cc(ccc1Br)-c1ncc(OCC2CCNCC2)nc1-c1ccc(Br)c(F)c1

BDBM50346554

Fc1ccc(cc1)-n1sc2ncccc2c1=O

BDBM50607597

Fc1ccc(cc1)C1(CCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|

BDBM50567474

Ic1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(I)cc1

BDBM50142084

N#Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C#N

BDBM50528248

NC(=N)NCCC[C@@H]1NC(=O)\C(NC1=O)=C/c1ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(O)=O)C(O)=O)C(O)=O)C(O)=O)c1 |r|

BDBM50528262

NC(=N)NCCC[C@@H]1NC(=O)\C(NC1=O)=C/c1ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(O)=O)C(O)=O)C(O)=O)c1 |r|

BDBM50151655

NC(=N)NCCC[C@@H]1NC(=O)\C(NC1=O)=C\c1ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(O)=O)C(O)=O)C(O)=O)C(O)=O)c1 |r|

BDBM50151656

NC(=N)NCCC[C@@H]1NC(=O)\C(NC1=O)=C\c1ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(O)=O)C(O)=O)C(O)=O)c1 |r|

BDBM50594029

NCCCCOc1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1

BDBM50594031

NCCCOc1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1

BDBM50594033

NCCOc1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1

BDBM50511824

NCc1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(CN)cc1

BDBM50567480

NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN)cc1

BDBM542442

NS(=O)(=O)c1ccc(CCNC(C(=O)N2CCCc3ccccc23)c2ccccc2)cc1

BDBM50542044

NS(=O)(=O)c1ccc(CCNC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1

BDBM542440

NS(=O)(=O)c1ccc(CCN[C@@H](C(=O)N2CCc3ccccc23)c2ccccc2)cc1 |r|

BDBM542441

NS(=O)(=O)c1ccc(CCN[C@H](C(=O)N2CCc3ccccc23)c2ccccc2)cc1 |r|

Nc1ccc(O)c2ccccc12

Nc1ccc(O)c2ccncc12

Nc1ccc(O)cc1

Nc1ccc(cc1)-c1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccc(N)cc1

BDBM50542045

O=C(C(NCCc1ccccc1)c1ccccc1)c1c[nH]c2ccccc12

BDBM50081171

O=C(C1C(=O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1

BDBM50511800

O=C(NCC1CCNCC1)c1cc(c(s1)-c1ccc(cc1)-c1ccoc1)-c1ccc(CN2CCCCC2)cc1

BDBM50511823

O=C(NCC1CCNCC1)c1cc(c(s1)-c1ccc(cc1)-c1ccoc1)-c1ccc(cc1)-c1ccoc1

BDBM542094

O=C(Nc1ccc(cc1)-c1cccnn1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542095

O=C(Nc1ccc(cc1)-c1cccnn1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542146

O=C(Nc1ccc(cn1)-c1ccccc1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542147

O=C(Nc1ccc(cn1)-c1ccccc1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542077

O=C(Nc1ccc(cn1)-c1cn[nH]c1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542078

O=C(Nc1ccc(cn1)-c1cn[nH]c1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542165

O=C(Nc1ccc(cn1)C1CC1)C(NCCc1ccc(cc1)C#N)c1ccccc1

BDBM542164

O=C(Nc1ccc(cn1)C1CC1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542172

O=C(Nc1ccc(cn1)C1CCC1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542173

O=C(Nc1ccc(cn1)C1CCC1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542252

O=C(Nc1ccc(cn1)N1CC2(COC2)C1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542253

O=C(Nc1ccc(cn1)N1CC2(COC2)C1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542295

O=C(Nc1ccc(cn1)N1CCC2(COC2)C1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542296

O=C(Nc1ccc(cn1)N1CCC2(COC2)C1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542152

O=C(Nc1ccc(cn1)N1CCCC1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542153

O=C(Nc1ccc(cn1)N1CCCC1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542254

O=C(Nc1ccc(cn1)N1CCOCC1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542255

O=C(Nc1ccc(cn1)N1CCOCC1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542148

O=C(Nc1ccc(nc1)N1CCCC1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542149

O=C(Nc1ccc(nc1)N1CCCC1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM50607599

O=C(Nc1ccc2[nH]ncc2n1)[C@H]1CCCN1C(=O)C1(CCC1)c1ccc(cc1)C#N |r|

BDBM542182

O=C(Nc1ccn(n1)-c1ccccc1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542183

O=C(Nc1ccn(n1)-c1ccccc1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542134

O=C(Nc1ccn(n1)C1CCOCC1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM542135

O=C(Nc1ccn(n1)C1CCOCC1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|

BDBM50081172

O=C1C(Cc2ccccc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1

BDBM31072

O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3|

BDBM50076255

O=S1(=O)C=C(Sc2nnc(o2)-c2ccncc2)c2ccccc12 |t:3|

BDBM50076254

O=S1(=O)C=C(Sc2nnnn2-c2ccccc2)c2ccccc12 |t:3|

BDBM50247909

O=c1ccsn1-c1ccc(cc1)N1CCOCC1

O=c1ccsn1-c1ccccc1

O=c1ccsn1-c1ccccn1

O=c1ccsn1-c1cccnc1

O=c1ccsn1-c1ccncc1

OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)[C@H](O)CCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2cncnc12)C(N)=O |r|

BDBM50076493

OC(=O)CCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O

BDBM53290

OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O

BDBM50396170

OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2c1O

BDBM50292429

OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C

BDBM50207589

OC(=O)c1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(c2)C(O)=O)ccc1O |w:14.14,7.7|

BDBM50207588

OC(=O)c1cc(\C=C2/CCC\C(=C/c3ccc(O)c(c3)C(O)=O)C2=O)ccc1O

BDBM50076246

OC(=O)c1ccc(cc1)-n1nnnc1SC1=CS(=O)(=O)c2ccccc12 |t:17|

BDBM50579794

OC(=O)c1cccc(c1)-c1ccc(CN2CCN(C2=O)c2ccc3ccccc3c2)o1

BDBM50594037

OC(=O)c1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1

BDBM50511808

OCc1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(CO)cc1

BDBM50567477

OCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CO)cc1

BDBM50076450

Oc1c(Cl)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12

BDBM50076451

Oc1c(Sc2nc[nH]n2)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12

BDBM50420797

Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc12

BDBM50076449

Oc1c(Sc2nnnn2-c2ccccc2)cc(NS(=O)(=O)c2ccccc2)c2ccccc12

BDBM50070942

Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|

BDBM50206427

Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O

BDBM50207587

Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(Br)c2)cc1Br |w:12.11,5.4|

BDBM50067030

Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O |w:5.4,13.13|

BDBM50282493

Oc1ccc(NC(=O)Cc2ccccc2)c2ccccc12

BDBM50607585

Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2cccc(Cl)c2)cc1 |r|

BDBM50425036

Oc1ccc([N+]([O-])=O)c2ccccc12

BDBM50207586

Oc1ccc(\C=C2/CCC\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br

BDBM50067027

Oc1ccc(\C=C2/CCC\C(=C/c3ccc(O)c(O)c3)C2=O)cc1O

BDBM50397030

Oc1ccc(cc1NC(=O)c1cccc2ccccc12)C(=O)c1ccc(O)c(NC(=O)c2cccc3ccccc23)c1

BDBM50076431

Oc1ccccc1-c1nnc(SC2CC(=O)N(C2=O)c2ccc(Br)cc2)o1

BDBM50151660

S(Sc1ccns1)c1ccns1

BDBM50255528

[#6]-[#6@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|

BDBM50255522

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|

BDBM50081166

[#6]-[#6](-[#6])-[#6]-[#7]-1-[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(-[#8])c(-[#8])c2)-[#6]-1=O

BDBM50081165

[#6]-[#6](-[#6])-[#6]-[#7]-1-[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(-[#8])cc2)-[#6]-1=O

BDBM50528244

[#6]-[#6](-[#6])-c1ccc(cc1-[#8])-[#6](=O)-[#6]-1=[#6]2-[#8]C([#6])([#6])[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6][C@@]22[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-1=O)[#6]2=O |r,c:13,THB:28:27:44:12.42.13|

BDBM50151653

[#6]-[#6](-[#6])\[#6]=[#6]\[#6@@H](-[#6][C@@]12[#6]-[#6@@H](\[#6]=[#6]/[#6](-[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)=[#6]1-[#8])[#6]2=O)-[#6](-[#6])=[#6] |r,c:37,THB:40:39:26.37.24:15.8.9|

BDBM50528247

[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\[#6](-[#8])=O)-[#6](-[#8])=O

BDBM50081169

[#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6]-[#6]=[#6])-[#6](=O)-[#7](-[#6]-[#6]=[#6])-[#6]-2=O)ccc1-[#8]

BDBM50081168

[#6]-[#8]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6]-2=O)ccc1-[#8]

BDBM50081162

[#6]-[#8]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)ccc1-[#8]

BDBM50081167

[#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6]-2=O)cc1-[#8]

BDBM50081164

[#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1

BDBM50081161

[#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1-[#8]

BDBM50081163

[#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1-[#8]-[#6]

BDBM50151658

[#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:21,t:15|

BDBM50528256

[#6]-[#8]-c1ccc(cc1-[#8])-[#6](=O)-[#6]-1=[#6]2-[#8]C([#6])([#6])[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6][C@@]22[#6]-[#6@@H](-[#6]\[#6]=[#6](/[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-1=O)[#6]2=O |r,c:12,THB:27:26:43:11.41.12|

BDBM50265449

[#6]-[#8]-c1ccc(cc1-[#8])-[#6](=O)-[#6]-1=[#6]2-[#8]C([#6])([#6])[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6][C@@]22[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2)[#6]-1=O |r,c:12|

BDBM50151654

[#6]-[#8]-c1ccc(cc1-[#8])-[#6](=O)-[#6]-1=[#6]2-[#8]C([#6])([#6])[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6][C@@]22[#6]-[#6@@H](\[#6]=[#6]/[#6](-[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-1=O)[#6]2=O |r,c:12,THB:27:26:43:11.41.12|

BDBM50081125

[#6]-c1cc(-[#8])cc(-[#6])c1\[#6]=[#6]-1/[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6]-1=O

BDBM50377962

[#6]\[#6](-[#6])=[#6]/[#6]-[#6@H]1-[#6][C@@]23[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c4ccc(-[#8])c(-[#8])c4)=[#6]2-[#8]C1([#6])[#6])[#6]3=O |r,c:37,TLB:43:42:15.8.9:26.24.37|

BDBM50241990

[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H](-[#6][C@@]12[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O)-[#6](-[#6])=[#6] |r,TLB:40:39:26.24.37:15.8.9|

BDBM84877

[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)[C@]([#6]\[#6]=[#6](/[#6])-[#6])([#6]2=O)C1([#6])[#6] |r,THB:33:32:15.24.13:34.6.5|

BDBM84873

[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@@]([#6](=O)-c3ccccc3)([#6]2=O)C1([#6])[#6] |r,THB:33:32:15.21.13:34.6.5|

BDBM50366305

[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H](-[#6][C@]12[#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)=[#6]1-[#8])[#6]2=O)-[#6](-[#6])=[#6] |r,c:37,TLB:40:39:26.37.24:15.8.9|

BDBM84874

[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)[C@]1([#6])[#6]-[#6]=[#6](-[#6])-[#6] |r,THB:35:34:15.26.13:36.6.5|

BDBM50528242

[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]23[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c4ccc(c(c4)S([#6])(=O)=O)S([#6])(=O)=O)=[#6]2-[#8]C1([#6])[#6])[#6]3=O |r,c:43,THB:10:9:48:26.24.43|

BDBM84875

[#6]\[#6](-[#6])=[#6]\[#6]-[#6](-[#6]-[#6](-[#6]=[#6](-[#6])-[#6])[C@]12[#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O)-[#6](-[#6])=[#6] |r,TLB:45:44:31.29.42:20.13.14|

BDBM50081159

[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1

BDBM50081160

[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1-[#8]

BDBM50528255

[Br-].COc1cc2CC3c4cc(OC)c(OC)cc4CCC[N+]3(Cc3ccccc3)Cc2cc1OC

BDBM50528261

[Br-].COc1cc2CC3c4cc5OCOc5cc4CCC[N+]3(Cc3ccccc3)Cc2cc1OC

BDBM50528251

[Br-].COc1cc2CCC[N+]3(Cc4ccccc4)Cc4c(CC3c2cc1OC)ccc(OC)c4OC

BDBM50528258

[Br-].COc1cc2CCC[n+]3cc4c(OCc5ccc(cc5)[N+]([O-])=O)c(OC)ccc4cc3-c2cc1OC

BDBM50528243

[Br-].COc1ccc2CC3c4cc5OCOc5cc4CCC[N+]3(Cc3ccccc3)Cc2c1OC

BDBM50076328

[Cl-].CNc1nc(-c2ccccc2)[n+](s1)-c1ccccc1

BDBM50528250

[Cl-].COc1ccc2cc3-c4cc(OC)c(OC)cc4CCC[n+]3cc2c1OCc1ccccc1

BDBM50092312

[H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14|

BDBM50528245

[H][C@@]12C(=O)C=C3C=C(C(C)C)C(=O)C(O)=C3[C@@]1(C)CCCC2(C)C |c:14,t:4,6|

BDBM50366332

[H][C@@]12CC[C@]3(C)[C@]4(CCC(=O)[C@]([H])(C[C@@]5([H])C(=C)[C@@H](O)CC[C@]15C)[C@@]23O4)[C@H](C)CC[C@@H](C)C(C)C |r|

BDBM50366333

[H][C@@]12C[C@@]3([H])C(=C)[C@@H](O)CC[C@]3(C)C3=C1[C@](C)(CC3)[C@]([H])(CCC2=O)[C@H](C)CC[C@@H](C)C(C)C |r,c:14|

BDBM50366309

[H][C@@]12C[C@]3(O)C(=O)CC[C@]([H])([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC[C@]5(O[C@@]345)[C@@]1(C)CC[C@H](O)C2=C |r|

BDBM50562136

[H][C@]12CC[C@@H](O)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cccc(OC)c31)C2 |r|

BDBM50366313

[H][C@]12CC[C@@]3(C)C1=C(C[C@@]1([H])C(=C)[C@@H](O)CC[C@]21C)C(=O)CC[C@]3([H])[C@H](C)CC[C@@H](C)C(C)C |r,c:7|

BDBM50571569

[H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)N3CCN(CC3)c3ccc(cc3)-c3nc4ccc(cn4c3NC3CCCCC3)-c3c(C)noc3C)[C@@]1([H])NC(=O)N2 |r|

BDBM50366297

[H][C@]12C[C@@]3([H])C(=C)[C@@H](O)CC[C@]3(C)[C@@]34CC[C@](C)([C@]([H])(CCC1=O)[C@H](C)CC[C@@H](C)C(C)C)[C@@]23O4 |r|

BDBM50584925

[H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11|

BDBM50076260

[O-][N+](=O)c1c(Sc2nnnn2-c2ccccc2)cc(Cl)c2nonc12

BDBM50076256

[O-][N+](=O)c1cc(Br)c2nsnc2c1Sc1ncnc2[nH]cnc12