BindingDB logo
myBDB logout

34 SMILES Strings for Muscarinic receptor M3 (M3)

Compound NameSMILES String
BDBM50296330 OC(C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(30.44,-17.2,;29.36,-18.29,;30.69,-19.06,;30.7,-20.6,;32.02,-18.28,;33.36,-19.05,;33.36,-20.59,;34.69,-21.35,;34.67,-22.89,;36,-23.67,;37.34,-22.92,;38.67,-23.7,;40.01,-22.94,;41.33,-23.73,;42.67,-22.97,;42.69,-21.43,;41.35,-20.65,;40.02,-21.41,;36.02,-20.59,;36.02,-19.05,;34.69,-18.27,;35.11,-19.51,;34.06,-19.86,;29.35,-16.75,;28.1,-15.84,;28.57,-14.38,;30.11,-14.37,;30.59,-15.84,;28.02,-19.06,;26.61,-18.44,;25.58,-19.59,;26.36,-20.92,;27.86,-20.59,)|
BDBM50296331 OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)|
BDBM50296335 OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(-4.1,-13.42,;-5.19,-14.51,;-3.85,-15.28,;-3.84,-16.82,;-2.52,-14.5,;-1.18,-15.27,;-1.18,-16.81,;.15,-17.57,;.13,-19.11,;1.46,-19.89,;2.8,-19.14,;4.13,-19.92,;5.47,-19.16,;6.79,-19.95,;8.13,-19.19,;8.14,-17.65,;6.81,-16.87,;5.47,-17.63,;1.48,-16.81,;1.48,-15.27,;.15,-14.49,;.57,-15.73,;-.48,-16.08,;-5.19,-12.97,;-3.86,-12.2,;-3.86,-10.66,;-5.2,-9.89,;-6.54,-10.68,;-6.53,-12.21,;-6.52,-15.28,;-7.85,-14.51,;-9.18,-15.28,;-9.18,-16.83,;-7.83,-17.59,;-6.51,-16.81,)|
BDBM50296340 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(18.52,-46.24,;18.51,-44.7,;19.84,-43.93,;21.18,-44.69,;21.18,-46.23,;22.51,-46.99,;22.49,-48.53,;23.82,-49.32,;25.16,-48.56,;26.49,-49.34,;27.83,-48.58,;29.15,-49.37,;30.49,-48.61,;30.51,-47.07,;29.17,-46.29,;27.84,-47.05,;23.84,-46.23,;23.84,-44.69,;22.51,-43.91,;22.93,-45.16,;21.88,-45.51,;17.18,-43.93,;15.84,-44.71,;14.44,-44.09,;13.41,-45.23,;14.18,-46.56,;15.69,-46.24,;17.17,-42.39,;15.92,-41.49,;16.39,-40.03,;17.93,-40.02,;18.41,-41.48,)|
BDBM50296341 OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccsc1)c1ccsc1 |r,wD:5.4,(-3.84,-.23,;-5.17,-1.01,;-3.83,-1.77,;-3.83,-3.31,;-2.5,-1,;-1.17,-1.77,;-1.17,-3.31,;.16,-4.07,;.15,-5.61,;1.47,-6.39,;2.82,-5.63,;4.14,-6.42,;5.48,-5.66,;6.81,-6.44,;8.15,-5.69,;8.16,-4.15,;6.82,-3.36,;5.49,-4.12,;1.49,-3.31,;1.49,-1.77,;.16,-.99,;.58,-2.23,;-.47,-2.58,;-6.5,-1.78,;-7.91,-1.16,;-8.94,-2.31,;-8.16,-3.64,;-6.66,-3.31,;-5.17,.53,;-6.43,1.43,;-5.96,2.9,;-4.42,2.9,;-3.94,1.44,)|
BDBM50296329 OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)|
BDBM200229 [H][C@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C
BDBM228847 CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |wU:5.4,TLB:4:5:18.19:21.22,(4.32,2.14,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;3.29,-5.61,;3.26,-7.15,;4.59,-7.94,;4.56,-9.48,;5.89,-10.27,;5.86,-11.81,;4.52,-12.56,;3.2,-11.77,;3.22,-10.23,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;6.49,1.9,;6.26,3.42,;7.46,4.38,;8.9,3.81,;9.12,2.29,;7.92,1.33,;6.24,-.27,;7.76,-.04,;8.72,-1.24,;8.16,-2.68,;6.64,-2.91,;5.68,-1.7,)|
BDBM228848 OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1ccccc1 |wU:5.4,TLB:4:5:18.19:21.22,(4.32,2.14,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;.62,-5.57,;-.7,-4.78,;-2.05,-5.53,;-3.37,-4.74,;-4.71,-5.49,;-6.04,-4.7,;-6.01,-3.16,;-4.67,-2.41,;-3.35,-3.2,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;6.24,-.27,;5.83,-1.75,;7.12,-2.6,;8.32,-1.64,;7.78,-.2,;6.49,1.9,;6.26,3.42,;7.46,4.38,;8.9,3.81,;9.12,2.29,;7.92,1.33,)|
BDBM228849 OC(C(=O)O[C@H]1C[N+]2(C\C=C\c3ccccc3)CCC1CC2)(c1ccco1)c1ccccc1 |wU:5.4,TLB:4:5:17.18:20.21,(6.24,-.27,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;3.29,-5.61,;4.63,-4.86,;5.96,-5.65,;7.3,-4.9,;8.62,-5.69,;8.6,-7.23,;7.25,-7.98,;5.93,-7.19,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;4.32,2.14,;2.78,2.07,;2.24,3.51,;3.45,4.47,;4.73,3.62,;6.49,1.9,;6.26,3.42,;7.46,4.38,;8.9,3.81,;9.12,2.29,;7.92,1.33,)|
BDBM228850 OC(C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)(c1ccco1)c1ccccc1 |wU:5.4,TLB:4:5:17.18:20.21,(6.24,-.27,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;.62,-5.57,;-.7,-4.78,;-2.05,-5.53,;-2.07,-7.07,;-3.41,-7.82,;-4.74,-7.03,;-4.71,-5.49,;-3.37,-4.74,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;4.32,2.14,;2.78,2.07,;2.24,3.51,;3.45,4.47,;4.73,3.62,;6.49,1.9,;6.26,3.42,;7.46,4.38,;8.9,3.81,;9.12,2.29,;7.92,1.33,)|
BDBM228851 OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccco1)c1ccccc1 |wU:5.4,TLB:4:5:18.19:21.22,(6.24,-.27,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;.62,-5.57,;-.7,-4.78,;-2.05,-5.53,;-3.37,-4.74,;-4.71,-5.49,;-6.04,-4.7,;-6.01,-3.16,;-4.67,-2.41,;-3.35,-3.2,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;4.32,2.14,;2.78,2.07,;2.24,3.51,;3.45,4.47,;4.73,3.62,;6.49,1.9,;6.26,3.42,;7.46,4.38,;8.9,3.81,;9.12,2.29,;7.92,1.33,)|
BDBM228852 OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccc(F)cc3)CCC1CC2)(c1cccs1)c1cccs1 |wU:5.4,TLB:4:5:20.19:22.23,(4.32,2.14,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;.62,-5.57,;-.7,-4.78,;-2.05,-5.53,;-3.37,-4.74,;-3.35,-3.2,;-4.67,-2.41,;-6.01,-3.16,;-7.33,-2.37,;-6.04,-4.7,;-4.71,-5.49,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;6.49,1.9,;7.97,1.49,;8.82,2.77,;7.86,3.97,;6.42,3.43,;6.24,-.27,;5.83,-1.75,;7.12,-2.6,;8.32,-1.64,;7.78,-.2,)|
BDBM228853 Oc1ccccc1OCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:17.21,TLB:19:17:12.13:15.16,(-4.74,-7.03,;-4.71,-5.49,;-6.04,-4.7,;-6.01,-3.16,;-4.67,-2.41,;-3.35,-3.2,;-3.37,-4.74,;-2.05,-5.53,;-.7,-4.78,;.62,-5.57,;1.97,-4.82,;1.99,-3.28,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;3.1,-2.51,;3.39,-3.93,;4.31,-1.55,;4.08,-.02,;2.64,.54,;5.28,.94,;4.32,2.14,;6.49,1.9,;7.97,1.49,;8.82,2.77,;7.86,3.97,;6.42,3.43,;6.24,-.27,;5.83,-1.75,;7.12,-2.6,;8.32,-1.64,;7.78,-.2,)|
BDBM228854 OC(C(=O)O[C@H]1C[N+]2(CCCn3cccc3)CCC1CC2)(c1cccs1)c1cccs1 |wU:5.4,TLB:4:5:16.17:19.20,(4.32,2.14,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;.62,-5.57,;-.7,-4.78,;-2.05,-5.53,;-2.23,-7.06,;-3.74,-7.36,;-4.49,-6.01,;-3.44,-4.89,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;6.49,1.9,;7.97,1.49,;8.82,2.77,;7.86,3.97,;6.42,3.43,;6.24,-.27,;5.83,-1.75,;7.12,-2.6,;8.32,-1.64,;7.78,-.2,)|
BDBM228855 OC(C(=O)O[C@H]1C[N+]2(CCc3cccs3)CCC1CC2)(c1cccs1)c1cccs1 |wU:5.4,TLB:4:5:15.16:18.19,(4.32,2.14,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;3.29,-5.61,;3.26,-7.15,;2.01,-8.04,;2.46,-9.51,;4,-9.53,;4.5,-8.08,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;6.49,1.9,;7.97,1.49,;8.82,2.77,;7.86,3.97,;6.42,3.43,;6.24,-.27,;5.83,-1.75,;7.12,-2.6,;8.32,-1.64,;7.78,-.2,)|
BDBM228856 OC(C(=O)O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)(c1cccs1)c1cccs1 |wU:5.4,TLB:4:5:16.17:19.20,(4.32,2.14,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;.62,-5.57,;-.7,-4.78,;-2.05,-5.53,;-3.44,-4.89,;-4.49,-6.01,;-3.74,-7.36,;-2.23,-7.06,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;6.49,1.9,;7.97,1.49,;8.82,2.77,;7.86,3.97,;6.42,3.43,;6.24,-.27,;5.83,-1.75,;7.12,-2.6,;8.32,-1.64,;7.78,-.2,)|
BDBM228857 OC(C(=O)O[C@H]1C[N+]2(CCOCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |wU:5.4,TLB:4:5:19.18:21.22,(4.32,2.14,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;.62,-5.57,;-.7,-4.78,;-2.05,-5.53,;-3.37,-4.74,;-4.71,-5.49,;-6.04,-4.7,;-6.01,-3.16,;-4.67,-2.41,;-3.35,-3.2,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;6.49,1.9,;7.97,1.49,;8.82,2.77,;7.86,3.97,;6.42,3.43,;6.24,-.27,;5.83,-1.75,;7.12,-2.6,;8.32,-1.64,;7.78,-.2,)|
BDBM228865 CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
BDBM162365 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1ccccc1)c1ccccc1 |wU:3.2,(1.33,1.54,;1.33,3.08,;,3.85,;-1.33,3.08,;-1.33,1.54,;-2.67,.77,;-2.67,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-4,-6.16,;-4,-7.7,;-5.33,-8.47,;-6.67,-7.7,;-6.67,-6.16,;-3.3,1.73,;-3.3,2.89,;-2.67,3.85,;-4,3.08,;-4,1.54,;2.67,3.85,;2.67,5.39,;1.33,6.16,;1.33,7.7,;2.67,8.47,;4,7.7,;4,6.16,;4,3.08,;5.33,3.85,;6.67,3.08,;6.67,1.54,;5.33,.77,;4,1.54,)|
BDBM162478 OC1(C2C=CC=CC2C2C=CC=CC12)C(=O)O[C@H]1C[N+]2(CCC1CC2)\C=C\Cc1ccccc1 |wU:17.19,c:3,5,10,12,(2.86,2.67,;2.78,4.21,;4.19,3.58,;4.67,2.11,;6.17,1.79,;7.2,2.94,;6.73,4.4,;5.22,4.72,;4.45,6.06,;4.93,7.52,;3.9,8.67,;2.39,8.35,;1.91,6.88,;2.94,5.74,;1.45,3.44,;1.45,1.9,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-6.55,-2.72,;-7.89,-3.5,;-7.89,-5.03,;-6.55,-5.81,;-5.22,-5.03,)|
BDBM162483 OC1(C2C=CC=CC2C2C=CC=CC12)C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 |wU:17.19,c:3,5,10,12,(2.86,2.67,;2.78,4.21,;4.19,3.58,;4.67,2.11,;6.17,1.79,;7.2,2.94,;6.73,4.4,;5.22,4.72,;4.45,6.06,;4.93,7.52,;3.9,8.67,;2.39,8.35,;1.91,6.88,;2.94,5.74,;1.45,3.44,;1.45,1.9,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-6.55,-2.72,;-6.55,-1.19,;-7.89,-.41,;-9.22,-1.18,;-9.22,-2.72,;-7.89,-3.49,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,)|
BDBM162484 OC1(C2C=CC=CC2C2C=CC=CC12)C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2 |wU:17.19,c:3,5,10,12,(2.86,2.67,;2.78,4.21,;4.19,3.58,;4.67,2.11,;6.17,1.79,;7.2,2.94,;6.73,4.4,;5.22,4.72,;4.45,6.06,;4.93,7.52,;3.9,8.67,;2.39,8.35,;1.91,6.88,;2.94,5.74,;1.45,3.44,;1.45,1.9,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-5.22,-5.04,;-3.89,-5.81,;-2.55,-5.04,;-2.55,-3.49,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,)|
BDBM162519 OC1(C2C=CC=CC2C2C=CC=CC12)C(=O)O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2 |wU:17.19,c:3,5,10,12,(2.86,2.67,;2.78,4.21,;4.19,3.58,;4.67,2.11,;6.17,1.79,;7.2,2.94,;6.73,4.4,;5.22,4.72,;4.45,6.06,;4.93,7.52,;3.9,8.67,;2.39,8.35,;1.91,6.88,;2.94,5.74,;1.45,3.44,;1.45,1.9,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-5.38,-5.03,;-6.89,-5.35,;-7.66,-4.01,;-6.63,-2.87,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,)|
BDBM162520 CC1(C2C=CC=CC2C2C=CC=CC12)C(=O)O[C@H]1C[N+]2(CCC1CC2)\C=C\Cc1ccccc1 |wU:17.19,c:3,5,10,12,(2.86,2.67,;2.78,4.21,;4.19,3.58,;4.67,2.11,;6.17,1.79,;7.2,2.94,;6.73,4.4,;5.22,4.72,;4.45,6.06,;4.93,7.52,;3.9,8.67,;2.39,8.35,;1.91,6.88,;2.94,5.74,;1.45,3.44,;1.45,1.9,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-6.55,-2.72,;-7.89,-3.5,;-7.89,-5.03,;-6.55,-5.81,;-5.22,-5.03,)|
BDBM162543 CC1(C2C=CC=CC2C2C=CC=CC12)C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 |wU:17.19,c:3,5,10,12,(2.86,2.67,;2.78,4.21,;4.19,3.58,;4.67,2.11,;6.17,1.79,;7.2,2.94,;6.73,4.4,;5.22,4.72,;4.45,6.06,;4.93,7.52,;3.9,8.67,;2.39,8.35,;1.91,6.88,;2.94,5.74,;1.45,3.44,;1.45,1.9,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-5.22,-5.03,;-6.55,-5.8,;-6.55,-7.35,;-5.22,-8.12,;-3.89,-7.35,;-3.89,-5.8,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,)|
BDBM162549 O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C1C2C=CC=CC2OC2C=CC=CC12 |wU:3.2,c:26,28,34,36,(1.45,1.9,;1.45,3.44,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-5.22,-5.03,;-6.55,-5.8,;-6.55,-7.35,;-5.22,-8.12,;-3.89,-7.35,;-3.89,-5.8,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,;2.78,4.21,;4.12,3.44,;4.12,1.89,;5.45,1.12,;6.78,1.89,;6.78,3.44,;5.45,4.21,;5.45,5.75,;4.12,6.52,;4.12,8.06,;2.78,8.83,;1.45,8.06,;1.45,6.52,;2.78,5.75,)|
BDBM162550 O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C1C2C=CC=CC2OC2C=CC=CC12 |wU:3.2,c:25,27,33,35,(1.45,1.9,;1.45,3.44,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-6.55,-2.72,;-7.89,-3.5,;-7.89,-5.03,;-6.55,-5.81,;-5.22,-5.03,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,;2.78,4.21,;4.12,3.44,;4.12,1.89,;5.45,1.12,;6.78,1.89,;6.78,3.44,;5.45,4.21,;5.45,5.75,;4.12,6.52,;4.12,8.06,;2.78,8.83,;1.45,8.06,;1.45,6.52,;2.78,5.75,)|
BDBM162551 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1C2C=CC=CC2OC2C=CC=CC12 |wU:3.2,c:26,28,34,36,(1.45,1.9,;1.45,3.44,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-5.22,-5.03,;-6.55,-5.8,;-6.55,-7.35,;-5.22,-8.12,;-3.89,-7.35,;-3.89,-5.8,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,;2.78,4.21,;4.12,3.44,;4.12,1.89,;5.45,1.12,;6.78,1.89,;6.78,3.44,;5.45,4.21,;5.45,5.75,;4.12,6.52,;4.12,8.06,;2.78,8.83,;1.45,8.06,;1.45,6.52,;2.78,5.75,)|
BDBM162552 O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1C2C=CC=CC2OC2C=CC=CC12 |wU:3.2,c:24,26,32,34,(1.45,1.9,;1.45,3.44,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-5.22,-5.04,;-3.89,-5.81,;-2.55,-5.04,;-2.55,-3.49,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,;2.78,4.21,;4.12,3.44,;4.12,1.89,;5.45,1.12,;6.78,1.89,;6.78,3.44,;5.45,4.21,;5.45,5.75,;4.12,6.52,;4.12,8.06,;2.78,8.83,;1.45,8.06,;1.45,6.52,;2.78,5.75,)|
BDBM162553 OC1(C2C=CC=CC2OC2C=CC=CC12)C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 |wU:18.20,c:3,5,11,13,(2.78,2.67,;2.78,4.21,;4.12,3.44,;4.12,1.89,;5.45,1.12,;6.78,1.89,;6.78,3.44,;5.45,4.21,;5.45,5.75,;4.12,6.52,;4.12,8.06,;2.78,8.83,;1.45,8.06,;1.45,6.52,;2.78,5.75,;1.45,3.44,;1.45,1.9,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-5.22,-5.03,;-6.55,-5.8,;-6.55,-7.35,;-5.22,-8.12,;-3.89,-7.35,;-3.89,-5.8,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,)|
BDBM162554 OC1(C2C=CC=CC2OC2C=CC=CC12)C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2 |wU:18.20,c:3,5,11,13,(2.78,2.67,;2.78,4.21,;4.12,3.44,;4.12,1.89,;5.45,1.12,;6.78,1.89,;6.78,3.44,;5.45,4.21,;5.45,5.75,;4.12,6.52,;4.12,8.06,;2.78,8.83,;1.45,8.06,;1.45,6.52,;2.78,5.75,;1.45,3.44,;1.45,1.9,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-5.22,-5.04,;-3.89,-5.81,;-2.55,-5.04,;-2.55,-3.49,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,)|
BDBM162555 OC1(C2C=CC=CC2OC2C=CC=CC12)C(=O)O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2 |wU:18.20,c:3,5,11,13,(2.78,2.67,;2.78,4.21,;4.12,3.44,;4.12,1.89,;5.45,1.12,;6.78,1.89,;6.78,3.44,;5.45,4.21,;5.45,5.75,;4.12,6.52,;4.12,8.06,;2.78,8.83,;1.45,8.06,;1.45,6.52,;2.78,5.75,;1.45,3.44,;1.45,1.9,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-5.38,-5.03,;-6.89,-5.35,;-7.66,-4.01,;-6.63,-2.87,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,)|
BDBM162556 CC1(C2C=CC=CC2OC2C=CC=CC12)C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 |wU:18.20,c:3,5,11,13,(2.78,2.67,;2.78,4.21,;4.12,3.44,;4.12,1.89,;5.45,1.12,;6.78,1.89,;6.78,3.44,;5.45,4.21,;5.45,5.75,;4.12,6.52,;4.12,8.06,;2.78,8.83,;1.45,8.06,;1.45,6.52,;2.78,5.75,;1.45,3.44,;1.45,1.9,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-5.22,-5.03,;-6.55,-5.8,;-6.55,-7.35,;-5.22,-8.12,;-3.89,-7.35,;-3.89,-5.8,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,)|