SMILES for Neuronal acetylcholine receptor subunit alpha-7

3702 SMILES Strings for Neuronal acetylcholine receptor subunit alpha-7

Compound Name

SMILES String

COc1ccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:22.23,(9.94,-4,;8.4,-4,;7.63,-2.67,;6.09,-2.67,;5.32,-1.33,;6.09,,;5.32,1.33,;3.78,1.33,;3.01,,;3.01,2.67,;1.47,2.67,;.7,4,;-.84,4,;-1.61,2.67,;-3.11,2.35,;-3.27,.82,;-1.87,.19,;-.84,1.33,;.7,1.33,;-4.61,.05,;-4.61,-1.49,;-5.94,.82,;-7.28,.05,;-7.28,-1.49,;-8.61,-2.26,;-9.94,-1.49,;-9.94,.05,;-8.61,.82,;-7.84,-.52,;-9.33,-.92,;7.63,,;8.4,-1.33,)|

BDBM125048

O=C(NCCc1ccccc1)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(2.63,,;3.4,1.33,;4.94,1.33,;5.71,,;7.25,,;8.02,-1.33,;7.25,-2.67,;8.02,-4,;9.56,-4,;10.33,-2.67,;9.56,-1.33,;2.63,2.67,;1.09,2.67,;.32,4,;-1.22,4,;-1.99,2.67,;-3.5,2.35,;-3.66,.82,;-2.25,.19,;-1.22,1.33,;.32,1.33,;-4.99,.05,;-4.99,-1.49,;-6.33,.82,;-7.66,.05,;-7.66,-1.49,;-8.99,-2.26,;-10.33,-1.49,;-10.33,.05,;-8.99,.82,;-8.22,-.52,;-9.71,-.92,)|

BDBM125049

O=C(Nc1cccc(c1)C#N)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(2.19,-.67,;2.96,.67,;4.5,.67,;5.27,-.67,;4.5,-2,;5.27,-3.33,;6.81,-3.33,;7.64,-2,;6.81,-.67,;9.18,-2,;10.72,-2,;2.19,2,;.65,2,;-.12,3.33,;-1.66,3.33,;-2.43,2,;-3.93,1.68,;-4.1,.15,;-2.69,-.48,;-1.66,.67,;-.12,.67,;-5.43,-.62,;-5.43,-2.16,;-6.76,.15,;-8.1,-.62,;-8.1,-2.16,;-9.43,-2.93,;-10.76,-2.16,;-10.76,-.62,;-9.43,.15,;-8.66,-1.18,;-10.15,-1.58,)|

BDBM125050

Fc1cccc(F)c1NC(=O)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(9.17,.67,;8.4,-.67,;9.17,-2,;8.4,-3.33,;6.86,-3.33,;6.09,-2,;4.55,-2,;6.86,-.67,;6.09,.67,;4.55,.67,;3.78,-.67,;3.78,2,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;1.47,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.07,-1.18,;-8.56,-1.58,)|

BDBM125052

O=C(Nc1ccccc1)Nc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:22.24,(4.55,.67,;3.78,-.67,;4.55,-2,;6.09,-2,;6.86,-.67,;8.4,-.67,;9.17,-2,;8.4,-3.33,;6.86,-3.33,;2.24,-.67,;1.47,.67,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.12,-1.2,;-8.61,-1.6,)|

BDBM125051

COc1cccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)c1 |r,wU:23.24,(10.33,-3.33,;9.56,-2,;8.02,-2,;7.25,-3.33,;5.71,-3.33,;4.94,-2,;5.71,-.67,;4.94,.67,;3.4,.67,;2.63,-.67,;2.63,2,;1.09,2,;.32,3.33,;-1.22,3.33,;-1.99,2,;-3.5,1.68,;-3.66,.15,;-2.25,-.48,;-1.22,.67,;.32,.67,;-4.99,-.62,;-4.99,-2.16,;-6.33,.15,;-7.66,-.62,;-7.66,-2.16,;-8.99,-2.93,;-10.33,-2.16,;-10.33,-.62,;-8.99,.15,;-8.22,-1.18,;-9.71,-1.58,;7.25,-.67,)|

BDBM322156

CC1(C)C(NC(=O)c2cc3ccccc3s2)C2CCN1CC2 |(3.67,-2.1,;3.67,-.56,;2.34,-1.33,;2.9,.77,;1.36,.77,;.59,-.56,;1.36,-1.9,;-.95,-.56,;-1.85,-1.81,;-3.32,-1.33,;-4.65,-2.1,;-5.98,-1.33,;-5.98,.21,;-4.65,.98,;-3.32,.21,;-1.85,.68,;3.67,2.1,;4.71,1.59,;5.28,.59,;5.21,-.56,;5.98,.77,;5.21,2.1,)|

BDBM322190

CC1(C)[C@H](NC(=O)c2cc3ccccc3s2)C2CCN1CC2 |wD:3.3,(3.67,-2.1,;3.67,-.56,;2.34,-1.33,;2.9,.77,;1.36,.77,;.59,-.56,;1.36,-1.9,;-.95,-.56,;-1.85,-1.81,;-3.32,-1.33,;-4.65,-2.1,;-5.98,-1.33,;-5.98,.21,;-4.65,.98,;-3.32,.21,;-1.85,.68,;3.67,2.1,;4.71,1.59,;5.28,.59,;5.21,-.56,;5.98,.77,;5.21,2.1,)|

BDBM322192

CC1(C)C(NC(=O)c2ccc(Cl)cc2)C2CCN1CC2 |(-1.9,2.98,;-2.67,1.64,;-1.13,1.64,;-2.67,.1,;-1.33,-.67,;,.1,;,1.64,;1.33,-.67,;2.67,.1,;4,-.67,;4,-2.21,;5.33,-2.98,;2.67,-2.98,;1.33,-2.21,;-4,-.67,;-4.64,.29,;-4.64,1.45,;-4,2.41,;-5.33,1.64,;-5.33,.1,)|

BDBM322193

CC1(C)[C@H](NC(=O)c2cc3cccc(Cl)c3s2)C2CCN1CC2 |wD:3.3,(3.67,-2.31,;3.67,-.77,;2.34,-1.54,;2.9,.56,;1.36,.56,;.59,-.77,;1.36,-2.1,;-.95,-.77,;-1.85,-2.02,;-3.32,-1.54,;-4.65,-2.31,;-5.98,-1.54,;-5.98,,;-4.65,.77,;-4.65,2.31,;-3.32,,;-1.85,.48,;3.67,1.9,;4.71,1.38,;5.28,.38,;5.21,-.77,;5.98,.56,;5.21,1.9,)|

BDBM322194

CC1(C)[C@@H](NC(=O)c2cc3cccc(Cl)c3s2)C2CCN1CC2 |wU:3.3,(3.67,-2.31,;3.67,-.77,;2.34,-1.54,;2.9,.56,;1.36,.56,;.59,-.77,;1.36,-2.1,;-.95,-.77,;-1.85,-2.02,;-3.32,-1.54,;-4.65,-2.31,;-5.98,-1.54,;-5.98,,;-4.65,.77,;-4.65,2.31,;-3.32,,;-1.85,.48,;3.67,1.9,;4.71,1.38,;5.28,.38,;5.21,-.77,;5.98,.56,;5.21,1.9,)|

BDBM322195

CC1(C)[C@H](NC(=O)c2cc3cccc(F)c3s2)C2CCN1CC2 |wD:3.3,(3.67,-2.31,;3.67,-.77,;2.34,-1.54,;2.9,.56,;1.36,.56,;.59,-.77,;1.36,-2.1,;-.95,-.77,;-1.85,-2.02,;-3.32,-1.54,;-4.65,-2.31,;-5.98,-1.54,;-5.98,,;-4.65,.77,;-4.65,2.31,;-3.32,,;-1.85,.48,;3.67,1.9,;4.71,1.38,;5.28,.38,;5.21,-.77,;5.98,.56,;5.21,1.9,)|

BDBM322196

CC1(C)[C@@H](NC(=O)c2cc3cccc(F)c3s2)C2CCN1CC2 |wU:3.3,(3.67,-2.31,;3.67,-.77,;2.34,-1.54,;2.9,.56,;1.36,.56,;.59,-.77,;1.36,-2.1,;-.95,-.77,;-1.85,-2.02,;-3.32,-1.54,;-4.65,-2.31,;-5.98,-1.54,;-5.98,,;-4.65,.77,;-4.65,2.31,;-3.32,,;-1.85,.48,;3.67,1.9,;4.71,1.38,;5.28,.38,;5.21,-.77,;5.98,.56,;5.21,1.9,)|

BDBM322197

CC1(C)[C@H](NC(=O)c2ccc3ccsc3c2)C2CCN1CC2 |wD:3.3,(-2.42,2.98,;-3.19,1.64,;-1.65,1.64,;-3.19,.1,;-1.85,-.67,;-.52,.1,;-.52,1.64,;.82,-.67,;.82,-2.21,;2.15,-2.98,;3.48,-2.21,;4.95,-2.68,;5.85,-1.44,;4.95,-.19,;3.48,-.67,;2.15,.1,;-4.52,-.67,;-5.16,.29,;-5.16,1.45,;-4.52,2.41,;-5.85,1.64,;-5.85,.1,)|

BDBM322198

CC1(C)[C@@H](NC(=O)c2ccc3ccsc3c2)C2CCN1CC2 |wU:3.3,(-2.42,2.98,;-3.19,1.64,;-1.65,1.64,;-3.19,.1,;-1.85,-.67,;-.52,.1,;-.52,1.64,;.82,-.67,;.82,-2.21,;2.15,-2.98,;3.48,-2.21,;4.95,-2.68,;5.85,-1.44,;4.95,-.19,;3.48,-.67,;2.15,.1,;-4.52,-.67,;-5.16,.29,;-5.16,1.45,;-4.52,2.41,;-5.85,1.64,;-5.85,.1,)|

BDBM322199

CC1(C)[C@H](NC(=O)c2ccc3occc3c2)C2CCN1CC2 |wU:3.3,(-1.65,-1.64,;-3.19,-1.64,;-2.42,-2.98,;-3.19,-.1,;-1.85,.67,;-.52,-.1,;-.52,-1.64,;.82,.67,;.82,2.21,;2.15,2.98,;3.48,2.21,;4.95,2.68,;5.85,1.44,;4.95,.19,;3.48,.67,;2.15,-.1,;-4.52,.67,;-5.16,-.29,;-5.16,-1.45,;-4.52,-2.41,;-5.85,-1.64,;-5.85,-.1,)|

BDBM322200

CC1(C)[C@@H](NC(=O)c2ccc3occc3c2)C2CCN1CC2 |wD:3.3,(-1.65,-1.64,;-3.19,-1.64,;-2.42,-2.98,;-3.19,-.1,;-1.85,.67,;-.52,-.1,;-.52,-1.64,;.82,.67,;.82,2.21,;2.15,2.98,;3.48,2.21,;4.95,2.68,;5.85,1.44,;4.95,.19,;3.48,.67,;2.15,-.1,;-4.52,.67,;-5.16,-.29,;-5.16,-1.45,;-4.52,-2.41,;-5.85,-1.64,;-5.85,-.1,)|

BDBM322201

CC1(C)[C@H](NC(=O)c2cc3cccc(c3s2)C(F)(F)F)C2CCN1CC2 |wD:3.3,(3.67,-3.08,;3.67,-1.54,;2.34,-2.31,;2.9,-.21,;1.36,-.21,;.59,-1.54,;1.36,-2.87,;-.95,-1.54,;-1.85,-2.79,;-3.32,-2.31,;-4.65,-3.08,;-5.98,-2.31,;-5.98,-.77,;-4.65,,;-3.32,-.77,;-1.85,-.29,;-4.65,1.54,;-3.32,2.31,;-4.65,3.08,;-5.98,2.31,;3.67,1.13,;4.71,.61,;5.28,-.39,;5.21,-1.54,;5.98,-.21,;5.21,1.13,)|

BDBM322202

CC1(C)[C@@H](NC(=O)c2cc3cccc(c3s2)C(F)(F)F)C2CCN1CC2 |wU:3.3,(3.67,-3.08,;3.67,-1.54,;2.34,-2.31,;2.9,-.21,;1.36,-.21,;.59,-1.54,;1.36,-2.87,;-.95,-1.54,;-1.85,-2.79,;-3.32,-2.31,;-4.65,-3.08,;-5.98,-2.31,;-5.98,-.77,;-4.65,,;-3.32,-.77,;-1.85,-.29,;-4.65,1.54,;-3.32,2.31,;-4.65,3.08,;-5.98,2.31,;3.67,1.13,;4.71,.61,;5.28,-.39,;5.21,-1.54,;5.98,-.21,;5.21,1.13,)|

BDBM322203

CC1(C)[C@H](NC(=O)c2cc3ccc(F)cc3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-5.32,.21,;-6.65,.98,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322204

CC1(C)[C@@H](NC(=O)c2cc3ccc(F)cc3s2)C2CCN1CC2 |wU:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-5.32,.21,;-6.65,.98,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322205

CC1(C)[C@H](NC(=O)c2cc3ccc(cc3s2)C#N)C2CCN1CC2 |wD:3.3,(5.01,-2.1,;5.01,-.56,;3.67,-1.33,;4.24,.77,;2.7,.77,;1.93,-.56,;2.7,-1.9,;.39,-.56,;-.52,-1.81,;-1.98,-1.33,;-3.32,-2.1,;-4.65,-1.33,;-4.65,.21,;-3.32,.98,;-1.98,.21,;-.52,.68,;-5.98,.98,;-7.32,1.75,;5.01,2.1,;6.04,1.59,;6.62,.59,;6.55,-.56,;7.32,.77,;6.55,2.1,)|

BDBM322206

CC1(C)[C@@H](NC(=O)c2cc3ccc(cc3s2)C#N)C2CCN1CC2 |wU:3.3,(5.01,-2.1,;5.01,-.56,;3.67,-1.33,;4.24,.77,;2.7,.77,;1.93,-.56,;2.7,-1.9,;.39,-.56,;-.52,-1.81,;-1.98,-1.33,;-3.32,-2.1,;-4.65,-1.33,;-4.65,.21,;-3.32,.98,;-1.98,.21,;-.52,.68,;-5.98,.98,;-7.32,1.75,;5.01,2.1,;6.04,1.59,;6.62,.59,;6.55,-.56,;7.32,.77,;6.55,2.1,)|

BDBM322207

CC1(C)[C@H](NC(=O)c2cc3ccc(cc3s2)C(F)(F)F)C2CCN1CC2 |wD:3.3,(5.01,-2.31,;5.01,-.77,;3.67,-1.54,;4.24,.56,;2.7,.56,;1.93,-.77,;2.7,-2.1,;.39,-.77,;-.52,-2.02,;-1.98,-1.54,;-3.32,-2.31,;-4.65,-1.54,;-4.65,,;-3.32,.77,;-1.98,,;-.52,.48,;-5.98,.77,;-5.98,2.31,;-7.32,1.54,;-7.32,,;5.01,1.9,;6.04,1.38,;6.62,.38,;6.55,-.77,;7.32,.56,;6.55,1.9,)|

BDBM322208

CC1(C)[C@@H](NC(=O)c2cc3ccc(cc3s2)C(F)(F)F)C2CCN1CC2 |wU:3.3,(5.01,-2.31,;5.01,-.77,;3.67,-1.54,;4.24,.56,;2.7,.56,;1.93,-.77,;2.7,-2.1,;.39,-.77,;-.52,-2.02,;-1.98,-1.54,;-3.32,-2.31,;-4.65,-1.54,;-4.65,,;-3.32,.77,;-1.98,,;-.52,.48,;-5.98,.77,;-5.98,2.31,;-7.32,1.54,;-7.32,,;5.01,1.9,;6.04,1.38,;6.62,.38,;6.55,-.77,;7.32,.56,;6.55,1.9,)|

BDBM322209

CC1(C)[C@H](NC(=O)c2cc3cc(F)ccc3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-6.65,-2.1,;-5.32,.21,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322210

CC1(C)[C@@H](NC(=O)c2cc3cc(F)ccc3s2)C2CCN1CC2 |wU:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-6.65,-2.1,;-5.32,.21,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322211

CC1(C)[C@H](NC(=O)c2cc3ccc(Cl)cc3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-5.32,.21,;-6.65,.98,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322212

CC1(C)[C@@H](NC(=O)c2cc3ccc(Cl)cc3s2)C2CCN1CC2 |wU:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-5.32,.21,;-6.65,.98,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322213

CC1(C)[C@H](NC(=O)c2cc3cc(Cl)ccc3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-6.65,-2.1,;-5.32,.21,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322214

CC1(C)[C@@H](NC(=O)c2cc3cc(Cl)ccc3s2)C2CCN1CC2 |wU:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-6.65,-2.1,;-5.32,.21,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322215

CC1(C)[C@H](NC(=O)c2cc3cc(Cl)c(Cl)cc3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-6.65,-2.1,;-5.32,.21,;-6.65,.98,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322216

CC1(C)[C@@H](NC(=O)c2cc3cc(Cl)c(Cl)cc3s2)C2CCN1CC2 |wU:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-6.65,-2.1,;-5.32,.21,;-6.65,.98,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322217

Cc1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(-6.65,.98,;-5.32,.21,;-5.32,-1.33,;-3.98,-2.1,;-2.65,-1.33,;-1.18,-1.81,;-.28,-.56,;-1.18,.68,;-2.65,.21,;-3.98,.98,;1.26,-.56,;2.03,-1.9,;2.03,.77,;3.57,.77,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,;4.34,-.56,;4.34,-2.1,;3.01,-1.33,)|

BDBM322218

Cc1ccc2cc(sc2c1)C(=O)N[C@H]1C2CCN(CC2)C1(C)C |wU:13.14,(-6.65,.98,;-5.32,.21,;-5.32,-1.33,;-3.98,-2.1,;-2.65,-1.33,;-1.18,-1.81,;-.28,-.56,;-1.18,.68,;-2.65,.21,;-3.98,.98,;1.26,-.56,;2.03,-1.9,;2.03,.77,;3.57,.77,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,;4.34,-.56,;4.34,-2.1,;3.01,-1.33,)|

BDBM322219

Cc1ccc2sc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(-6.65,-2.1,;-5.32,-1.33,;-5.32,.21,;-3.98,.98,;-2.65,.21,;-1.18,.68,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;1.26,-.56,;2.03,-1.9,;2.03,.77,;3.57,.77,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,;4.34,-.56,;4.34,-2.1,;3.01,-1.33,)|

BDBM322221

Cc1ccc2sc(cc2c1)C(=O)N[C@H]1C2CCN(CC2)C1(C)C |wU:13.14,(-6.65,-2.1,;-5.32,-1.33,;-5.32,.21,;-3.98,.98,;-2.65,.21,;-1.18,.68,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;1.26,-.56,;2.03,-1.9,;2.03,.77,;3.57,.77,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,;4.34,-.56,;4.34,-2.1,;3.01,-1.33,)|

BDBM322222

CC1(C)[C@H](NC(=O)c2cc3cc(ccc3s2)C(F)(F)F)C2CCN1CC2 |wD:3.3,(5.01,-1.33,;5.01,.21,;3.67,-.56,;4.24,1.54,;2.7,1.54,;1.93,.21,;2.7,-1.13,;.39,.21,;-.52,-1.04,;-1.98,-.56,;-3.32,-1.33,;-4.65,-.56,;-4.65,.98,;-3.32,1.75,;-1.98,.98,;-.52,1.45,;-5.98,-1.33,;-7.32,-2.1,;-5.98,-2.87,;-7.32,-.56,;5.01,2.87,;6.04,2.36,;6.62,1.36,;6.55,.21,;7.32,1.54,;6.55,2.87,)|

BDBM322223

CC1(C)[C@@H](NC(=O)c2cc3cc(ccc3s2)C(F)(F)F)C2CCN1CC2 |wU:3.3,(5.01,-1.33,;5.01,.21,;3.67,-.56,;4.24,1.54,;2.7,1.54,;1.93,.21,;2.7,-1.13,;.39,.21,;-.52,-1.04,;-1.98,-.56,;-3.32,-1.33,;-4.65,-.56,;-4.65,.98,;-3.32,1.75,;-1.98,.98,;-.52,1.45,;-5.98,-1.33,;-7.32,-2.1,;-5.98,-2.87,;-7.32,-.56,;5.01,2.87,;6.04,2.36,;6.62,1.36,;6.55,.21,;7.32,1.54,;6.55,2.87,)|

BDBM322224

CC1(C)[C@H](NC(=O)c2cc3ccc(cc3s2)C2CC2)C2CCN1CC2 |wD:3.3,(5.11,-2.21,;5.11,-.67,;3.78,-1.44,;4.34,.67,;2.8,.67,;2.03,-.67,;2.8,-2,;.49,-.67,;-.41,-1.91,;-1.88,-1.44,;-3.21,-2.21,;-4.55,-1.44,;-4.55,.1,;-3.21,.87,;-1.88,.1,;-.41,.58,;-5.88,.87,;-7.42,.87,;-6.65,2.21,;5.11,2,;6.14,1.49,;6.72,.49,;6.65,-.67,;7.42,.67,;6.65,2,)|

BDBM322225

CC1(C)[C@@H](NC(=O)c2cc3ccc(cc3s2)C2CC2)C2CCN1CC2 |wU:3.3,(5.11,-2.21,;5.11,-.67,;3.78,-1.44,;4.34,.67,;2.8,.67,;2.03,-.67,;2.8,-2,;.49,-.67,;-.41,-1.91,;-1.88,-1.44,;-3.21,-2.21,;-4.55,-1.44,;-4.55,.1,;-3.21,.87,;-1.88,.1,;-.41,.58,;-5.88,.87,;-7.42,.87,;-6.65,2.21,;5.11,2,;6.14,1.49,;6.72,.49,;6.65,-.67,;7.42,.67,;6.65,2,)|

BDBM322226

CC1(C)[C@H](NC(=O)c2cc3cc(ccc3s2)C2CC2)C2CCN1CC2 |wD:3.3,(5.11,-1.44,;5.11,.1,;3.78,-.67,;4.34,1.44,;2.8,1.44,;2.03,.1,;2.8,-1.23,;.49,.1,;-.41,-1.14,;-1.88,-.67,;-3.21,-1.44,;-4.55,-.67,;-4.55,.87,;-3.21,1.64,;-1.88,.87,;-.41,1.35,;-5.88,-1.44,;-6.65,-2.77,;-7.42,-1.44,;5.11,2.77,;6.14,2.26,;6.72,1.26,;6.65,.1,;7.42,1.44,;6.65,2.77,)|

BDBM322227

CC1(C)[C@@H](NC(=O)c2cc3cc(ccc3s2)C2CC2)C2CCN1CC2 |wU:3.3,(5.11,-1.44,;5.11,.1,;3.78,-.67,;4.34,1.44,;2.8,1.44,;2.03,.1,;2.8,-1.23,;.49,.1,;-.41,-1.14,;-1.88,-.67,;-3.21,-1.44,;-4.55,-.67,;-4.55,.87,;-3.21,1.64,;-1.88,.87,;-.41,1.35,;-5.88,-1.44,;-6.65,-2.77,;-7.42,-1.44,;5.11,2.77,;6.14,2.26,;6.72,1.26,;6.65,.1,;7.42,1.44,;6.65,2.77,)|

BDBM322228

COc1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:14.15,(-7.32,.21,;-5.98,.98,;-4.65,.21,;-4.65,-1.33,;-3.32,-2.1,;-1.98,-1.33,;-.52,-1.81,;.39,-.56,;-.52,.68,;-1.98,.21,;-3.32,.98,;1.93,-.56,;2.7,-1.9,;2.7,.77,;4.24,.77,;5.01,2.1,;6.04,1.59,;6.62,.59,;6.55,-.56,;7.32,.77,;6.55,2.1,;5.01,-.56,;5.01,-2.1,;3.67,-1.33,)|

BDBM322229

COc1ccc2cc(sc2c1)C(=O)N[C@H]1C2CCN(CC2)C1(C)C |wU:14.15,(-7.32,.21,;-5.98,.98,;-4.65,.21,;-4.65,-1.33,;-3.32,-2.1,;-1.98,-1.33,;-.52,-1.81,;.39,-.56,;-.52,.68,;-1.98,.21,;-3.32,.98,;1.93,-.56,;2.7,-1.9,;2.7,.77,;4.24,.77,;5.01,2.1,;6.04,1.59,;6.62,.59,;6.55,-.56,;7.32,.77,;6.55,2.1,;5.01,-.56,;5.01,-2.1,;3.67,-1.33,)|

BDBM322230

COc1ccc2sc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:14.15,(-7.32,-1.33,;-5.98,-2.1,;-4.65,-1.33,;-4.65,.21,;-3.32,.98,;-1.98,.21,;-.52,.68,;.39,-.56,;-.52,-1.81,;-1.98,-1.33,;-3.32,-2.1,;1.93,-.56,;2.7,-1.9,;2.7,.77,;4.24,.77,;5.01,2.1,;6.04,1.59,;6.62,.59,;6.55,-.56,;7.32,.77,;6.55,2.1,;5.01,-.56,;5.01,-2.1,;3.67,-1.33,)|

BDBM322231

COc1ccc2sc(cc2c1)C(=O)N[C@H]1C2CCN(CC2)C1(C)C |wU:14.15,(-7.32,-1.33,;-5.98,-2.1,;-4.65,-1.33,;-4.65,.21,;-3.32,.98,;-1.98,.21,;-.52,.68,;.39,-.56,;-.52,-1.81,;-1.98,-1.33,;-3.32,-2.1,;1.93,-.56,;2.7,-1.9,;2.7,.77,;4.24,.77,;5.01,2.1,;6.04,1.59,;6.62,.59,;6.55,-.56,;7.32,.77,;6.55,2.1,;5.01,-.56,;5.01,-2.1,;3.67,-1.33,)|

BDBM322232

CC1(C)[C@H](NC(=O)c2cc3ccoc3cn2)C2CCN1CC2 |wU:3.3,(-1.65,-1.64,;-3.19,-1.64,;-2.42,-2.98,;-3.19,-.1,;-1.85,.67,;-.52,-.1,;-.52,-1.64,;.82,.67,;2.15,-.1,;3.48,.67,;4.95,.19,;5.85,1.44,;4.95,2.68,;3.48,2.21,;2.15,2.98,;.82,2.21,;-4.52,.67,;-5.16,-.29,;-5.16,-1.45,;-4.52,-2.41,;-5.85,-1.64,;-5.85,-.1,)|

BDBM322233

CC1(C)[C@@H](NC(=O)c2cc3ccoc3cn2)C2CCN1CC2 |wD:3.3,(-1.65,-1.64,;-3.19,-1.64,;-2.42,-2.98,;-3.19,-.1,;-1.85,.67,;-.52,-.1,;-.52,-1.64,;.82,.67,;2.15,-.1,;3.48,.67,;4.95,.19,;5.85,1.44,;4.95,2.68,;3.48,2.21,;2.15,2.98,;.82,2.21,;-4.52,.67,;-5.16,-.29,;-5.16,-1.45,;-4.52,-2.41,;-5.85,-1.64,;-5.85,-.1,)|

BDBM322234

CC1(C)[C@H](NC(=O)c2cc3OCCOc3cn2)C2CCN1CC2 |wD:3.3,(-2.56,2.98,;-3.33,1.64,;-1.79,1.64,;-3.33,.1,;-2,-.67,;-.67,.1,;-.67,1.64,;.67,-.67,;2,.1,;3.33,-.67,;4.67,.1,;6,-.67,;6,-2.21,;4.67,-2.98,;3.33,-2.21,;2,-2.98,;.67,-2.21,;-4.67,-.67,;-5.3,.29,;-5.3,1.45,;-4.67,2.41,;-6,1.64,;-6,.1,)|

BDBM322235

CC1(C)[C@@H](NC(=O)c2cc3OCCOc3cn2)C2CCN1CC2 |wU:3.3,(-2.56,2.98,;-3.33,1.64,;-1.79,1.64,;-3.33,.1,;-2,-.67,;-.67,.1,;-.67,1.64,;.67,-.67,;2,.1,;3.33,-.67,;4.67,.1,;6,-.67,;6,-2.21,;4.67,-2.98,;3.33,-2.21,;2,-2.98,;.67,-2.21,;-4.67,-.67,;-5.3,.29,;-5.3,1.45,;-4.67,2.41,;-6,1.64,;-6,.1,)|

BDBM322236

Cc1csc2ccc(cc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wU:13.14,(5.42,-1.27,;4.95,.19,;5.85,1.44,;4.95,2.68,;3.48,2.21,;2.15,2.98,;.82,2.21,;.82,.67,;2.15,-.1,;3.48,.67,;-.52,-.1,;-.52,-1.64,;-1.85,.67,;-3.19,-.1,;-4.52,.67,;-5.16,-.29,;-5.16,-1.45,;-4.52,-2.41,;-5.85,-1.64,;-5.85,-.1,;-3.19,-1.64,;-1.65,-1.64,;-2.42,-2.98,)|

BDBM322237

Cc1csc2cc(ccc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(5.42,-3.56,;4.95,-2.1,;5.85,-.85,;4.95,.39,;3.48,-.08,;2.15,.69,;.82,-.08,;.82,-1.62,;2.15,-2.39,;3.48,-1.62,;-.52,.69,;-.52,2.23,;-1.85,-.08,;-3.19,.69,;-4.52,-.08,;-5.16,.88,;-5.16,2.04,;-4.52,3,;-5.85,2.23,;-5.85,.69,;-3.19,2.23,;-2.42,3.56,;-1.65,2.23,)|

BDBM322238

CC1(C)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C2CCN1CC2 |wD:3.3,(-2.42,2.98,;-3.19,1.64,;-1.65,1.64,;-3.19,.1,;-1.85,-.67,;-.52,.1,;-.52,1.64,;.82,-.67,;.82,-2.21,;2.15,-2.98,;3.48,-2.21,;4.95,-2.68,;5.85,-1.44,;4.95,-.19,;3.48,-.67,;2.15,.1,;-4.52,-.67,;-5.16,.29,;-5.16,1.45,;-4.52,2.41,;-5.85,1.64,;-5.85,.1,)|

BDBM322239

CC1(C)[C@H](NC(=O)c2cnn3ncccc23)C2CCN1CC2 |wD:3.3,(-.27,-3.07,;1.22,-2.67,;.13,-1.58,;2.3,-1.58,;1.91,-.09,;.42,.31,;-.67,-.78,;-.06,1.77,;.85,3.02,;-.06,4.26,;-1.52,3.79,;-2.86,4.56,;-4.19,3.79,;-4.19,2.25,;-2.86,1.48,;-1.52,2.25,;3.79,-1.98,;3.56,-3.11,;2.75,-3.93,;1.61,-4.16,;3.1,-4.56,;4.19,-3.47,)|

BDBM322240

CC1(C)[C@@H](NC(=O)c2cnn3ncccc23)C2CCN1CC2 |wU:3.3,(-.27,-3.07,;1.22,-2.67,;.13,-1.58,;2.3,-1.58,;1.91,-.09,;.42,.31,;-.67,-.78,;-.06,1.77,;.85,3.02,;-.06,4.26,;-1.52,3.79,;-2.86,4.56,;-4.19,3.79,;-4.19,2.25,;-2.86,1.48,;-1.52,2.25,;3.79,-1.98,;3.56,-3.11,;2.75,-3.93,;1.61,-4.16,;3.1,-4.56,;4.19,-3.47,)|

BDBM322241

CC1(C)[C@H](NC(=O)c2cc3cccnc3s2)C2CCN1CC2 |wD:3.3,(3.67,-2.1,;3.67,-.56,;2.34,-1.33,;2.9,.77,;1.36,.77,;.59,-.56,;1.36,-1.9,;-.95,-.56,;-1.85,-1.81,;-3.32,-1.33,;-4.65,-2.1,;-5.98,-1.33,;-5.98,.21,;-4.65,.98,;-3.32,.21,;-1.85,.68,;3.67,2.1,;4.71,1.59,;5.28,.59,;5.21,-.56,;5.98,.77,;5.21,2.1,)|

BDBM322242

CC1(C)[C@@H](NC(=O)c2cc3cccnc3s2)C2CCN1CC2 |wU:3.3,(3.67,-2.1,;3.67,-.56,;2.34,-1.33,;2.9,.77,;1.36,.77,;.59,-.56,;1.36,-1.9,;-.95,-.56,;-1.85,-1.81,;-3.32,-1.33,;-4.65,-2.1,;-5.98,-1.33,;-5.98,.21,;-4.65,.98,;-3.32,.21,;-1.85,.68,;3.67,2.1,;4.71,1.59,;5.28,.59,;5.21,-.56,;5.98,.77,;5.21,2.1,)|

BDBM322244

CC1(C)[C@H](NC(=O)c2nc3ccccc3s2)C2CCN1CC2 |wD:3.3,(3.67,-2.1,;3.67,-.56,;2.34,-1.33,;2.9,.77,;1.36,.77,;.59,-.56,;1.36,-1.9,;-.95,-.56,;-1.85,-1.81,;-3.32,-1.33,;-4.65,-2.1,;-5.98,-1.33,;-5.98,.21,;-4.65,.98,;-3.32,.21,;-1.85,.68,;3.67,2.1,;4.71,1.59,;5.28,.59,;5.21,-.56,;5.98,.77,;5.21,2.1,)|

BDBM322245

CC1(C)[C@@H](NC(=O)c2nc3ccccc3s2)C2CCN1CC2 |wU:3.3,(3.67,-2.1,;3.67,-.56,;2.34,-1.33,;2.9,.77,;1.36,.77,;.59,-.56,;1.36,-1.9,;-.95,-.56,;-1.85,-1.81,;-3.32,-1.33,;-4.65,-2.1,;-5.98,-1.33,;-5.98,.21,;-4.65,.98,;-3.32,.21,;-1.85,.68,;3.67,2.1,;4.71,1.59,;5.28,.59,;5.21,-.56,;5.98,.77,;5.21,2.1,)|

BDBM322246

CC1(C)[C@H](NC(=O)c2ccc3sccc3c2)C2CCN1CC2 |wU:3.3,(-1.65,-1.64,;-3.19,-1.64,;-2.42,-2.98,;-3.19,-.1,;-1.85,.67,;-.52,-.1,;-.52,-1.64,;.82,.67,;.82,2.21,;2.15,2.98,;3.48,2.21,;4.95,2.68,;5.85,1.44,;4.95,.19,;3.48,.67,;2.15,-.1,;-4.52,.67,;-5.16,-.29,;-5.16,-1.45,;-4.52,-2.41,;-5.85,-1.64,;-5.85,-.1,)|

BDBM322247

CC1(C)[C@H](NC(=O)c2ccc3ccoc3c2)C2CCN1CC2 |wD:3.3,(-2.42,2.98,;-3.19,1.64,;-1.65,1.64,;-3.19,.1,;-1.85,-.67,;-.52,.1,;-.52,1.64,;.82,-.67,;.82,-2.21,;2.15,-2.98,;3.48,-2.21,;4.95,-2.68,;5.85,-1.44,;4.95,-.19,;3.48,-.67,;2.15,.1,;-4.52,-.67,;-5.16,.29,;-5.16,1.45,;-4.52,2.41,;-5.85,1.64,;-5.85,.1,)|

BDBM322249

Cc1nc2cc(ccc2o1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wU:13.14,(6.62,1.44,;5.08,1.44,;4.18,.19,;2.71,.67,;1.38,-.1,;.05,.67,;.05,2.21,;1.38,2.98,;2.71,2.21,;4.18,2.68,;-1.29,-.1,;-1.29,-1.64,;-2.62,.67,;-3.96,-.1,;-5.29,.67,;-5.93,-.29,;-5.93,-1.45,;-5.29,-2.41,;-6.62,-1.64,;-6.62,-.1,;-3.96,-1.64,;-2.42,-1.64,;-3.19,-2.98,)|

BDBM322250

Cc1nc2ccc(cc2o1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(6.62,-1.44,;5.08,-1.44,;4.18,-2.68,;2.71,-2.21,;1.38,-2.98,;.05,-2.21,;.05,-.67,;1.38,.1,;2.71,-.67,;4.18,-.19,;-1.29,.1,;-1.29,1.64,;-2.62,-.67,;-3.96,.1,;-5.29,-.67,;-5.93,.29,;-5.93,1.45,;-5.29,2.41,;-6.62,1.64,;-6.62,.1,;-3.96,1.64,;-3.19,2.98,;-2.42,1.64,)|

BDBM322251

Cc1nc2cc(ccc2s1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wU:13.14,(6.62,1.44,;5.08,1.44,;4.18,.19,;2.71,.67,;1.38,-.1,;.05,.67,;.05,2.21,;1.38,2.98,;2.71,2.21,;4.18,2.68,;-1.29,-.1,;-1.29,-1.64,;-2.62,.67,;-3.96,-.1,;-5.29,.67,;-5.93,-.29,;-5.93,-1.45,;-5.29,-2.41,;-6.62,-1.64,;-6.62,-.1,;-3.96,-1.64,;-2.42,-1.64,;-3.19,-2.98,)|

BDBM322252

Cc1nc2ccc(cc2s1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(6.62,-1.44,;5.08,-1.44,;4.18,-2.68,;2.71,-2.21,;1.38,-2.98,;.05,-2.21,;.05,-.67,;1.38,.1,;2.71,-.67,;4.18,-.19,;-1.29,.1,;-1.29,1.64,;-2.62,-.67,;-3.96,.1,;-5.29,-.67,;-5.93,.29,;-5.93,1.45,;-5.29,2.41,;-6.62,1.64,;-6.62,.1,;-3.96,1.64,;-3.19,2.98,;-2.42,1.64,)|

BDBM322253

CC1(C)[C@H](NC(=O)c2cnc3occc3c2)C2CCN1CC2 |wU:3.3,(-1.65,-1.64,;-3.19,-1.64,;-2.42,-2.98,;-3.19,-.1,;-1.85,.67,;-.52,-.1,;-.52,-1.64,;.82,.67,;.82,2.21,;2.15,2.98,;3.48,2.21,;4.95,2.68,;5.85,1.44,;4.95,.19,;3.48,.67,;2.15,-.1,;-4.52,.67,;-5.16,-.29,;-5.16,-1.45,;-4.52,-2.41,;-5.85,-1.64,;-5.85,-.1,)|

BDBM322254

CC1(C)[C@H](NC(=O)c2ccc3occc3n2)C2CCN1CC2 |wU:3.3,(-1.65,-1.64,;-3.19,-1.64,;-2.42,-2.98,;-3.19,-.1,;-1.85,.67,;-.52,-.1,;-.52,-1.64,;.82,.67,;.82,2.21,;2.15,2.98,;3.48,2.21,;4.95,2.68,;5.85,1.44,;4.95,.19,;3.48,.67,;2.15,-.1,;-4.52,.67,;-5.16,-.29,;-5.16,-1.45,;-4.52,-2.41,;-5.85,-1.64,;-5.85,-.1,)|

BDBM322255

Cc1cc2cc(ccc2o1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wU:13.14,(6.62,1.44,;5.08,1.44,;4.18,.19,;2.71,.67,;1.38,-.1,;.05,.67,;.05,2.21,;1.38,2.98,;2.71,2.21,;4.18,2.68,;-1.29,-.1,;-1.29,-1.64,;-2.62,.67,;-3.96,-.1,;-5.29,.67,;-5.93,-.29,;-5.93,-1.45,;-5.29,-2.41,;-6.62,-1.64,;-6.62,-.1,;-3.96,-1.64,;-2.42,-1.64,;-3.19,-2.98,)|

BDBM322256

CC1(C)[C@H](NC(=O)c2ccc3oc(Cl)cc3c2)C2CCN1CC2 |wU:3.3,(-2.42,-1.64,;-3.96,-1.64,;-3.19,-2.98,;-3.96,-.1,;-2.62,.67,;-1.29,-.1,;-1.29,-1.64,;.05,.67,;.05,2.21,;1.38,2.98,;2.71,2.21,;4.18,2.68,;5.08,1.44,;6.62,1.44,;4.18,.19,;2.71,.67,;1.38,-.1,;-5.29,.67,;-5.93,-.29,;-5.93,-1.45,;-5.29,-2.41,;-6.62,-1.64,;-6.62,-.1,)|

BDBM322257

Cc1coc2ccc(cc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(5.42,1.27,;4.95,-.19,;5.85,-1.44,;4.95,-2.68,;3.48,-2.21,;2.15,-2.98,;.82,-2.21,;.82,-.67,;2.15,.1,;3.48,-.67,;-.52,.1,;-.52,1.64,;-1.85,-.67,;-3.19,.1,;-4.52,-.67,;-5.16,.29,;-5.16,1.45,;-4.52,2.41,;-5.85,1.64,;-5.85,.1,;-3.19,1.64,;-2.42,2.98,;-1.65,1.64,)|

BDBM322258

CC1(C)[C@H](NC(=O)c2ccc3occ(Cl)c3c2)C2CCN1CC2 |wD:3.3,(-2.42,2.98,;-3.19,1.64,;-1.65,1.64,;-3.19,.1,;-1.85,-.67,;-.52,.1,;-.52,1.64,;.82,-.67,;.82,-2.21,;2.15,-2.98,;3.48,-2.21,;4.95,-2.68,;5.85,-1.44,;4.95,-.19,;5.42,1.27,;3.48,-.67,;2.15,.1,;-4.52,-.67,;-5.16,.29,;-5.16,1.45,;-4.52,2.41,;-5.85,1.64,;-5.85,.1,)|

BDBM322259

Cn1cnc2cc(ccc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wU:13.14,(5.42,3.56,;4.95,2.1,;5.85,.85,;4.95,-.39,;3.48,.08,;2.15,-.69,;.82,.08,;.82,1.62,;2.15,2.39,;3.48,1.62,;-.52,-.69,;-.52,-2.23,;-1.85,.08,;-3.19,-.69,;-4.52,.08,;-5.16,-.88,;-5.16,-2.04,;-4.52,-3,;-5.85,-2.23,;-5.85,-.69,;-3.19,-2.23,;-1.65,-2.23,;-2.42,-3.56,)|

BDBM322260

CC1(C)[C@H](NC(=O)c2cc3ccsc3cn2)C2CCN1CC2 |wU:3.3,(-1.65,-1.64,;-3.19,-1.64,;-2.42,-2.98,;-3.19,-.1,;-1.85,.67,;-.52,-.1,;-.52,-1.64,;.82,.67,;2.15,-.1,;3.48,.67,;4.95,.19,;5.85,1.44,;4.95,2.68,;3.48,2.21,;2.15,2.98,;.82,2.21,;-4.52,.67,;-5.16,-.29,;-5.16,-1.45,;-4.52,-2.41,;-5.85,-1.64,;-5.85,-.1,)|

BDBM322261

CC1(C)[C@H](NC(=O)c2cc3ccc(cc3s2)N2CCOCC2)C2CCN1CC2 |wD:3.3,(5.67,-2.7,;5.67,-1.16,;4.34,-1.93,;4.9,.18,;3.36,.18,;2.59,-1.16,;3.36,-2.49,;1.05,-1.16,;.15,-2.4,;-1.32,-1.93,;-2.65,-2.7,;-3.98,-1.93,;-3.98,-.38,;-2.65,.38,;-1.32,-.38,;.15,.09,;-5.32,.38,;-5.32,1.93,;-6.65,2.7,;-7.98,1.93,;-7.98,.38,;-6.65,-.38,;5.67,1.51,;6.71,1,;7.28,-0,;7.21,-1.16,;7.98,.18,;7.21,1.51,)|

BDBM322262

CC1(C)[C@H](NC(=O)c2cc3ccc(cc3s2)N2CCC(F)(F)CC2)C2CCN1CC2 |wD:3.3,(6.44,-2.98,;6.44,-1.44,;5.11,-2.21,;5.67,-.1,;4.13,-.1,;3.36,-1.44,;4.13,-2.77,;1.82,-1.44,;.92,-2.68,;-.55,-2.21,;-1.88,-2.98,;-3.21,-2.21,;-3.21,-.67,;-1.88,.1,;-.55,-.67,;.92,-.19,;-4.55,.1,;-5.88,-.67,;-7.21,.1,;-7.21,1.64,;-7.98,2.98,;-8.75,1.64,;-5.88,2.41,;-4.55,1.64,;6.44,1.23,;7.48,.72,;8.05,-.28,;7.98,-1.44,;8.75,-.1,;7.98,1.23,)|

BDBM322263

CC1(C)[C@H](NC(=O)c2cc3ccc(Br)cc3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-5.32,.21,;-6.65,.98,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322264

CC(C)Oc1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:16.17,(-6.65,-1.33,;-6.65,.21,;-7.98,.98,;-5.32,.98,;-3.98,.21,;-3.98,-1.33,;-2.65,-2.1,;-1.32,-1.33,;.15,-1.81,;1.05,-.56,;.15,.68,;-1.32,.21,;-2.65,.98,;2.59,-.56,;3.36,-1.9,;3.36,.77,;4.9,.77,;5.67,2.1,;6.71,1.59,;7.28,.59,;7.21,-.56,;7.98,.77,;7.21,2.1,;5.67,-.56,;5.67,-2.1,;4.34,-1.33,)|

BDBM322265

CC1(C)[C@H](NC(=O)c2cc3ccc(cc3s2)S(C)(=O)=O)C2CCN1CC2 |wD:3.3,(5.01,-2.21,;5.01,-.67,;3.67,-1.44,;4.24,.67,;2.7,.67,;1.93,-.67,;2.7,-2,;.39,-.67,;-.52,-1.91,;-1.98,-1.44,;-3.32,-2.21,;-4.65,-1.44,;-4.65,.1,;-3.32,.87,;-1.98,.1,;-.52,.58,;-5.98,.87,;-7.32,1.64,;-5.21,2.21,;-6.75,-.46,;5.01,2,;6.04,1.49,;6.62,.49,;6.55,-.67,;7.32,.67,;6.55,2,)|

BDBM322266

CC1(C)[C@H](NC(=O)c2cc3ccc(N)cc3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-5.32,.21,;-6.65,.98,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322267

CC1(C)[C@H](NC(=O)c2cc3ccc(cc3s2)C2CCOCC2)C2CCN1CC2 |wD:3.3,(5.67,-2.7,;5.67,-1.16,;4.34,-1.93,;4.9,.18,;3.36,.18,;2.59,-1.16,;3.36,-2.49,;1.05,-1.16,;.15,-2.4,;-1.32,-1.93,;-2.65,-2.7,;-3.98,-1.93,;-3.98,-.38,;-2.65,.38,;-1.32,-.38,;.15,.09,;-5.32,.38,;-5.32,1.93,;-6.65,2.7,;-7.98,1.93,;-7.98,.38,;-6.65,-.38,;5.67,1.51,;6.71,1,;7.28,-0,;7.21,-1.16,;7.98,.18,;7.21,1.51,)|

BDBM322268

COc1ccc2cc(sc2c1F)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-7.32,,;-5.98,.77,;-4.65,,;-4.65,-1.54,;-3.32,-2.31,;-1.98,-1.54,;-.52,-2.02,;.39,-.77,;-.52,.48,;-1.98,,;-3.32,.77,;-3.32,2.31,;1.93,-.77,;2.7,-2.1,;2.7,.56,;4.24,.56,;5.01,1.9,;6.04,1.38,;6.62,.38,;6.55,-.77,;7.32,.56,;6.55,1.9,;5.01,-.77,;5.01,-2.31,;3.67,-1.54,)|

BDBM322269

Cc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:14.15,(-6.65,.77,;-5.32,,;-5.32,-1.54,;-3.98,-2.31,;-2.65,-1.54,;-1.18,-2.02,;-.28,-.77,;-1.18,.48,;-2.65,,;-3.98,.77,;-3.98,2.31,;1.26,-.77,;2.03,-2.1,;2.03,.56,;3.57,.56,;4.34,1.9,;5.37,1.38,;5.95,.38,;5.88,-.77,;6.65,.56,;5.88,1.9,;4.34,-.77,;4.34,-2.31,;3.01,-1.54,)|

BDBM322270

Cc1ccc2cc(sc2c1F)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:14.15,(-6.65,.77,;-5.32,,;-5.32,-1.54,;-3.98,-2.31,;-2.65,-1.54,;-1.18,-2.02,;-.28,-.77,;-1.18,.48,;-2.65,,;-3.98,.77,;-3.98,2.31,;1.26,-.77,;2.03,-2.1,;2.03,.56,;3.57,.56,;4.34,1.9,;5.37,1.38,;5.95,.38,;5.88,-.77,;6.65,.56,;5.88,1.9,;4.34,-.77,;4.34,-2.31,;3.01,-1.54,)|

BDBM322271

O=C(NC1C2CCN(CC2)C11CC1)c1cc2ccccc2s1

BDBM322273

Clc1ccc(cc1)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322274

Clc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322275

Fc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322277

O=C(NC1C2CCN(CC2)C11CC1)c1ccc2ccsc2c1

BDBM322278

O=C(NC1C2CCN(CC2)C11CC1)c1ccc2occc2c1

BDBM322279

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1ccc2occc2c1

BDBM322280

FC(F)(F)c1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322282

Fc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322283

Nc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322285

Fc1ccc2sc(cc2c1)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322286

Clc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322288

Clc1ccc2sc(cc2c1)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322290

Clc1cc2cc(sc2cc1Cl)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322292

Cc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322294

Cc1ccc2sc(cc2c1)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322296

FC(F)(F)c1ccc2sc(cc2c1)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322298

O=C(NC1C2CCN(CC2)C11CC1)c1cc2ccc(cc2s1)C1CC1

BDBM322300

O=C(NC1C2CCN(CC2)C11CC1)c1cc2cc(ccc2s1)C1CC1

BDBM322302

COc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322304

COc1ccc2sc(cc2c1)C(=O)NC1C2CCN(CC2)C11CC1

BDBM322306

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccoc2cn1

BDBM322307

O=C(N[C@H]1C2CCN(CC2)C11CC1)c1cc2ccoc2cn1

BDBM322309

O=C(N[C@H]1C2CCN(CC2)C11CC1)c1cc2OCCOc2cn1

BDBM322310

Cc1csc2ccc(cc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322311

Cc1csc2cc(ccc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322312

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1ccc2cc[nH]c2c1

BDBM322313

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cnn2ncccc12

BDBM322314

O=C(N[C@H]1C2CCN(CC2)C11CC1)c1cnn2ncccc12

BDBM322315

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccnc2s1

BDBM322316

O=C(N[C@H]1C2CCN(CC2)C11CC1)c1cc2cccnc2s1

BDBM322317

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1nc2ccccc2s1

BDBM322318

O=C(N[C@H]1C2CCN(CC2)C11CC1)c1nc2ccccc2s1

BDBM322319

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1ccc2sccc2c1

BDBM322320

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1ccc2ccoc2c1

BDBM322321

Cc1nc2cc(ccc2o1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322322

Cc1nc2ccc(cc2o1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322323

Cc1nc2cc(ccc2s1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322324

Cc1nc2ccc(cc2s1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322325

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cnc2occc2c1

BDBM322326

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1ccc2occc2n1

BDBM322327

Cc1cc2cc(ccc2o1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322328

Clc1cc2cc(ccc2o1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322329

Cc1coc2ccc(cc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322330

Clc1coc2ccc(cc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322331

Cn1cnc2cc(ccc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322332

Cn1cnc2ccc(cc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322333

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccsc2cn1

BDBM322334

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccc(cc2s1)-n1ccnn1

BDBM322335

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccc(cc2s1)N1CCOCC1

BDBM322336

FC1(F)CCN(CC1)c1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322337

Brc1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322338

CC(C)Oc1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322339

CS(=O)(=O)c1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322340

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccc(cc2s1)C#N

BDBM322341

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccc(cc2s1)C1CCOCC1

BDBM322342

Cc1ccc2cc(sc2c1F)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322343

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1ccc2OCCOc2c1

BDBM322344

CC1(C)[C@H](NC(=O)c2cc3cnc(N)nc3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-5.32,.21,;-6.65,.98,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322345

CC1(C)[C@H](NC(=O)c2cc3ccc(Cl)c(Cl)c3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.31,;4.34,-.77,;3.01,-1.54,;3.57,.56,;2.03,.56,;1.26,-.77,;2.03,-2.1,;-.28,-.77,;-1.18,-2.02,;-2.65,-1.54,;-3.98,-2.31,;-5.32,-1.54,;-5.32,,;-6.65,.77,;-3.98,.77,;-3.98,2.31,;-2.65,,;-1.18,.48,;4.34,1.9,;5.37,1.38,;5.95,.38,;5.88,-.77,;6.65,.56,;5.88,1.9,)|

BDBM322346

CC1(C)[C@H](NC(=O)c2cc3ccc(Cl)c(F)c3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.31,;4.34,-.77,;3.01,-1.54,;3.57,.56,;2.03,.56,;1.26,-.77,;2.03,-2.1,;-.28,-.77,;-1.18,-2.02,;-2.65,-1.54,;-3.98,-2.31,;-5.32,-1.54,;-5.32,,;-6.65,.77,;-3.98,.77,;-3.98,2.31,;-2.65,,;-1.18,.48,;4.34,1.9,;5.37,1.38,;5.95,.38,;5.88,-.77,;6.65,.56,;5.88,1.9,)|

BDBM322347

CC1(C)[C@H](NC(=O)c2cc3ccc(Cl)c(c3s2)C(F)(F)F)C2CCN1CC2 |wD:3.3,(4.34,-3.08,;4.34,-1.54,;3.01,-2.31,;3.57,-.21,;2.03,-.21,;1.26,-1.54,;2.03,-2.87,;-.28,-1.54,;-1.18,-2.79,;-2.65,-2.31,;-3.98,-3.08,;-5.32,-2.31,;-5.32,-.77,;-6.65,,;-3.98,,;-2.65,-.77,;-1.18,-.29,;-3.98,1.54,;-2.65,2.31,;-3.98,3.08,;-5.32,2.31,;4.34,1.13,;5.37,.61,;5.95,-.39,;5.88,-1.54,;6.65,-.21,;5.88,1.13,)|

BDBM322348

COc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-7.32,,;-5.98,.77,;-4.65,,;-4.65,-1.54,;-3.32,-2.31,;-1.98,-1.54,;-.52,-2.02,;.39,-.77,;-.52,.48,;-1.98,,;-3.32,.77,;-3.32,2.31,;1.93,-.77,;2.7,-2.1,;2.7,.56,;4.24,.56,;5.01,1.9,;6.04,1.38,;6.62,.38,;6.55,-.77,;7.32,.56,;6.55,1.9,;5.01,-.77,;5.01,-2.31,;3.67,-1.54,)|

BDBM322349

Cc1ccc2cc(sc2c1C(F)(F)F)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:17.18,(-6.65,,;-5.32,-.77,;-5.32,-2.31,;-3.98,-3.08,;-2.65,-2.31,;-1.18,-2.79,;-.28,-1.54,;-1.18,-.29,;-2.65,-.77,;-3.98,,;-3.98,1.54,;-2.65,2.31,;-3.98,3.08,;-5.32,2.31,;1.26,-1.54,;2.03,-2.87,;2.03,-.21,;3.57,-.21,;4.34,1.13,;5.37,.61,;5.95,-.39,;5.88,-1.54,;6.65,-.21,;5.88,1.13,;4.34,-1.54,;4.34,-3.08,;3.01,-2.31,)|

BDBM322350

CC1(C)[C@H](NC(=O)c2cc3ccc(F)c(Cl)c3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.31,;4.34,-.77,;3.01,-1.54,;3.57,.56,;2.03,.56,;1.26,-.77,;2.03,-2.1,;-.28,-.77,;-1.18,-2.02,;-2.65,-1.54,;-3.98,-2.31,;-5.32,-1.54,;-5.32,,;-6.65,.77,;-3.98,.77,;-3.98,2.31,;-2.65,,;-1.18,.48,;4.34,1.9,;5.37,1.38,;5.95,.38,;5.88,-.77,;6.65,.56,;5.88,1.9,)|

BDBM322351

CC1(C)[C@H](NC(=O)c2cc3cccc(C#N)c3s2)C2CCN1CC2 |wD:3.3,(3.67,-3.08,;3.67,-1.54,;2.34,-2.31,;2.9,-.21,;1.36,-.21,;.59,-1.54,;1.36,-2.87,;-.95,-1.54,;-1.85,-2.79,;-3.32,-2.31,;-4.65,-3.08,;-5.98,-2.31,;-5.98,-.77,;-4.65,,;-4.65,1.54,;-4.65,3.08,;-3.32,-.77,;-1.85,-.29,;3.67,1.13,;4.71,.61,;5.28,-.39,;5.21,-1.54,;5.98,-.21,;5.21,1.13,)|

BDBM322352

COc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:14.15,(-5.98,2.7,;-4.65,1.93,;-4.65,.38,;-5.98,-.38,;-5.98,-1.93,;-4.65,-2.7,;-3.32,-1.93,;-1.85,-2.4,;-.95,-1.16,;-1.85,.09,;-3.32,-.38,;.59,-1.16,;1.36,-2.49,;1.36,.18,;2.9,.18,;3.67,1.51,;4.71,1,;5.28,-0,;5.21,-1.16,;5.98,.18,;5.21,1.51,;3.67,-1.16,;3.67,-2.7,;2.34,-1.93,)|

BDBM322353

CC1(C)[C@H](NC(=O)c2cc3ccc(F)c(F)c3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.31,;4.34,-.77,;3.01,-1.54,;3.57,.56,;2.03,.56,;1.26,-.77,;2.03,-2.1,;-.28,-.77,;-1.18,-2.02,;-2.65,-1.54,;-3.98,-2.31,;-5.32,-1.54,;-5.32,,;-6.65,.77,;-3.98,.77,;-3.98,2.31,;-2.65,,;-1.18,.48,;4.34,1.9,;5.37,1.38,;5.95,.38,;5.88,-.77,;6.65,.56,;5.88,1.9,)|

BDBM322354

CC1(C)[C@H](NC(=O)c2cc3cccc(C4CC4)c3s2)C2CCN1CC2 |wD:3.3,(3.67,-2.98,;3.67,-1.44,;2.34,-2.21,;2.9,-.1,;1.36,-.1,;.59,-1.44,;1.36,-2.77,;-.95,-1.44,;-1.85,-2.68,;-3.32,-2.21,;-4.65,-2.98,;-5.98,-2.21,;-5.98,-.67,;-4.65,.1,;-4.65,1.64,;-5.42,2.98,;-3.88,2.98,;-3.32,-.67,;-1.85,-.19,;3.67,1.23,;4.71,.72,;5.28,-.28,;5.21,-1.44,;5.98,-.1,;5.21,1.23,)|

BDBM322355

CC(C)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-3.32,2.7,;-4.65,1.93,;-5.98,2.7,;-4.65,.38,;-5.98,-.38,;-5.98,-1.93,;-4.65,-2.7,;-3.32,-1.93,;-1.85,-2.4,;-.95,-1.16,;-1.85,.09,;-3.32,-.38,;.59,-1.16,;1.36,-2.49,;1.36,.18,;2.9,.18,;3.67,1.51,;4.71,1,;5.28,-0,;5.21,-1.16,;5.98,.18,;5.21,1.51,;3.67,-1.16,;3.67,-2.7,;2.34,-1.93,)|

BDBM322356

FC(F)(F)Oc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322357

CC1(C)[C@H](NC(=O)c2cc3cccc(C4CCOCC4)c3s2)C2CCN1CC2 |wD:3.3,(3.67,-3.85,;3.67,-2.31,;2.34,-3.08,;2.9,-.98,;1.36,-.98,;.59,-2.31,;1.36,-3.64,;-.95,-2.31,;-1.85,-3.56,;-3.32,-3.08,;-4.65,-3.85,;-5.98,-3.08,;-5.98,-1.54,;-4.65,-.77,;-4.65,.77,;-3.32,1.54,;-3.32,3.08,;-4.65,3.85,;-5.98,3.08,;-5.98,1.54,;-3.32,-1.54,;-1.85,-1.06,;3.67,.36,;4.71,-.16,;5.28,-1.16,;5.21,-2.31,;5.98,-.98,;5.21,.36,)|

BDBM322358

CC1(C)[C@H](NC(=O)c2cc3ccccc3[nH]2)C2CCN1CC2 |wD:3.3,(3.67,-2.1,;3.67,-.56,;2.34,-1.33,;2.9,.77,;1.36,.77,;.59,-.56,;1.36,-1.9,;-.95,-.56,;-1.85,-1.81,;-3.32,-1.33,;-4.65,-2.1,;-5.98,-1.33,;-5.98,.21,;-4.65,.98,;-3.32,.21,;-1.85,.68,;3.67,2.1,;4.71,1.59,;5.28,.59,;5.21,-.56,;5.98,.77,;5.21,2.1,)|

BDBM322359

CC1(C)[C@H](NC(=O)c2cc3cc(F)c(Cl)cc3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-6.65,-2.1,;-5.32,.21,;-6.65,.98,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322360

COc1cc2sc(cc2cc1F)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-7.32,.21,;-5.98,.98,;-4.65,.21,;-3.32,.98,;-1.98,.21,;-.52,.68,;.39,-.56,;-.52,-1.81,;-1.98,-1.33,;-3.32,-2.1,;-4.65,-1.33,;-5.98,-2.1,;1.93,-.56,;2.7,-1.9,;2.7,.77,;4.24,.77,;5.01,2.1,;6.04,1.59,;6.62,.59,;6.55,-.56,;7.32,.77,;6.55,2.1,;5.01,-.56,;5.01,-2.1,;3.67,-1.33,)|

BDBM322361

CC1(C)[C@H](NC(=O)c2cc3cc(F)c(Cl)c(F)c3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.31,;4.34,-.77,;3.01,-1.54,;3.57,.56,;2.03,.56,;1.26,-.77,;2.03,-2.1,;-.28,-.77,;-1.18,-2.02,;-2.65,-1.54,;-3.98,-2.31,;-5.32,-1.54,;-6.65,-2.31,;-5.32,,;-6.65,.77,;-3.98,.77,;-3.98,2.31,;-2.65,,;-1.18,.48,;4.34,1.9,;5.37,1.38,;5.95,.38,;5.88,-.77,;6.65,.56,;5.88,1.9,)|

BDBM322362

Cc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(-4.65,2.31,;-4.65,.77,;-5.98,,;-5.98,-1.54,;-4.65,-2.31,;-3.32,-1.54,;-1.85,-2.02,;-.95,-.77,;-1.85,.48,;-3.32,,;.59,-.77,;1.36,-2.1,;1.36,.56,;2.9,.56,;3.67,1.9,;4.71,1.38,;5.28,.38,;5.21,-.77,;5.98,.56,;5.21,1.9,;3.67,-.77,;3.67,-2.31,;2.34,-1.54,)|

BDBM322363

CC1(C)[C@H](NC(=O)c2cc3cccc(CC(F)(F)F)c3s2)C2CCN1CC2 |wD:3.3,(4.34,-3.46,;4.34,-1.93,;3.01,-2.7,;3.57,-.59,;2.03,-.59,;1.26,-1.93,;2.03,-3.26,;-.28,-1.93,;-1.18,-3.17,;-2.65,-2.7,;-3.98,-3.46,;-5.32,-2.7,;-5.32,-1.16,;-3.98,-.38,;-3.98,1.16,;-5.32,1.93,;-6.65,2.7,;-6.65,1.16,;-5.32,3.46,;-2.65,-1.16,;-1.18,-.68,;4.34,.74,;5.37,.23,;5.95,-.77,;5.88,-1.93,;6.65,-.59,;5.88,.74,)|

BDBM322364

CN(C)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-3.32,2.7,;-4.65,1.93,;-5.98,2.7,;-4.65,.38,;-5.98,-.38,;-5.98,-1.93,;-4.65,-2.7,;-3.32,-1.93,;-1.85,-2.4,;-.95,-1.16,;-1.85,.09,;-3.32,-.38,;.59,-1.16,;1.36,-2.49,;1.36,.18,;2.9,.18,;3.67,1.51,;4.71,1,;5.28,-0,;5.21,-1.16,;5.98,.18,;5.21,1.51,;3.67,-1.16,;3.67,-2.7,;2.34,-1.93,)|

BDBM322365

CC1(C)[C@H](NC(=O)c2cc3cccc(-c4nccs4)c3s2)C2CCN1CC2 |wD:3.3,(3.67,-3.49,;3.67,-1.95,;2.34,-2.72,;2.9,-.62,;1.36,-.62,;.59,-1.95,;1.36,-3.29,;-.95,-1.95,;-1.85,-3.2,;-3.32,-2.72,;-4.65,-3.49,;-5.98,-2.72,;-5.98,-1.18,;-4.65,-.41,;-4.65,1.13,;-5.9,2.03,;-5.42,3.49,;-3.88,3.49,;-3.4,2.03,;-3.32,-1.18,;-1.85,-.71,;3.67,.71,;4.71,.2,;5.28,-.8,;5.21,-1.95,;5.98,-.62,;5.21,.71,)|

BDBM322366

CC1(C)[C@H](NC(=O)c2cc3ccccc3cn2)C2CCN1CC2 |wD:3.3,(2.56,-2.98,;3.33,-1.64,;1.79,-1.64,;3.33,-.1,;2,.67,;.67,-.1,;.67,-1.64,;-.67,.67,;-2,-.1,;-3.33,.67,;-4.67,-.1,;-6,.67,;-6,2.21,;-4.67,2.98,;-3.33,2.21,;-2,2.98,;-.67,2.21,;4.67,.67,;5.3,-.29,;5.3,-1.45,;4.67,-2.41,;6,-1.64,;6,-.1,)|

BDBM322367

CC(C)(C)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:16.17,(-4.65,3.08,;-4.65,1.54,;-3.32,2.31,;-5.98,2.31,;-4.65,,;-5.98,-.77,;-5.98,-2.31,;-4.65,-3.08,;-3.32,-2.31,;-1.85,-2.79,;-.95,-1.54,;-1.85,-.29,;-3.32,-.77,;.59,-1.54,;1.36,-2.87,;1.36,-.21,;2.9,-.21,;3.67,1.13,;4.71,.61,;5.28,-.39,;5.21,-1.54,;5.98,-.21,;5.21,1.13,;3.67,-1.54,;3.67,-3.08,;2.34,-2.31,)|

BDBM322368

CC1(C)[C@H](NC(=O)c2cc3cccc(-c4ccccc4)c3s2)C2CCN1CC2 |wD:3.3,(3.67,-3.85,;3.67,-2.31,;2.34,-3.08,;2.9,-.98,;1.36,-.98,;.59,-2.31,;1.36,-3.64,;-.95,-2.31,;-1.85,-3.56,;-3.32,-3.08,;-4.65,-3.85,;-5.98,-3.08,;-5.98,-1.54,;-4.65,-.77,;-4.65,.77,;-5.98,1.54,;-5.98,3.08,;-4.65,3.85,;-3.32,3.08,;-3.32,1.54,;-3.32,-1.54,;-1.85,-1.06,;3.67,.36,;4.71,-.16,;5.28,-1.16,;5.21,-2.31,;5.98,-.98,;5.21,.36,)|

BDBM322369

CC1(CC1)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:16.18,(-3.32,.77,;-4.65,1.54,;-5.98,2.31,;-4.65,3.08,;-4.65,,;-5.98,-.77,;-5.98,-2.31,;-4.65,-3.08,;-3.32,-2.31,;-1.85,-2.79,;-.95,-1.54,;-1.85,-.29,;-3.32,-.77,;.59,-1.54,;1.36,-2.87,;1.36,-.21,;2.9,-.21,;3.67,1.13,;4.71,.61,;5.28,-.39,;5.21,-1.54,;5.98,-.21,;5.21,1.13,;3.67,-1.54,;3.67,-3.08,;2.34,-2.31,)|

BDBM322370

CCOc1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-7.98,.98,;-6.65,.21,;-5.32,.98,;-3.98,.21,;-3.98,-1.33,;-2.65,-2.1,;-1.32,-1.33,;.15,-1.81,;1.05,-.56,;.15,.68,;-1.32,.21,;-2.65,.98,;2.59,-.56,;3.36,-1.9,;3.36,.77,;4.9,.77,;5.67,2.1,;6.71,1.59,;7.28,.59,;7.21,-.56,;7.98,.77,;7.21,2.1,;5.67,-.56,;5.67,-2.1,;4.34,-1.33,)|

BDBM322371

CCOc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-5.98,3.46,;-5.98,1.93,;-4.65,1.16,;-4.65,-.38,;-5.98,-1.16,;-5.98,-2.7,;-4.65,-3.46,;-3.32,-2.7,;-1.85,-3.17,;-.95,-1.93,;-1.85,-.68,;-3.32,-1.16,;.59,-1.93,;1.36,-3.26,;1.36,-.59,;2.9,-.59,;3.67,.74,;4.71,.23,;5.28,-.77,;5.21,-1.93,;5.98,-.59,;5.21,.74,;3.67,-1.93,;3.67,-3.46,;2.34,-2.7,)|

BDBM322372

CC(C)Oc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:16.17,(-6.65,1.16,;-5.32,1.93,;-5.32,3.46,;-3.98,1.16,;-3.98,-.38,;-5.32,-1.16,;-5.32,-2.7,;-3.98,-3.46,;-2.65,-2.7,;-1.18,-3.17,;-.28,-1.93,;-1.18,-.68,;-2.65,-1.16,;1.26,-1.93,;2.03,-3.26,;2.03,-.59,;3.57,-.59,;4.34,.74,;5.37,.23,;5.95,-.77,;5.88,-1.93,;6.65,-.59,;5.88,.74,;4.34,-1.93,;4.34,-3.46,;3.01,-2.7,)|

BDBM322373

COc1c(Cl)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-5.32,2.7,;-3.98,1.93,;-3.98,.38,;-5.32,-.38,;-6.65,.38,;-5.32,-1.93,;-3.98,-2.7,;-2.65,-1.93,;-1.18,-2.4,;-.28,-1.16,;-1.18,.09,;-2.65,-.38,;1.26,-1.16,;2.03,-2.49,;2.03,.18,;3.57,.18,;4.34,1.51,;5.37,1,;5.95,-0,;5.88,-1.16,;6.65,.18,;5.88,1.51,;4.34,-1.16,;4.34,-2.7,;3.01,-1.93,)|

BDBM322374

COc1c(C)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-5.32,2.7,;-3.98,1.93,;-3.98,.38,;-5.32,-.38,;-6.65,.38,;-5.32,-1.93,;-3.98,-2.7,;-2.65,-1.93,;-1.18,-2.4,;-.28,-1.16,;-1.18,.09,;-2.65,-.38,;1.26,-1.16,;2.03,-2.49,;2.03,.18,;3.57,.18,;4.34,1.51,;5.37,1,;5.95,-0,;5.88,-1.16,;6.65,.18,;5.88,1.51,;4.34,-1.16,;4.34,-2.7,;3.01,-1.93,)|

BDBM322375

CC1(C)[C@H](NC(=O)c2n[nH]c3ccccc23)C2CCN1CC2 |wU:3.3,(.13,1.67,;1.27,2.7,;-.19,3.17,;2.3,1.55,;1.83,.09,;.32,-.23,;-.71,.91,;-.15,-1.7,;.75,-2.94,;-.15,-4.19,;-1.62,-3.71,;-2.95,-4.48,;-4.29,-3.71,;-4.29,-2.17,;-2.95,-1.4,;-1.62,-2.17,;3.81,1.87,;3.64,3.01,;2.87,3.87,;1.75,4.16,;3.26,4.48,;4.29,3.34,)|

BDBM322376

CC1(C)[C@@H](NC(=O)c2n[nH]c3ccccc23)C2CCN1CC2 |wD:3.3,(.13,1.67,;1.27,2.7,;-.19,3.17,;2.3,1.55,;1.83,.09,;.32,-.23,;-.71,.91,;-.15,-1.7,;.75,-2.94,;-.15,-4.19,;-1.62,-3.71,;-2.95,-4.48,;-4.29,-3.71,;-4.29,-2.17,;-2.95,-1.4,;-1.62,-2.17,;3.81,1.87,;3.64,3.01,;2.87,3.87,;1.75,4.16,;3.26,4.48,;4.29,3.34,)|

BDBM322377

Cc1ccc2cc(sc2c1C1CC1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:16.18,(-6.65,.1,;-5.32,-.67,;-5.32,-2.21,;-3.98,-2.98,;-2.65,-2.21,;-1.18,-2.68,;-.28,-1.44,;-1.18,-.19,;-2.65,-.67,;-3.98,.1,;-3.98,1.64,;-4.75,2.98,;-3.21,2.98,;1.26,-1.44,;2.03,-2.77,;2.03,-.1,;3.57,-.1,;4.34,1.23,;5.37,.72,;5.95,-.28,;5.88,-1.44,;6.65,-.1,;5.88,1.23,;4.34,-1.44,;4.34,-2.98,;3.01,-2.21,)|

BDBM322378

COc1c(F)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-5.32,2.7,;-3.98,1.93,;-3.98,.38,;-5.32,-.38,;-6.65,.38,;-5.32,-1.93,;-3.98,-2.7,;-2.65,-1.93,;-1.18,-2.4,;-.28,-1.16,;-1.18,.09,;-2.65,-.38,;1.26,-1.16,;2.03,-2.49,;2.03,.18,;3.57,.18,;4.34,1.51,;5.37,1,;5.95,-0,;5.88,-1.16,;6.65,.18,;5.88,1.51,;4.34,-1.16,;4.34,-2.7,;3.01,-1.93,)|

BDBM322379

Cc1ccc2cc(sc2c1C#N)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-6.65,,;-5.32,-.77,;-5.32,-2.31,;-3.98,-3.08,;-2.65,-2.31,;-1.18,-2.79,;-.28,-1.54,;-1.18,-.29,;-2.65,-.77,;-3.98,,;-3.98,1.54,;-3.98,3.08,;1.26,-1.54,;2.03,-2.87,;2.03,-.21,;3.57,-.21,;4.34,1.13,;5.37,.61,;5.95,-.39,;5.88,-1.54,;6.65,-.21,;5.88,1.13,;4.34,-1.54,;4.34,-3.08,;3.01,-2.31,)|

BDBM322380

COCc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-5.98,3.46,;-5.98,1.93,;-4.65,1.16,;-4.65,-.38,;-5.98,-1.16,;-5.98,-2.7,;-4.65,-3.46,;-3.32,-2.7,;-1.85,-3.17,;-.95,-1.93,;-1.85,-.68,;-3.32,-1.16,;.59,-1.93,;1.36,-3.26,;1.36,-.59,;2.9,-.59,;3.67,.74,;4.71,.23,;5.28,-.77,;5.21,-1.93,;5.98,-.59,;5.21,.74,;3.67,-1.93,;3.67,-3.46,;2.34,-2.7,)|

BDBM322381

CC1(C)[C@H](NC(=O)c2cc3ccc4CCCOc4c3s2)C2CCN1CC2 |wU:3.3,(1.21,2.94,;2.54,3.71,;1.21,4.48,;3.31,2.37,;2.54,1.04,;1,1.04,;.23,2.37,;.23,-.29,;.86,-1.7,;-.29,-2.73,;-.29,-4.27,;-1.62,-5.04,;-2.95,-4.27,;-4.29,-5.04,;-5.62,-4.27,;-5.62,-2.73,;-4.29,-1.96,;-2.95,-2.73,;-1.62,-1.96,;-1.3,-.45,;4.85,2.37,;4.92,3.52,;4.34,4.53,;3.31,5.04,;4.85,5.04,;5.62,3.71,)|

BDBM322382

CC1(C)[C@H](NC(=O)c2cc3ccc4OCCCc4c3s2)C2CCN1CC2 |wU:3.3,(1.21,2.94,;2.54,3.71,;1.21,4.48,;3.31,2.37,;2.54,1.04,;1,1.04,;.23,2.37,;.23,-.29,;.86,-1.7,;-.29,-2.73,;-.29,-4.27,;-1.62,-5.04,;-2.95,-4.27,;-4.29,-5.04,;-5.62,-4.27,;-5.62,-2.73,;-4.29,-1.96,;-2.95,-2.73,;-1.62,-1.96,;-1.3,-.45,;4.85,2.37,;4.92,3.52,;4.34,4.53,;3.31,5.04,;4.85,5.04,;5.62,3.71,)|

BDBM322383

Cc1cc2ccc(cc2s1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(5.08,-1.44,;3.54,-1.44,;2.64,-2.68,;1.17,-2.21,;-.16,-2.98,;-1.49,-2.21,;-1.49,-.67,;-.16,.1,;1.17,-.67,;2.64,-.19,;-2.83,.1,;-2.83,1.64,;-4.16,-.67,;-5.5,.1,;-6.83,-.67,;-7.47,.29,;-7.47,1.45,;-6.83,2.41,;-8.16,1.64,;-8.16,.1,;-5.5,1.64,;-4.73,2.98,;-3.96,1.64,)|

BDBM322384

CC1(C)[C@H](NC(=O)c2ccc3cc(Cl)sc3c2)C2CCN1CC2 |wD:3.3,(-3.19,2.98,;-3.96,1.64,;-2.42,1.64,;-3.96,.1,;-2.62,-.67,;-1.29,.1,;-1.29,1.64,;.05,-.67,;.05,-2.21,;1.38,-2.98,;2.71,-2.21,;4.18,-2.68,;5.08,-1.44,;6.62,-1.44,;4.18,-.19,;2.71,-.67,;1.38,.1,;-5.29,-.67,;-5.93,.29,;-5.93,1.45,;-5.29,2.41,;-6.62,1.64,;-6.62,.1,)|

BDBM322385

Cc1c(Cl)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:14.15,(-3.98,2.31,;-3.98,.77,;-5.32,,;-6.65,.77,;-5.32,-1.54,;-3.98,-2.31,;-2.65,-1.54,;-1.18,-2.02,;-.28,-.77,;-1.18,.48,;-2.65,,;1.26,-.77,;2.03,-2.1,;2.03,.56,;3.57,.56,;4.34,1.9,;5.37,1.38,;5.95,.38,;5.88,-.77,;6.65,.56,;5.88,1.9,;4.34,-.77,;4.34,-2.31,;3.01,-1.54,)|

BDBM322386

Nc1ncc2cc(sc2n1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322387

Clc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322388

Fc1c(Cl)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322389

FC(F)(F)c1c(Cl)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322390

Fc1ccc2cc(sc2c1C(F)(F)F)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322391

COc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322392

COc1ccc2cc(sc2c1F)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322393

Cc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322398

Cc1ccc2cc(sc2c1C(F)(F)F)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322399

Fc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322400

Fc1c(ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1)C1CC1

BDBM322401

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(C#N)c2s1

BDBM322402

COc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322403

Fc1ccc2cc(sc2c1F)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322404

Clc1ccc2cc(oc2c1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322405

Clc1cccc2cc(oc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322406

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(C3CC3)c2s1

BDBM322407

CC(C)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322413

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(C3CCOCC3)c2s1

BDBM322414

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1nc2ccccc2o1

BDBM322415

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccccc2[nH]1

BDBM322416

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccncc2s1

BDBM322417

Fc1cc2cc(sc2cc1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322418

COc1cc2sc(cc2cc1F)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322419

Fc1cc2cc(sc2cc1F)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322421

Fc1cc2cc(sc2c(F)c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322422

Cc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322423

FC(F)(F)Cc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322424

CN(C)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322425

CS(=O)(=O)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322426

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(N3CCOCC3)c2s1

BDBM322427

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(-c3nccs3)c2s1

BDBM322428

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccccc2cn1

BDBM322429

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1ccc2oc(cc2c1)C1CC1

BDBM322430

CC(C)(C)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322431

CC(C)(O)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322432

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(-c3ccccc3)c2s1

BDBM322433

FC(F)(F)C1(CC1)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322434

CC1(CC1)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322435

CCOc1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322436

CCOc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322437

CC(C)Oc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322438

COc1c(Cl)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322439

COc1c(C)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322440

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1n[nH]c2ccccc12

BDBM322441

O=C(N[C@H]1C2CCN(CC2)C11CC1)c1n[nH]c2ccccc12

BDBM322442

Cn1ccc2ccc(cc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322443

Cc1ccc2cc(sc2c1C1CC1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322444

COc1c(F)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322445

Cc1ccc2cc(sc2c1C#N)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322446

COCc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322447

COCc1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322448

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccc3CCCOc3c2s1

BDBM322449

Cc1cc2ccc(cc2s1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322450

Clc1cc2ccc(cc2s1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322451

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccc3OCCCc3c2s1

BDBM322452

Cc1c(Cl)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322453

Cn1cnc2ccc(cc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(5.42,1.27,;4.95,-.19,;5.85,-1.44,;4.95,-2.68,;3.48,-2.21,;2.15,-2.98,;.82,-2.21,;.82,-.67,;2.15,.1,;3.48,-.67,;-.52,.1,;-.52,1.64,;-1.85,-.67,;-3.19,.1,;-4.52,-.67,;-5.16,.29,;-5.16,1.45,;-4.52,2.41,;-5.85,1.64,;-5.85,.1,;-3.19,1.64,;-2.42,2.98,;-1.65,1.64,)|

BDBM322454

CC(C)(C)c1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:16.17,(-7.32,1.54,;-5.98,.77,;-5.98,2.31,;-7.32,,;-4.65,,;-4.65,-1.54,;-3.32,-2.31,;-1.98,-1.54,;-.52,-2.02,;.39,-.77,;-.52,.48,;-1.98,,;-3.32,.77,;1.93,-.77,;2.7,-2.1,;2.7,.56,;4.24,.56,;5.01,1.9,;6.04,1.38,;6.62,.38,;6.55,-.77,;7.32,.56,;6.55,1.9,;5.01,-.77,;5.01,-2.31,;3.67,-1.54,)|

BDBM322455

CC1(C)[C@H](NC(=O)c2cc3ccc(cc3s2)-n2ccnn2)C2CCN1CC2 |wD:3.3,(5.56,-2.47,;5.56,-.93,;4.23,-1.7,;4.79,.41,;3.25,.41,;2.48,-.93,;3.25,-2.26,;.94,-.93,;.03,-2.17,;-1.43,-1.7,;-2.76,-2.47,;-4.1,-1.7,;-4.1,-.16,;-2.76,.61,;-1.43,-.16,;.03,.32,;-5.43,.61,;-5.59,2.15,;-7.1,2.47,;-7.87,1.13,;-6.84,-.01,;5.56,1.74,;6.59,1.23,;7.17,.23,;7.1,-.93,;7.87,.41,;7.1,1.74,)|

BDBM322456

CC1(C)[C@H](NC(=O)c2cc3ccc(OC(F)(F)F)cc3s2)C2CCN1CC2 |wD:3.3,(5.67,-2.1,;5.67,-.56,;4.34,-1.33,;4.9,.77,;3.36,.77,;2.59,-.56,;3.36,-1.9,;1.05,-.56,;.15,-1.81,;-1.32,-1.33,;-2.65,-2.1,;-3.98,-1.33,;-3.98,.21,;-5.32,.98,;-6.65,.21,;-7.98,-.56,;-6.65,-1.33,;-7.98,.98,;-2.65,.98,;-1.32,.21,;.15,.68,;5.67,2.1,;6.71,1.59,;7.28,.59,;7.21,-.56,;7.98,.77,;7.21,2.1,)|

BDBM322457

CC1(C)[C@H](NC(=O)c2cc3ccc(cc3s2)C2COC2)C2CCN1CC2 |wD:3.3,(5.28,-2.28,;5.28,-.74,;3.95,-1.51,;4.51,.59,;2.97,.59,;2.2,-.74,;2.97,-2.08,;.66,-.74,;-.24,-1.99,;-1.71,-1.51,;-3.04,-2.28,;-4.37,-1.51,;-4.37,.03,;-3.04,.8,;-1.71,.03,;-.24,.5,;-5.71,.8,;-6.11,2.28,;-7.59,1.89,;-7.19,.4,;5.28,1.92,;6.32,1.41,;6.89,.41,;6.82,-.74,;7.59,.59,;6.82,1.92,)|

BDBM322458

CC1(C)[C@H](NC(=O)c2cc3ccc(F)c(c3s2)C(F)(F)F)C2CCN1CC2 |wD:3.3,(4.34,-3.08,;4.34,-1.54,;3.01,-2.31,;3.57,-.21,;2.03,-.21,;1.26,-1.54,;2.03,-2.87,;-.28,-1.54,;-1.18,-2.79,;-2.65,-2.31,;-3.98,-3.08,;-5.32,-2.31,;-5.32,-.77,;-6.65,,;-3.98,,;-2.65,-.77,;-1.18,-.29,;-3.98,1.54,;-2.65,2.31,;-3.98,3.08,;-5.32,2.31,;4.34,1.13,;5.37,.61,;5.95,-.39,;5.88,-1.54,;6.65,-.21,;5.88,1.13,)|

BDBM322459

COc1ccc2cc(sc2c1C(F)(F)F)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:18.19,(-7.32,-.77,;-5.98,,;-4.65,-.77,;-4.65,-2.31,;-3.32,-3.08,;-1.98,-2.31,;-.52,-2.79,;.39,-1.54,;-.52,-.29,;-1.98,-.77,;-3.32,,;-3.32,1.54,;-1.98,2.31,;-3.32,3.08,;-4.65,2.31,;1.93,-1.54,;2.7,-2.87,;2.7,-.21,;4.24,-.21,;5.01,1.13,;6.04,.61,;6.62,-.39,;6.55,-1.54,;7.32,-.21,;6.55,1.13,;5.01,-1.54,;5.01,-3.08,;3.67,-2.31,)|

BDBM322460

CC1(C)[C@H](NC(=O)c2cc3ccc(C4CC4)c(F)c3s2)C2CCN1CC2 |wD:3.3,(5.11,-2.31,;5.11,-.77,;3.78,-1.54,;4.34,.56,;2.8,.56,;2.03,-.77,;2.8,-2.1,;.49,-.77,;-.41,-2.02,;-1.88,-1.54,;-3.21,-2.31,;-4.55,-1.54,;-4.55,,;-5.88,.77,;-7.42,.77,;-6.65,2.1,;-3.21,.77,;-3.21,2.31,;-1.88,,;-.41,.48,;5.11,1.9,;6.14,1.38,;6.72,.38,;6.65,-.77,;7.42,.56,;6.65,1.9,)|

BDBM322461

CC1(C)[C@H](NC(=O)c2cc3ccc(C4CC4)c(Cl)c3s2)C2CCN1CC2 |wD:3.3,(5.11,-2.31,;5.11,-.77,;3.78,-1.54,;4.34,.56,;2.8,.56,;2.03,-.77,;2.8,-2.1,;.49,-.77,;-.41,-2.02,;-1.88,-1.54,;-3.21,-2.31,;-4.55,-1.54,;-4.55,,;-5.88,.77,;-7.42,.77,;-6.65,2.1,;-3.21,.77,;-3.21,2.31,;-1.88,,;-.41,.48,;5.11,1.9,;6.14,1.38,;6.72,.38,;6.65,-.77,;7.42,.56,;6.65,1.9,)|

BDBM322462

CC1(C)[C@H](NC(=O)c2ccc3OCCOc3c2)C2CCN1CC2 |wU:3.3,(-1.79,-1.64,;-3.33,-1.64,;-2.56,-2.98,;-3.33,-.1,;-2,.67,;-.67,-.1,;-.67,-1.64,;.67,.67,;.67,2.21,;2,2.98,;3.33,2.21,;4.67,2.98,;6,2.21,;6,.67,;4.67,-.1,;3.33,.67,;2,-.1,;-4.67,.67,;-5.3,-.29,;-5.3,-1.45,;-4.67,-2.41,;-6,-1.64,;-6,-.1,)|

BDBM322463

CC1(C)[C@H](NC(=O)c2cc3ccc(Cl)cc3o2)C2CCN1CC2 |wD:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-5.32,.21,;-6.65,.98,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322464

CC1(C)[C@H](NC(=O)c2cc3cccc(Cl)c3o2)C2CCN1CC2 |wD:3.3,(3.67,-2.31,;3.67,-.77,;2.34,-1.54,;2.9,.56,;1.36,.56,;.59,-.77,;1.36,-2.1,;-.95,-.77,;-1.85,-2.02,;-3.32,-1.54,;-4.65,-2.31,;-5.98,-1.54,;-5.98,,;-4.65,.77,;-4.65,2.31,;-3.32,,;-1.85,.48,;3.67,1.9,;4.71,1.38,;5.28,.38,;5.21,-.77,;5.98,.56,;5.21,1.9,)|

BDBM322465

CC1(C)[C@H](NC(=O)c2nc3ccccc3o2)C2CCN1CC2 |wD:3.3,(3.67,-2.1,;3.67,-.56,;2.34,-1.33,;2.9,.77,;1.36,.77,;.59,-.56,;1.36,-1.9,;-.95,-.56,;-1.85,-1.81,;-3.32,-1.33,;-4.65,-2.1,;-5.98,-1.33,;-5.98,.21,;-4.65,.98,;-3.32,.21,;-1.85,.68,;3.67,2.1,;4.71,1.59,;5.28,.59,;5.21,-.56,;5.98,.77,;5.21,2.1,)|

BDBM322466

CC1(C)[C@H](NC(=O)c2nc3ccccc3[nH]2)C2CCN1CC2 |wD:3.3,(3.67,-2.1,;3.67,-.56,;2.34,-1.33,;2.9,.77,;1.36,.77,;.59,-.56,;1.36,-1.9,;-.95,-.56,;-1.85,-1.81,;-3.32,-1.33,;-4.65,-2.1,;-5.98,-1.33,;-5.98,.21,;-4.65,.98,;-3.32,.21,;-1.85,.68,;3.67,2.1,;4.71,1.59,;5.28,.59,;5.21,-.56,;5.98,.77,;5.21,2.1,)|

BDBM322467

Cn1c(nc2ccccc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(-1.38,2.13,;-1.85,.66,;-.95,-.59,;-1.85,-1.83,;-3.32,-1.36,;-4.65,-2.13,;-5.98,-1.36,;-5.98,.18,;-4.65,.95,;-3.32,.18,;.59,-.59,;1.36,-1.92,;1.36,.75,;2.9,.75,;3.67,2.08,;4.71,1.57,;5.28,.57,;5.21,-.59,;5.98,.75,;5.21,2.08,;3.67,-.59,;3.67,-2.13,;2.34,-1.36,)|

BDBM322468

Cn1c(cc2ccccc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(-1.38,2.13,;-1.85,.66,;-.95,-.59,;-1.85,-1.83,;-3.32,-1.36,;-4.65,-2.13,;-5.98,-1.36,;-5.98,.18,;-4.65,.95,;-3.32,.18,;.59,-.59,;1.36,-1.92,;1.36,.75,;2.9,.75,;3.67,2.08,;4.71,1.57,;5.28,.57,;5.21,-.59,;5.98,.75,;5.21,2.08,;3.67,-.59,;3.67,-2.13,;2.34,-1.36,)|

BDBM322469

CC1(C)[C@H](NC(=O)c2cc3ccncc3s2)C2CCN1CC2 |wD:3.3,(3.67,-2.1,;3.67,-.56,;2.34,-1.33,;2.9,.77,;1.36,.77,;.59,-.56,;1.36,-1.9,;-.95,-.56,;-1.85,-1.81,;-3.32,-1.33,;-4.65,-2.1,;-5.98,-1.33,;-5.98,.21,;-4.65,.98,;-3.32,.21,;-1.85,.68,;3.67,2.1,;4.71,1.59,;5.28,.59,;5.21,-.56,;5.98,.77,;5.21,2.1,)|

BDBM322470

CC1(C)[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C2CCN1CC2 |wD:3.3,(-1.9,2.98,;-2.67,1.64,;-1.13,1.64,;-2.67,.1,;-1.33,-.67,;,.1,;,1.64,;1.33,-.67,;1.33,-2.21,;2.67,-2.98,;4,-2.21,;5.33,-2.98,;4,-.67,;5.33,.1,;2.67,.1,;-4,-.67,;-4.64,.29,;-4.64,1.45,;-4,2.41,;-5.33,1.64,;-5.33,.1,)|

BDBM322471

COc1ccc(cc1C)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:12.12,(6,-2.21,;4.67,-2.98,;3.33,-2.21,;2,-2.98,;.67,-2.21,;.67,-.67,;2,.1,;3.33,-.67,;4.67,.1,;-.67,.1,;-.67,1.64,;-2,-.67,;-3.33,.1,;-4.67,-.67,;-5.3,.29,;-5.3,1.45,;-4.67,2.41,;-6,1.64,;-6,.1,;-3.33,1.64,;-2.56,2.98,;-1.79,1.64,)|

BDBM322472

CC1(C)[C@H](NC(=O)c2cn3ccnc3cn2)C2CCN1CC2 |wU:3.3,(-1.65,-1.64,;-3.19,-1.64,;-2.42,-2.98,;-3.19,-.1,;-1.85,.67,;-.52,-.1,;-.52,-1.64,;.82,.67,;2.15,-.1,;3.48,.67,;4.95,.19,;5.85,1.44,;4.95,2.68,;3.48,2.21,;2.15,2.98,;.82,2.21,;-4.52,.67,;-5.16,-.29,;-5.16,-1.45,;-4.52,-2.41,;-5.85,-1.64,;-5.85,-.1,)|

BDBM322473

CC1(C)[C@H](NC(=O)c2cc3cc(F)c(F)cc3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.1,;4.34,-.56,;3.01,-1.33,;3.57,.77,;2.03,.77,;1.26,-.56,;2.03,-1.9,;-.28,-.56,;-1.18,-1.81,;-2.65,-1.33,;-3.98,-2.1,;-5.32,-1.33,;-6.65,-2.1,;-5.32,.21,;-6.65,.98,;-3.98,.98,;-2.65,.21,;-1.18,.68,;4.34,2.1,;5.37,1.59,;5.95,.59,;5.88,-.56,;6.65,.77,;5.88,2.1,)|

BDBM322474

CC1(C)[C@H](NC(=O)c2cc3cccc(c3s2)S(C)(=O)=O)C2CCN1CC2 |wD:3.3,(3.78,-3.08,;3.78,-1.54,;2.44,-2.31,;3.01,-.21,;1.47,-.21,;.7,-1.54,;1.47,-2.87,;-.84,-1.54,;-1.75,-2.79,;-3.21,-2.31,;-4.55,-3.08,;-5.88,-2.31,;-5.88,-.77,;-4.55,,;-3.21,-.77,;-1.75,-.29,;-4.55,1.54,;-4.55,3.08,;-3.01,1.54,;-6.09,1.54,;3.78,1.13,;4.81,.61,;5.39,-.39,;5.32,-1.54,;6.09,-.21,;5.32,1.13,)|

BDBM322475

CC1(C)[C@H](NC(=O)c2cc3cccc(N4CCOCC4)c3s2)C2CCN1CC2 |wD:3.3,(3.67,-3.85,;3.67,-2.31,;2.34,-3.08,;2.9,-.98,;1.36,-.98,;.59,-2.31,;1.36,-3.64,;-.95,-2.31,;-1.85,-3.56,;-3.32,-3.08,;-4.65,-3.85,;-5.98,-3.08,;-5.98,-1.54,;-4.65,-.77,;-4.65,.77,;-3.32,1.54,;-3.32,3.08,;-4.65,3.85,;-5.98,3.08,;-5.98,1.54,;-3.32,-1.54,;-1.85,-1.06,;3.67,.36,;4.71,-.16,;5.28,-1.16,;5.21,-2.31,;5.98,-.98,;5.21,.36,)|

BDBM322476

CC1(C)[C@H](NC(=O)c2cnc3ccccc3c2)C2CCN1CC2 |wD:3.3,(2.56,-2.98,;3.33,-1.64,;1.79,-1.64,;3.33,-.1,;2,.67,;.67,-.1,;.67,-1.64,;-.67,.67,;-.67,2.21,;-2,2.98,;-3.33,2.21,;-4.67,2.98,;-6,2.21,;-6,.67,;-4.67,-.1,;-3.33,.67,;-2,-.1,;4.67,.67,;5.3,-.29,;5.3,-1.45,;4.67,-2.41,;6,-1.64,;6,-.1,)|

BDBM322477

CC1(C)[C@H](NC(=O)c2ccc3cccnc3c2)C2CCN1CC2 |wD:3.3,(-2.56,2.98,;-3.33,1.64,;-1.79,1.64,;-3.33,.1,;-2,-.67,;-.67,.1,;-.67,1.64,;.67,-.67,;.67,-2.21,;2,-2.98,;3.33,-2.21,;4.67,-2.98,;6,-2.21,;6,-.67,;4.67,.1,;3.33,-.67,;2,.1,;-4.67,-.67,;-5.3,.29,;-5.3,1.45,;-4.67,2.41,;-6,1.64,;-6,.1,)|

BDBM322478

CC1(C)[C@H](NC(=O)c2ccc3ncccc3c2)C2CCN1CC2 |wU:3.3,(-1.79,-1.64,;-3.33,-1.64,;-2.56,-2.98,;-3.33,-.1,;-2,.67,;-.67,-.1,;-.67,-1.64,;.67,.67,;.67,2.21,;2,2.98,;3.33,2.21,;4.67,2.98,;6,2.21,;6,.67,;4.67,-.1,;3.33,.67,;2,-.1,;-4.67,.67,;-5.3,-.29,;-5.3,-1.45,;-4.67,-2.41,;-6,-1.64,;-6,-.1,)|

BDBM322479

CC1(C)[C@H](NC(=O)c2ccc3oc(cc3c2)C2CC2)C2CCN1CC2 |wU:3.3,(-3.08,-1.64,;-4.62,-1.64,;-3.85,-2.98,;-4.62,-.1,;-3.29,.67,;-1.95,-.1,;-1.95,-1.64,;-.62,.67,;-.62,2.21,;.71,2.98,;2.05,2.21,;3.51,2.68,;4.42,1.44,;3.51,.19,;2.05,.67,;.71,-.1,;5.96,1.44,;7.29,2.21,;7.29,.67,;-5.96,.67,;-6.59,-.29,;-6.59,-1.45,;-5.96,-2.41,;-7.29,-1.64,;-7.29,-.1,)|

BDBM322480

CC(C)(O)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:16.17,(-3.32,2.31,;-4.65,1.54,;-5.98,2.31,;-4.65,3.08,;-4.65,,;-5.98,-.77,;-5.98,-2.31,;-4.65,-3.08,;-3.32,-2.31,;-1.85,-2.79,;-.95,-1.54,;-1.85,-.29,;-3.32,-.77,;.59,-1.54,;1.36,-2.87,;1.36,-.21,;2.9,-.21,;3.67,1.13,;4.71,.61,;5.28,-.39,;5.21,-1.54,;5.98,-.21,;5.21,1.13,;3.67,-1.54,;3.67,-3.08,;2.34,-2.31,)|

BDBM322481

CC1(C)[C@H](NC(=O)c2cc3cccc(c3s2)C2(CC2)C(F)(F)F)C2CCN1CC2 |wD:3.3,(2.98,-3.07,;2.98,-1.53,;1.65,-2.3,;2.21,-.19,;.67,-.19,;-.1,-1.53,;.67,-2.86,;-1.64,-1.53,;-2.54,-2.77,;-4.01,-2.3,;-5.34,-3.07,;-6.67,-2.3,;-6.67,-.76,;-5.34,.01,;-4.01,-.76,;-2.54,-.28,;-5.34,1.55,;-3.89,2.08,;-5.07,3.07,;-6.86,1.28,;-7.38,-.16,;-8.37,1.02,;-7.85,2.46,;2.98,1.14,;4.02,.62,;4.59,-.38,;4.52,-1.53,;5.29,-.19,;4.52,1.14,)|

BDBM322482

CC1(C)[C@H](NC(=O)c2ccc3[nH]ccc3c2)C2CCN1CC2 |wU:3.3,(-1.65,-1.64,;-3.19,-1.64,;-2.42,-2.98,;-3.19,-.1,;-1.85,.67,;-.52,-.1,;-.52,-1.64,;.82,.67,;.82,2.21,;2.15,2.98,;3.48,2.21,;4.95,2.68,;5.85,1.44,;4.95,.19,;3.48,.67,;2.15,-.1,;-4.52,.67,;-5.16,-.29,;-5.16,-1.45,;-4.52,-2.41,;-5.85,-1.64,;-5.85,-.1,)|

BDBM322483

COc1c(ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C)C1CC1 |wD:14.15,(-4.55,2.7,;-3.21,1.93,;-3.21,.38,;-4.55,-.38,;-4.55,-1.93,;-3.21,-2.7,;-1.88,-1.93,;-.41,-2.4,;.49,-1.16,;-.41,.09,;-1.88,-.38,;2.03,-1.16,;2.8,-2.49,;2.8,.18,;4.34,.18,;5.11,1.51,;6.14,1,;6.72,-0,;6.65,-1.16,;7.42,.18,;6.65,1.51,;5.11,-1.16,;5.11,-2.7,;3.78,-1.93,;-5.88,.38,;-7.42,.38,;-6.65,1.72,)|

BDBM322484

CC1(C)[C@H](NC(=O)c2ccc3oncc3c2)C2CCN1CC2 |wU:3.3,(-1.65,-1.64,;-3.19,-1.64,;-2.42,-2.98,;-3.19,-.1,;-1.85,.67,;-.52,-.1,;-.52,-1.64,;.82,.67,;.82,2.21,;2.15,2.98,;3.48,2.21,;4.95,2.68,;5.85,1.44,;4.95,.19,;3.48,.67,;2.15,-.1,;-4.52,.67,;-5.16,-.29,;-5.16,-1.45,;-4.52,-2.41,;-5.85,-1.64,;-5.85,-.1,)|

BDBM322485

CC1(C)[C@H](NC(=O)c2ccc3cnoc3c2)C2CCN1CC2 |wD:3.3,(-2.42,2.98,;-3.19,1.64,;-1.65,1.64,;-3.19,.1,;-1.85,-.67,;-.52,.1,;-.52,1.64,;.82,-.67,;.82,-2.21,;2.15,-2.98,;3.48,-2.21,;4.95,-2.68,;5.85,-1.44,;4.95,-.19,;3.48,-.67,;2.15,.1,;-4.52,-.67,;-5.16,.29,;-5.16,1.45,;-4.52,2.41,;-5.85,1.64,;-5.85,.1,)|

BDBM322486

CC1(C)[C@H](NC(=O)c2ccc3OC(F)(F)Oc3c2)C2CCN1CC2 |wU:3.3,(-2.31,-1.64,;-3.85,-1.64,;-3.08,-2.98,;-3.85,-.1,;-2.52,.67,;-1.18,-.1,;-1.18,-1.64,;.15,.67,;.15,2.21,;1.48,2.98,;2.82,2.21,;4.28,2.68,;5.19,1.44,;6.52,.67,;6.52,2.21,;4.28,.19,;2.82,.67,;1.48,-.1,;-5.19,.67,;-5.82,-.29,;-5.82,-1.45,;-5.19,-2.41,;-6.52,-1.64,;-6.52,-.1,)|

BDBM322487

Cn1nc(C(=O)N[C@@H]2C3CCN(CC3)C2(C)C)c2ccccc12 |wU:7.6,(.32,-5.07,;-.15,-3.6,;.75,-2.36,;-.15,-1.11,;.32,.35,;-.71,1.5,;1.83,.67,;2.3,2.14,;3.81,2.46,;3.64,3.6,;2.87,4.46,;1.75,4.75,;3.26,5.07,;4.29,3.92,;1.27,3.28,;.13,2.25,;-.19,3.76,;-1.62,-1.59,;-2.95,-.82,;-4.29,-1.59,;-4.29,-3.13,;-2.95,-3.9,;-1.62,-3.13,)|

BDBM322488

CC1(C)[C@H](NC(=O)c2noc3ccccc23)C2CCN1CC2 |wU:3.3,(.13,1.67,;1.27,2.7,;-.19,3.17,;2.3,1.55,;1.83,.09,;.32,-.23,;-.71,.91,;-.15,-1.7,;.75,-2.94,;-.15,-4.19,;-1.62,-3.71,;-2.95,-4.48,;-4.29,-3.71,;-4.29,-2.17,;-2.95,-1.4,;-1.62,-2.17,;3.81,1.87,;3.64,3.01,;2.87,3.87,;1.75,4.16,;3.26,4.48,;4.29,3.34,)|

BDBM322489

Cn1ccc2cc(ccc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wU:13.14,(5.42,3.56,;4.95,2.1,;5.85,.85,;4.95,-.39,;3.48,.08,;2.15,-.69,;.82,.08,;.82,1.62,;2.15,2.39,;3.48,1.62,;-.52,-.69,;-.52,-2.23,;-1.85,.08,;-3.19,-.69,;-4.52,.08,;-5.16,-.88,;-5.16,-2.04,;-4.52,-3,;-5.85,-2.23,;-5.85,-.69,;-3.19,-2.23,;-1.65,-2.23,;-2.42,-3.56,)|

BDBM322490

Cn1ccc2ccc(cc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(5.42,1.27,;4.95,-.19,;5.85,-1.44,;4.95,-2.68,;3.48,-2.21,;2.15,-2.98,;.82,-2.21,;.82,-.67,;2.15,.1,;3.48,-.67,;-.52,.1,;-.52,1.64,;-1.85,-.67,;-3.19,.1,;-4.52,-.67,;-5.16,.29,;-5.16,1.45,;-4.52,2.41,;-5.85,1.64,;-5.85,.1,;-3.19,1.64,;-2.42,2.98,;-1.65,1.64,)|

BDBM322491

CN(C)c1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-5.98,2.31,;-5.98,.77,;-7.32,,;-4.65,,;-4.65,-1.54,;-3.32,-2.31,;-1.98,-1.54,;-.52,-2.02,;.39,-.77,;-.52,.48,;-1.98,,;-3.32,.77,;1.93,-.77,;2.7,-2.1,;2.7,.56,;4.24,.56,;5.01,1.9,;6.04,1.38,;6.62,.38,;6.55,-.77,;7.32,.56,;6.55,1.9,;5.01,-.77,;5.01,-2.31,;3.67,-1.54,)|

BDBM322492

COCc1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-7.98,.98,;-6.65,.21,;-5.32,.98,;-3.98,.21,;-3.98,-1.33,;-2.65,-2.1,;-1.32,-1.33,;.15,-1.81,;1.05,-.56,;.15,.68,;-1.32,.21,;-2.65,.98,;2.59,-.56,;3.36,-1.9,;3.36,.77,;4.9,.77,;5.67,2.1,;6.71,1.59,;7.28,.59,;7.21,-.56,;7.98,.77,;7.21,2.1,;5.67,-.56,;5.67,-2.1,;4.34,-1.33,)|

BDBM322493

CC1(C)[C@H](NC(=O)c2cc3CCCCc3s2)C2CCN1CC2 |wD:3.3,(3.67,-2.1,;3.67,-.56,;2.34,-1.33,;2.9,.77,;1.36,.77,;.59,-.56,;1.36,-1.9,;-.95,-.56,;-1.85,-1.81,;-3.32,-1.33,;-4.65,-2.1,;-5.98,-1.33,;-5.98,.21,;-4.65,.98,;-3.32,.21,;-1.85,.68,;3.67,2.1,;4.71,1.59,;5.28,.59,;5.21,-.56,;5.98,.77,;5.21,2.1,)|

BDBM322494

CC(C)(C)c1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322495

FC(F)(F)Oc1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322496

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccc(cc2s1)C1COC1

BDBM322497

COc1ccc2cc(sc2c1C(F)(F)F)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322498

Clc1c(ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1)C1CC1

BDBM322499

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1nc2ccccc2[nH]1

BDBM322500

Cn1c(nc2ccccc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322501

Cn1c(cc2ccccc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322502

Clc1ccc(cc1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322503

COc1ccc(cc1C)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322504

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cn2ccnc2cn1

BDBM322505

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cnc2ccccc2c1

BDBM322506

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1ccc2cccnc2c1

BDBM322507

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1ccc2ncccc2c1

BDBM322508

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1ccc2[nH]ccc2c1

BDBM322509

COc1c(ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1)C1CC1

BDBM322510

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1ccc2oncc2c1

BDBM322511

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1noc2ccccc12

BDBM322512

FC1(F)Oc2ccc(cc2O1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322513

Cn1nc(C(=O)N[C@@H]2C3CCN(CC3)C22CC2)c2ccccc12

BDBM322514

Cn1ccc2cc(ccc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322515

CN(C)c1ccc2cc(sc2c1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1

BDBM322516

O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2CCCCc2s1

BDBM165921

OCc1ccc(cc1)-c1ccc2cc(oc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(9.17,.47,;8.4,1.8,;6.86,1.8,;6.09,.47,;4.55,.47,;3.78,1.8,;4.55,3.13,;6.09,3.13,;2.24,1.8,;1.47,3.13,;-.07,3.13,;-.84,1.8,;-2.34,1.48,;-2.5,-.05,;-1.1,-.68,;-.07,.47,;1.47,.47,;-3.84,-.82,;-3.84,-2.36,;-5.17,-.05,;-6.51,-.82,;-6.51,-2.36,;-7.84,-3.13,;-9.17,-2.36,;-9.17,-.82,;-7.84,-.05,;-7.07,-1.39,;-8.56,-1.78,)|

BDBM165922

O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(cc2o1)-c1ccc(cc1)N1CCOCC1 |r,wU:3.2,(-4.99,-2.36,;-4.99,-.82,;-6.33,-.05,;-7.66,-.82,;-7.66,-2.36,;-8.99,-3.13,;-10.33,-2.36,;-10.33,-.82,;-8.99,-.05,;-8.22,-1.39,;-9.71,-1.79,;-3.66,-.05,;-3.5,1.48,;-1.99,1.8,;-1.22,3.13,;.32,3.13,;1.09,1.8,;.32,.47,;-1.22,.47,;-2.25,-.68,;2.63,1.8,;3.4,.47,;4.94,.47,;5.71,1.8,;4.94,3.13,;3.4,3.13,;7.25,1.8,;8.02,.47,;9.56,.47,;10.33,1.8,;9.56,3.13,;8.02,3.13,)|

BDBM165923

COc1cccc(c1)-c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(8.07,-.67,;7.3,-2,;5.76,-2,;4.94,-3.33,;3.4,-3.33,;2.63,-2,;3.4,-.67,;4.94,-.67,;2.63,.67,;3.4,2,;2.63,3.33,;1.09,3.33,;.32,2,;-1.19,1.68,;-1.35,.15,;.06,-.48,;1.09,.67,;-2.68,-.62,;-2.68,-2.16,;-4.02,.15,;-5.35,-.62,;-5.35,-2.16,;-6.68,-2.93,;-8.02,-2.16,;-8.02,-.62,;-6.68,.15,;-5.91,-1.18,;-7.45,-1.6,)|

BDBM165924

O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccc(cc3)N3CCOCC3)c2s1 |r,wU:3.2,(-2.68,-.16,;-2.68,1.38,;-4.02,2.15,;-5.35,1.38,;-5.35,-.16,;-6.68,-.93,;-8.02,-.16,;-8.02,1.38,;-6.68,2.15,;-5.91,.82,;-7.45,.4,;-1.35,2.15,;-1.19,3.68,;.32,4,;1.09,5.33,;2.63,5.33,;3.4,4,;2.63,2.67,;3.4,1.33,;2.63,,;3.4,-1.33,;4.94,-1.33,;5.71,,;4.94,1.33,;5.71,-2.67,;4.94,-4,;5.71,-5.33,;7.25,-5.33,;8.02,-4,;7.25,-2.67,;1.09,2.67,;.06,1.52,)|

BDBM165925

OCc1ccc(cc1)-c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(7.63,-4,;6.09,-4,;5.32,-2.67,;3.78,-2.67,;3.01,-1.33,;3.78,,;5.32,,;6.09,-1.33,;3.01,1.33,;3.78,2.67,;3.01,4,;1.47,4,;.7,2.67,;-.8,2.35,;-.96,.82,;.44,.19,;1.47,1.33,;-2.3,.05,;-2.3,-1.49,;-3.63,.82,;-4.97,.05,;-4.97,-1.49,;-6.3,-2.26,;-7.63,-1.49,;-7.63,.05,;-6.3,.82,;-5.53,-.52,;-7.07,-.93,)|

BDBM165926

NCc1ccccc1-c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(7.63,.67,;6.09,.67,;5.32,-.67,;6.09,-2,;5.32,-3.33,;3.78,-3.33,;3.01,-2,;3.78,-.67,;3.01,.67,;3.78,2,;3.01,3.33,;1.47,3.33,;.7,2,;-.8,1.68,;-.96,.15,;.44,-.48,;1.47,.67,;-2.3,-.62,;-2.3,-2.16,;-3.63,.15,;-4.97,-.62,;-4.97,-2.16,;-6.3,-2.93,;-7.63,-2.16,;-7.63,-.62,;-6.3,.15,;-5.53,-1.18,;-7.02,-1.58,)|

BDBM165927

OC(=O)c1cccc(c1)-c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:21.23,(8.02,-3.33,;7.25,-2,;8.02,-.67,;5.71,-2,;4.94,-3.33,;3.4,-3.33,;2.63,-2,;3.4,-.67,;4.94,-.67,;2.63,.67,;3.4,2,;2.63,3.33,;1.09,3.33,;.32,2,;-1.19,1.68,;-1.35,.15,;.06,-.48,;1.09,.67,;-2.68,-.62,;-2.68,-2.16,;-4.02,.15,;-5.35,-.62,;-5.35,-2.16,;-6.68,-2.93,;-8.02,-2.16,;-8.02,-.62,;-6.68,.15,;-5.91,-1.18,;-7.4,-1.58,)|

BDBM165928

CNC(=O)NCc1ccccc1-c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(9.17,-2,;8.4,-.67,;6.86,-.67,;6.09,-2,;6.09,.67,;4.55,.67,;3.78,-.67,;4.55,-2,;3.78,-3.33,;2.24,-3.33,;1.47,-2,;2.24,-.67,;1.47,.67,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.07,-1.18,;-8.56,-1.58,)|

BDBM165929

O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccc(cc3)N3CCOCC3=O)c2o1 |r,wU:3.2,(-2.68,-.16,;-2.68,1.38,;-4.02,2.15,;-5.35,1.38,;-5.35,-.16,;-6.68,-.93,;-8.02,-.16,;-8.02,1.38,;-6.68,2.15,;-5.91,.82,;-7.45,.4,;-1.35,2.15,;-1.19,3.68,;.32,4,;1.09,5.33,;2.63,5.33,;3.4,4,;2.63,2.67,;3.4,1.33,;2.63,,;3.4,-1.33,;4.94,-1.33,;5.71,,;4.94,1.33,;5.71,-2.67,;4.94,-4,;5.71,-5.33,;7.25,-5.33,;8.02,-4,;7.25,-2.67,;8.02,-1.33,;1.09,2.67,;.06,1.52,)|

BDBM50393246

COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(20.47,-38.31,;21.24,-39.65,;20.47,-40.97,;21.23,-42.31,;20.45,-43.65,;18.91,-43.64,;18.15,-42.3,;18.93,-40.97,;18.17,-39.63,;18.95,-38.31,;18.18,-36.97,;16.65,-36.97,;15.88,-38.29,;14.37,-38.6,;14.21,-40.14,;15.61,-40.76,;16.64,-39.62,;12.87,-40.91,;12.86,-42.45,;11.54,-40.13,;10.2,-40.89,;10.2,-42.43,;8.87,-43.19,;7.54,-42.43,;7.54,-40.89,;8.87,-40.11,;9.63,-41.44,;8.13,-41.84,)|

BDBM165930

CCNC(=O)Nc1cccc(c1)-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(9.94,-4,;8.4,-4,;7.63,-2.67,;6.09,-2.67,;5.32,-4,;5.32,-1.33,;3.78,-1.33,;3.01,-2.67,;1.47,-2.67,;.7,-1.33,;1.47,,;3.01,,;.7,1.33,;1.47,2.67,;.7,4,;-.84,4,;-1.61,2.67,;-3.11,2.35,;-3.27,.82,;-1.87,.19,;-.84,1.33,;-4.61,.05,;-4.61,-1.49,;-5.94,.82,;-7.28,.05,;-7.28,-1.49,;-8.61,-2.26,;-9.94,-1.49,;-9.94,.05,;-8.61,.82,;-7.84,-.52,;-9.33,-.92,)|

BDBM165931

O=C(Nc1cccc(c1)-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2)C1CC1 |r,wU:21.23,(5.81,-4,;6.58,-2.67,;5.81,-1.33,;4.27,-1.33,;3.5,-2.67,;1.96,-2.67,;1.19,-1.33,;1.96,,;3.5,,;1.19,1.33,;1.96,2.67,;1.19,4,;-.35,4,;-1.12,2.67,;-2.63,2.35,;-2.79,.82,;-1.38,.19,;-.35,1.33,;-4.12,.05,;-4.12,-1.49,;-5.45,.82,;-6.79,.05,;-6.79,-1.49,;-8.12,-2.26,;-9.45,-1.49,;-9.45,.05,;-8.12,.82,;-7.46,-.45,;-8.89,-.89,;8.12,-2.67,;9.45,-3.44,;9.45,-1.9,)|

BDBM165932

OC(=O)c1cccc(c1)-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:21.23,(8.02,-3.33,;7.25,-2,;8.02,-.67,;5.71,-2,;4.94,-3.33,;3.4,-3.33,;2.63,-2,;3.4,-.67,;4.94,-.67,;2.63,.67,;3.4,2,;2.63,3.33,;1.09,3.33,;.32,2,;-1.19,1.68,;-1.35,.15,;.06,-.48,;1.09,.67,;-2.68,-.62,;-2.68,-2.16,;-4.02,.15,;-5.35,-.62,;-5.35,-2.16,;-6.68,-2.93,;-8.02,-2.16,;-8.02,-.62,;-6.68,.15,;-5.91,-1.18,;-7.45,-1.6,)|

BDBM165933

OCc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(7.63,.67,;6.09,.67,;5.32,-.67,;6.09,-2,;5.32,-3.33,;3.78,-3.33,;3.01,-2,;3.78,-.67,;3.01,.67,;3.78,2,;3.01,3.33,;1.47,3.33,;.7,2,;-.8,1.68,;-.96,.15,;.44,-.48,;1.47,.67,;-2.3,-.62,;-2.3,-2.16,;-3.63,.15,;-4.97,-.62,;-4.97,-2.16,;-6.3,-2.93,;-7.63,-2.16,;-7.63,-.62,;-6.3,.15,;-5.53,-1.18,;-7.07,-1.6,)|

BDBM165934

COc1ccc(OC)c(c1)-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:22.24,(1.47,-4,;3.01,-4,;3.78,-2.67,;5.32,-2.67,;6.09,-1.33,;5.32,,;6.09,1.33,;7.63,1.33,;3.78,,;3.01,-1.33,;3.01,1.33,;3.78,2.67,;3.01,4,;1.47,4,;.7,2.67,;-.8,2.35,;-.96,.82,;.44,.19,;1.47,1.33,;-2.3,.05,;-2.3,-1.49,;-3.63,.82,;-4.97,.05,;-4.97,-1.49,;-6.3,-2.26,;-7.63,-1.49,;-7.63,.05,;-6.3,.82,;-5.53,-.52,;-7.07,-.93,)|

BDBM165935

O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3cccc(c3)C(=O)NC3CC3)c2o1 |r,wU:3.2,(-4.12,-1.78,;-4.12,-.24,;-5.45,.53,;-6.79,-.24,;-6.79,-1.78,;-8.12,-2.55,;-9.45,-1.78,;-9.45,-.24,;-8.12,.53,;-7.46,-.73,;-8.89,-1.17,;-2.79,.53,;-2.63,2.07,;-1.12,2.39,;-.35,3.72,;1.19,3.72,;1.96,2.39,;1.19,1.05,;1.96,-.28,;1.19,-1.62,;1.96,-2.95,;3.5,-2.95,;4.27,-1.62,;3.5,-.28,;5.81,-1.62,;6.58,-.28,;6.58,-2.95,;8.12,-2.95,;9.45,-3.72,;9.45,-2.18,;-.35,1.05,;-1.38,-.09,)|

BDBM165936

CN1CCN(CC1)C(=O)c1cccc(c1)-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:27.30,(9.17,-5.33,;8.4,-4,;6.86,-4,;6.09,-2.67,;6.86,-1.33,;8.4,-1.33,;9.17,-2.67,;6.09,,;6.86,1.33,;4.55,,;3.78,-1.33,;2.24,-1.33,;1.47,,;2.24,1.33,;3.78,1.33,;1.47,2.67,;2.24,4,;1.47,5.33,;-.07,5.33,;-.84,4,;-2.34,3.68,;-2.5,2.15,;-1.1,1.52,;-.07,2.67,;-3.84,1.38,;-3.84,-.16,;-5.17,2.15,;-6.51,1.38,;-6.51,-.16,;-7.84,-.93,;-9.17,-.16,;-9.17,1.38,;-7.84,2.15,;-7.07,.82,;-8.63,.28,)|

BDBM165937

CNC(=O)NCc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(9.17,3.33,;8.4,2,;6.86,2,;6.09,3.33,;6.09,.67,;4.55,.67,;3.78,-.67,;4.55,-2,;3.78,-3.33,;2.24,-3.33,;1.47,-2,;2.24,-.67,;1.47,.67,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.07,-1.18,;-8.56,-1.58,)|

BDBM165938

Oc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:19.21,(6.86,.67,;6.09,-.67,;6.86,-2,;6.09,-3.33,;4.55,-3.33,;3.78,-2,;4.55,-.67,;3.78,.67,;4.55,2,;3.78,3.33,;2.24,3.33,;1.47,2,;-.03,1.68,;-.19,.15,;1.21,-.48,;2.24,.67,;-1.53,-.62,;-1.53,-2.16,;-2.86,.15,;-4.2,-.62,;-4.2,-2.16,;-5.53,-2.93,;-6.86,-2.16,;-6.86,-.62,;-5.53,.15,;-4.76,-1.18,;-6.25,-1.58,)|

BDBM397111

O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1nccs1 |(1.18,1.92,;1.18,.38,;2.52,-.39,;3.85,.38,;3.85,1.93,;5.19,2.7,;6.52,1.93,;6.52,.38,;5.19,-.39,;5.9,.96,;4.42,1.36,;-.15,-.39,;-.15,-1.93,;-1.48,-2.7,;-2.82,-1.93,;-4.15,-2.7,;-2.82,-.39,;-1.48,.38,;-4.15,.38,;-5.61,-.09,;-6.52,1.15,;-5.61,2.4,;-4.15,1.92,)|

BDBM397112

O=C(N[C@H]1CN2CCC1CC2)c1ccc(=O)n(c1)-c1nccs1 |r,wU:3.2,(1.18,1.92,;1.18,.38,;2.52,-.39,;3.85,.38,;3.85,1.93,;5.19,2.7,;6.52,1.93,;6.52,.38,;5.19,-.39,;5.9,.96,;4.42,1.36,;-.15,-.39,;-.15,-1.93,;-1.48,-2.7,;-2.82,-1.93,;-4.15,-2.7,;-2.82,-.39,;-1.48,.38,;-4.15,.38,;-4.15,1.92,;-5.61,2.4,;-6.52,1.15,;-5.61,-.09,)|

BDBM397113

O=C(N[C@@H]1CN2CCC1CC2)c1ccc(=O)n(c1)-c1nccs1 |r,wD:3.2,(1.18,1.92,;1.18,.38,;2.52,-.39,;3.85,.38,;3.85,1.93,;5.19,2.7,;6.52,1.93,;6.52,.38,;5.19,-.39,;5.9,.96,;4.42,1.36,;-.15,-.39,;-.15,-1.93,;-1.48,-2.7,;-2.82,-1.93,;-4.15,-2.7,;-2.82,-.39,;-1.48,.38,;-4.15,.38,;-4.15,1.92,;-5.61,2.4,;-6.52,1.15,;-5.61,-.09,)|

BDBM397114

Clc1ccc(nc1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.34,2.7,;-6,1.92,;-4.67,2.69,;-3.33,1.92,;-3.33,.38,;-4.67,-.39,;-6,.38,;-2,-.39,;-.67,.38,;.67,-.39,;.67,-1.93,;-.67,-2.7,;-2,-1.93,;-3.33,-2.7,;2,.38,;2,1.92,;3.33,-.39,;4.67,.38,;4.67,1.93,;6,2.7,;7.34,1.93,;7.34,.38,;6,-.39,;6.72,1.36,;5.23,1.36,)|

BDBM397115

O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1ccc(cn1)-c1ccccc1 |(3.33,.77,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;8.67,.77,;8.67,-.77,;7.34,-1.54,;8.05,.2,;6.57,.21,;2,-1.54,;2,-3.08,;.67,-3.85,;-.67,-3.08,;-2,-3.85,;-.67,-1.54,;.67,-.77,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,-1.54,;-6,1.54,;-6,3.08,;-7.34,3.85,;-8.67,3.08,;-8.67,1.54,;-7.34,.77,)|

BDBM397116

O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1cc(no1)-c1ccccc1 |(3.49,1.92,;3.49,.38,;4.83,-.39,;6.16,.38,;6.16,1.93,;7.5,2.7,;8.83,1.93,;8.83,.38,;7.5,-.39,;8.21,.96,;6.73,1.36,;2.16,-.39,;2.16,-1.93,;.83,-2.7,;-.51,-1.93,;-1.84,-2.7,;-.51,-.39,;.83,.38,;-1.84,.38,;-3.3,-.09,;-4.21,1.15,;-3.3,2.4,;-1.84,1.92,;-5.75,1.15,;-6.52,2.49,;-8.06,2.49,;-8.83,1.15,;-8.06,-.18,;-6.52,-.18,)|

BDBM397117

Cc1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,1.36,;5.19,1.36,)|

BDBM397118

Cc1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:16.17,(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,1.36,;5.19,1.36,)|

BDBM397119

Cc1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:16.17,(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,1.36,;5.19,1.36,)|

BDBM397120

CCc1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.67,2.49,;-6.9,1.15,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)|

BDBM397121

CCc1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:17.18,(-7.67,2.49,;-6.9,1.15,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)|

BDBM397122

CCc1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:17.18,(-7.67,2.49,;-6.9,1.15,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)|

BDBM397123

CCCc1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-8.44,2.49,;-6.9,2.49,;-6.13,1.15,;-4.59,1.15,;-3.69,2.4,;-2.22,1.92,;-2.22,.38,;-3.69,-.09,;-.89,-.39,;.44,.38,;1.78,-.39,;1.78,-1.93,;.44,-2.7,;-.89,-1.93,;-2.22,-2.7,;3.11,.38,;3.11,1.92,;4.44,-.39,;5.78,.38,;5.78,1.93,;7.11,2.7,;8.44,1.93,;8.44,.38,;7.11,-.39,;7.83,.96,;6.34,1.36,)|

BDBM397124

CC(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)|

BDBM397125

CC(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:18.19,(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,1.36,;5.57,1.36,)|

BDBM397126

CC(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:18.19,(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)|

BDBM397127

CC(C)(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-6.13,2.49,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)|

BDBM397128

CC(C)(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:19.20,(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-6.13,2.49,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)|

BDBM397129

CC(C)(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:19.20,(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-6.13,2.49,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)|

BDBM397130

O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1ncc(s1)C1CCCC1 |(3.14,1.92,;3.14,.38,;4.47,-.39,;5.81,.38,;5.81,1.93,;7.14,2.7,;8.47,1.93,;8.47,.38,;7.14,-.39,;7.86,.96,;6.37,1.36,;1.81,-.39,;1.81,-1.93,;.47,-2.7,;-.86,-1.93,;-2.19,-2.7,;-.86,-.39,;.47,.38,;-2.19,.38,;-2.19,1.92,;-3.66,2.4,;-4.56,1.15,;-3.66,-.09,;-6.1,1.15,;-7.01,2.4,;-8.47,1.92,;-8.47,.38,;-7.01,-.09,)|

BDBM397131

O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1ncc(s1)C1CCCCC1 |(3.49,1.92,;3.49,.38,;4.83,-.39,;6.16,.38,;6.16,1.93,;7.5,2.7,;8.83,1.93,;8.83,.38,;7.5,-.39,;8.21,.96,;6.73,1.36,;2.16,-.39,;2.16,-1.93,;.83,-2.7,;-.51,-1.93,;-1.84,-2.7,;-.51,-.39,;.83,.38,;-1.84,.38,;-1.84,1.92,;-3.3,2.4,;-4.21,1.15,;-3.3,-.09,;-5.75,1.15,;-6.52,2.49,;-8.06,2.49,;-8.83,1.15,;-8.06,-.18,;-6.52,-.18,)|

BDBM397132

O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1ncc(s1)-c1ccccc1 |(3.49,1.92,;3.49,.38,;4.83,-.39,;6.16,.38,;6.16,1.93,;7.5,2.7,;8.83,1.93,;8.83,.38,;7.5,-.39,;8.21,1.36,;6.73,1.36,;2.16,-.39,;2.16,-1.93,;.83,-2.7,;-.51,-1.93,;-1.84,-2.7,;-.51,-.39,;.83,.38,;-1.84,.38,;-1.84,1.92,;-3.3,2.4,;-4.21,1.15,;-3.3,-.09,;-5.75,1.15,;-6.52,2.49,;-8.06,2.49,;-8.83,1.15,;-8.06,-.18,;-6.52,-.18,)|

BDBM397133

Clc1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,.96,;5.19,1.36,)|

BDBM397134

Clc1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:16.17,(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,1.36,;5.19,1.36,)|

BDBM397135

Clc1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:16.17,(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,1.36,;5.19,1.36,)|

BDBM397136

O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1ncc(Cc2ccccc2)s1 |(3.49,.69,;3.49,-.85,;4.83,-1.62,;6.16,-.85,;6.16,.69,;7.5,1.46,;8.83,.69,;8.83,-.85,;7.5,-1.62,;8.21,-.27,;6.73,.13,;2.16,-1.62,;2.16,-3.16,;.83,-3.93,;-.51,-3.16,;-1.84,-3.93,;-.51,-1.62,;.83,-.85,;-1.84,-.85,;-1.84,.69,;-3.3,1.17,;-4.21,-.08,;-5.75,-.08,;-6.52,1.26,;-5.75,2.59,;-6.52,3.93,;-8.06,3.93,;-8.83,2.59,;-8.06,1.26,;-3.3,-1.32,)|

BDBM397137

Cc1csc(n1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-6.38,3.21,;-5.61,1.88,;-6.52,.64,;-5.61,-.61,;-4.15,-.13,;-4.15,1.41,;-2.82,-.9,;-1.48,-.13,;-.15,-.9,;-.15,-2.44,;-1.48,-3.21,;-2.82,-2.44,;-4.15,-3.21,;1.18,-.13,;1.18,1.41,;2.52,-.9,;3.85,-.13,;3.85,1.41,;5.19,2.18,;6.52,1.41,;6.52,-.13,;5.19,-.9,;5.9,.84,;4.42,.84,)|

BDBM397138

O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1nc2ccccc2s1 |(2.37,1.49,;2.37,-.05,;3.71,-.82,;5.04,-.05,;5.04,1.49,;6.37,2.26,;7.71,1.49,;7.71,-.05,;6.37,-.82,;7.14,.51,;5.6,.92,;1.04,-.82,;1.04,-2.36,;-.29,-3.13,;-1.63,-2.36,;-2.96,-3.13,;-1.63,-.82,;-.29,-.05,;-2.96,-.05,;-3.12,1.48,;-4.63,1.8,;-5.4,3.13,;-6.94,3.13,;-7.71,1.8,;-6.94,.47,;-5.4,.47,;-4.37,-.68,)|

BDBM397139

Cc1nnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.93,;-3.38,.38,;-4.84,-.09,;-2.05,-.38,;-.71,.38,;.62,-.38,;.62,-1.93,;-.71,-2.69,;-2.05,-1.93,;-3.38,-2.69,;1.95,.38,;1.95,1.93,;3.29,-.38,;4.62,.38,;4.62,1.93,;5.96,2.69,;7.29,1.93,;7.29,.38,;5.96,-.38,;6.73,.95,;5.19,1.36,)|

BDBM397140

Cc1cnc(s1)-n1cc(ccc1=O)C(=O)OC1CN2CCC1CC2 |(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.93,;-3.38,.38,;-4.84,-.09,;-2.05,-.38,;-.71,.38,;.62,-.38,;.62,-1.93,;-.71,-2.69,;-2.05,-1.93,;-3.38,-2.69,;1.95,.38,;1.95,1.93,;3.29,-.38,;4.62,.38,;4.62,1.93,;5.96,2.69,;7.29,1.93,;7.29,.38,;5.96,-.38,;6.73,.95,;5.19,1.36,)|

BDBM397141

CC(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)OC1CN2CCC1CC2 |(-7.67,-.18,;-6.9,1.15,;-7.67,2.49,;-5.36,1.15,;-4.46,2.4,;-2.99,1.93,;-2.99,.38,;-4.46,-.09,;-1.66,-.38,;-.33,.38,;1.01,-.38,;1.01,-1.93,;-.33,-2.69,;-1.66,-1.93,;-2.99,-2.69,;2.34,.38,;2.34,1.93,;3.67,-.38,;5.01,.38,;5.01,1.93,;6.34,2.69,;7.67,1.93,;7.67,.38,;6.34,-.38,;7.11,.95,;5.57,1.36,)|

BDBM50049750

C(Oc1cccnc1)[C@@H]1CCN1 |r|

BDBM50049757

c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl

BDBM50004108

C[N@@]1CCC[C@H]1c2cccnc2

BDBM50066789

Ic1cncc(OC[C@@H]2CCN2)c1

BDBM50107863

O=c1cccc2[C@H]3CNC[C@@H](C3)Cn12

BDBM50100712

Ic1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|

BDBM50010588

C[C@@H](Cc1ccc2c(c1)OCO2)NC

BDBM10759

CC(=O)OCC[N+](C)(C)C

BDBM86311

O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7|

BDBM50047021

C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O

BDBM85224

COC(=O)Nc1ccc(Cl)c(Cl)c1

BDBM86309

CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14 |TLB:1:2:28:44.42,1:2:23.24.25:47,4:47:48:36.29.35,23:4:28:44.42,25:28:2.3.4:44.42,38:36:47.44:48,37:36:47.44:48,45:44:2.3.4:28,43:42:2.3.4:28,THB:2:48:47.44:36.29.35,42:48:23.24.25:47,36:42:2.3.4:28,30:29:47.44:48,29:28:2.3.4:44.42,33:32:36.38.39:30.29,45:44:48:36.29.35,26:25:47:2.3.48,5:4:28:44.42,(5.58,4.18,;4.03,3.67,;2.52,2.79,;2.59,.56,;1.98,-.55,;1.93,-2.19,;2.56,-3.67,;4.07,-4.23,;5.58,-3.65,;4.27,-5.76,;3.07,-6.74,;3.32,-8.26,;4.76,-8.8,;5.95,-7.83,;5.71,-6.31,;6.9,-5.33,;8.39,-5.72,;9.3,-7.02,;9.22,-4.43,;8.24,-3.24,;8.64,-1.75,;6.81,-3.79,;5.89,-2.31,;3.31,.22,;3.31,1.76,;1.98,2.53,;2.34,4.26,;2.78,5.82,;.65,1.76,;-.46,2.76,;-.27,4.29,;-1.66,4.95,;-2.72,3.83,;-4.4,3.79,;-6.02,3.54,;-1.98,2.48,;-2.7,1.12,;-3.96,.07,;-4.18,1.83,;-4.04,4.66,;-5.38,5.7,;-5.73,7.25,;-2.08,-.3,;-2.98,-1.63,;-.59,-.69,;-1.08,-2.25,;-1.69,-3.73,;.65,.22,;.65,2.85,)|

BDBM50275262

C[C@H](CCOC(=O)N(C)C)N(C)C

C(Oc1cccnc1)C1CCN1

CN1CCCC1c1cc(C)no1

C[N+](C)(C)CCOC(=O)N

COC1CC=C2CCN3CCC4=C(CC(=O)OC4)C23C1 |t:4,11|

BDBM86543

COc1ccc(C=C2CCCN=C2c2cccnc2)c(OC)c1 |w:6.5,c:11|

BDBM82546

CNC(=O)OCC[N+](C)(C)C

BDBM86544

CN1CCCC1c1cncc(c1)C#C

BDBM50079456

C1CN2CCC1CC2c1cccnc1 |(15.84,-6.24,;14.49,-7,;16.04,-8.15,;16.81,-6.8,;16.04,-5.47,;14.49,-5.47,;13.72,-6.8,;14.49,-8.15,;13.17,-8.93,;11.82,-8.15,;10.5,-8.95,;10.5,-10.47,;11.82,-11.27,;13.17,-10.47,)|

BDBM50143314

Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10|

BDBM82070

CN1CCC[C@H]1c1cccnc1 |r|

BDBM91593

COc1ccc(\C=C2/C=CCN=C2c2cccnc2)c(OC)c1 |c:8,11|

BDBM91594

[H]C12CC[C@@H](C[C@H](C1)OC(=O)c1c[nH]c3ccccc13)N2C |TLB:8:6:20:2.3|

BDBM50161764

Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:10.10,TLB:9:10:14.13:16.17,(9.34,-31.61,;10.67,-32.38,;10.67,-33.92,;12,-34.69,;13.35,-33.92,;13.34,-32.37,;12,-31.6,;14.68,-34.69,;16.01,-33.92,;14.68,-36.23,;16.02,-37,;16.46,-35.89,;16.53,-37.53,;15.18,-38.13,;14.9,-39.53,;16.27,-38.89,;17.81,-39.55,;18,-38.17,)|

BDBM50190786

O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1 |wU:3.2,(-5.16,-23.46,;-5.16,-25,;-3.82,-25.76,;-2.49,-24.99,;-2.5,-23.45,;-1.16,-22.68,;.18,-23.45,;.18,-24.99,;-1.15,-25.76,;-2.03,-24.61,;-1.21,-23.81,;-6.49,-25.78,;-7.83,-25.01,;-9.15,-25.79,;-10.62,-25.31,;-11.52,-26.55,;-10.62,-27.8,;-9.16,-27.33,;-7.82,-28.1,;-6.48,-27.33,)|

BDBM91595

O=C(N[C@H]1CN2CCC1CC2)c1ccc2OCCOc2c1 |wU:3.2,THB:2:3:6.7:9.10,(5.33,-4.62,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;9.22,-2.29,;9.13,-3.83,;10.33,-5.04,;9.09,-5.75,;7.93,-4.59,;6.35,-5.14,;7.23,-4.3,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;4,-.77,)|

BDBM91596

Cn1c2ccccc2c(OCc2cn(CC[N+]3CCCC3)nn2)cc1=O |^1:16|

BDBM91707

Cn1nncc1COc1cc(=O)n(C)c2ccccc12

BDBM91598

Cn1c2ccccc2c(OCc2cn(CC[N+]3(C)CCCCC3)nn2)cc1=O

BDBM91599

CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12

BDBM91600

Cn1c2ccccc2c(OCc2cn(CC[N+]34CCC(CC3)CC4)nn2)cc1=O

BDBM91601

O=c1cc(OCc2cnnn2CC[N+]23CCC(CC2)CC3)c2ccccc2[nH]1

BDBM91602

Cn1c2ccccc2c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)cc1=O |TLB:13:16:20.19:23|

BDBM91603

CN1CC=C(OCc2cnnn2C2CC3CCC(C2)[N+]3(C)C)c2ccccc12 |t:3,TLB:11:12:19:15.16|

BDBM91604

Cn1c2ccccc2c(OCc2cn(CCC[N+]3(C)CCCC3)nn2)cc1=O

BDBM91605

Cn1c2ccccc2c(OCc2cnnn2CCC[N+]2(C)CCCC2)cc1=O

BDBM91606

C[N+](C)(C)CCn1cc(COc2cc([O])nc3ccccc23)nn1 |^1:14|

BDBM91607

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cccc(c2)C#N)nn1 |THB:10:8:1:4.5|

BDBM91608

COc1cc(C=O)ccc1OCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C |TLB:14:17:24:20.21|

BDBM91609

Cc1cc(ccc1OCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)[N+]([O-])=O |TLB:11:14:21:17.18|

BDBM91610

CC(=O)NCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C |TLB:7:10:13.14:17|

BDBM91611

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:10:8:4.5:1|

BDBM91612

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:10:8:4.5:1|

BDBM91613

COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c1 |TLB:13:16:19.20:23|

BDBM91614

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1 |THB:10:8:1:5.4|

BDBM91615

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1 |THB:10:8:1:5.4|

BDBM91616

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nn1 |THB:10:8:4.5:1|

BDBM91617

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:10:8:1:4.5|

BDBM91618

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1 |THB:10:8:1:5.4|

BDBM91619

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F |THB:10:8:4.5:1|

BDBM91620

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)c2ccccc2-c2ccccc12 |THB:10:8:4.5:1|

BDBM91621

Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1 |TLB:13:16:19.20:23|

BDBM91622

CC(=O)c1c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)ccc2ccccc12 |TLB:9:12:15.16:19|

BDBM91623

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)N2c3ccccc3CCc3ccccc23)nn1 |THB:10:8:4.5:1|

BDBM91624

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cc(=O)n(C)c3ccccc23)nn1 |THB:9:7:4.3:1|

BDBM91625

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(C)=O)nn1 |THB:9:7:3.4:1|

BDBM91626

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:9:7:3.4:1|

BDBM91627

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1|

BDBM91628

COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)c1 |TLB:13:16:20.19:23|

BDBM91629

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1 |THB:9:7:1:4.3|

BDBM91630

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1 |THB:9:7:1:4.3|

BDBM91631

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nn1 |THB:9:7:3.4:1|

BDBM91632

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:9:7:1:4.3|

BDBM91633

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1 |THB:9:7:1:3.4|

BDBM91634

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F |THB:9:7:3.4:1|

BDBM91635

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)c2ccccc2-c2ccccc12 |THB:9:7:3.4:1|

BDBM91636

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CCCSc2nc(C)cc(C)n2)nn1 |THB:9:7:3.4:1|

BDBM91637

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1 |THB:9:7:3.4:1|

BDBM91638

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)N2c3ccccc3CCc3ccccc23)nn1 |THB:9:7:3.4:1|

BDBM50088438

c1cc(cnc1)N2CCCNCC2

BDBM92377

CCOc1cc(cnc1)N2CCCNCC2

BDBM50088437

C1CNCCN(C1)c1cncc(c1)-c1ccccc1

BDBM50088454

c1cc(ncc1N2CCCNCC2)Br

BDBM50088453

CCOc1cc(cnc1Br)N2CCCNCC2

BDBM50164942

O=C(Nc1ccccc1)OC1CN2CCC1CC2 |(7.26,-.24,;7.26,1.3,;8.61,2.07,;9.94,1.28,;11.27,2.05,;12.6,1.28,;12.6,-.26,;11.25,-1.03,;9.92,-.26,;5.93,2.07,;4.6,1.3,;4.6,-.24,;3.27,-1,;1.94,-.24,;1.94,1.3,;3.27,2.08,;2.5,.75,;3.83,-.02,)|

BDBM50164959

Brc1ccc(NC(=O)OC2CN3CCC2CC3)cc1 |(13.94,-1.03,;12.6,-.26,;11.25,-1.03,;9.92,-.26,;9.94,1.28,;8.61,2.07,;7.26,1.3,;7.26,-.24,;5.93,2.07,;4.6,1.3,;4.6,-.24,;3.27,-1,;1.94,-.24,;1.94,1.3,;3.27,2.08,;2.5,.75,;3.83,-.02,;11.27,2.05,;12.6,1.28,)|

BDBM102929

O=C(NC1CN2CCC1CC2)c1ccc(Sc2ccccc2)cc1 |(-2,-1.92,;-2,-.38,;-3.33,.39,;-4.67,-.38,;-4.67,-1.93,;-6,-2.7,;-7.34,-1.93,;-7.34,-.38,;-6,.39,;-5.23,-.95,;-6.72,-1.35,;-.67,.39,;.67,-.38,;2,.39,;2,1.93,;3.33,2.7,;4.67,1.93,;4.67,.39,;6,-.38,;7.34,.39,;7.34,1.93,;6,2.7,;.67,2.69,;-.67,1.93,)|

BDBM102930

O=C(Nc1ccccc1)OC1C2CCN(CC2)C1Cc1cccnc1 |(,1.54,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;4,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;-1.33,3.85,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-4,.77,;-4.72,2.12,;-3.23,2.52,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,)|

BDBM102931

Brc1ccc(NC(=O)OC2C3CCN(CC3)C2Cc2cccnc2)cc1 |(6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;2,3.08,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,3.85,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-6,1.54,;-4.67,.77,;-5.39,2.12,;-3.9,2.52,;-3.33,1.54,;-2,.77,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;3.33,3.85,;4.67,3.08,)|

BDBM102932

O=C(NC1C2CCN(CC2)C1Cc1cccnc1)c1ccc(Sc2ccccc2)cc1 |(-2,.39,;-2,1.93,;-3.33,2.7,;-4.67,1.93,;-6,2.7,;-7.34,1.93,;-7.34,.38,;-6,-.39,;-6.72,.96,;-5.23,1.36,;-4.67,.38,;-3.33,-.39,;-3.33,-1.93,;-4.67,-2.7,;-4.67,-4.24,;-3.33,-5.01,;-2,-4.24,;-2,-2.7,;-.67,2.7,;.67,1.93,;2,2.7,;2,4.24,;3.33,5.01,;4.67,4.24,;4.67,2.7,;6,1.93,;7.34,2.7,;7.34,4.24,;6,5.01,;.67,5.01,;-.67,4.24,)|

BDBM119802

CS(=O)(=O)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1 |r,wU:18.18,(8.67,2.31,;7.34,3.08,;8.67,3.85,;7.34,1.54,;6,3.85,;4.67,3.08,;4.67,1.54,;3.33,.77,;2,1.54,;2,3.08,;3.33,3.85,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,-1.54,;-6,-3.08,;-7.34,-3.85,;-8.67,-3.08,;-8.67,-1.54,;-7.34,-.77,;-6.57,-2.1,;-8.05,-2.5,;-2,.77,;-.67,1.54,)|

BDBM119803

O=C(Nc1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1CN2CCC1CC2 |r,wU:25.27,(-6,.77,;-6,-.77,;-4.67,-1.54,;-3.33,-.77,;-2,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;.67,1.54,;2,.77,;3.33,1.54,;3.33,3.08,;4.67,3.85,;6,3.08,;7.34,3.85,;6,1.54,;7.34,2.31,;7.34,.77,;8.67,,;10,.77,;10,2.31,;8.67,3.08,;2,3.85,;.67,3.08,;-7.34,-1.54,;-7.34,-3.08,;-8.67,-3.85,;-10,-3.08,;-10,-1.54,;-8.67,-.77,;-7.9,-2.1,;-9.39,-2.5,)|

BDBM119804

NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1 |r,wU:17.17,(8,3.85,;6.67,3.08,;8,2.31,;6.67,4.62,;5.33,2.31,;5.33,.77,;4,,;2.67,.77,;2.67,2.31,;4,3.08,;1.33,,;1.33,-1.54,;,-2.31,;-1.33,-1.54,;-2.67,-2.31,;-4,-1.54,;-4,,;-5.33,-2.31,;-5.33,-3.85,;-6.67,-4.62,;-8,-3.85,;-8,-2.31,;-6.67,-1.54,;-5.9,-2.87,;-7.39,-3.27,;-1.33,,;,.77,)|

BDBM119805

O=C(NC1CCCC1)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1 |r,wU:22.23,(5.48,1.54,;5.48,3.08,;6.82,3.85,;8.15,3.08,;8.15,1.54,;9.62,1.06,;10.52,2.31,;9.62,3.56,;4.15,3.85,;2.82,3.08,;2.82,1.54,;1.48,.77,;.15,1.54,;.15,3.08,;1.48,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-6.52,.77,;-7.85,-1.54,;-7.85,-3.08,;-9.19,-3.85,;-10.52,-3.08,;-10.52,-1.54,;-9.19,-.77,;-8.42,-2.1,;-9.9,-2.5,;-3.85,.77,;-2.52,1.54,)|

BDBM119806

Fc1cccc(c1)C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1 |r,wU:23.24,(10.67,1.93,;9.34,2.7,;9.34,4.24,;8,5.01,;6.67,4.24,;6.67,2.7,;8,1.93,;5.33,1.93,;5.33,.39,;4,2.7,;2.67,1.93,;2.67,.39,;1.33,-.39,;,.39,;,1.93,;1.33,2.7,;-1.33,-.39,;-1.33,-1.93,;-2.67,-2.7,;-4,-1.93,;-5.33,-2.7,;-6.67,-1.93,;-6.67,-.39,;-8,-2.7,;-8,-4.24,;-9.34,-5.01,;-10.67,-4.24,;-10.67,-2.7,;-9.34,-1.93,;-8.57,-3.26,;-10.05,-3.66,;-4,-.39,;-2.67,.39,)|

BDBM125053

COc1ccc(NC(=O)Nc2ccc3cc(oc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:22.23,(9.94,-4,;8.4,-4,;7.63,-2.67,;6.09,-2.67,;5.32,-1.33,;6.09,,;5.32,1.33,;3.78,1.33,;3.01,,;3.01,2.67,;1.47,2.67,;.7,4,;-.84,4,;-1.61,2.67,;-3.11,2.35,;-3.27,.82,;-1.87,.19,;-.84,1.33,;.7,1.33,;-4.61,.05,;-4.61,-1.49,;-5.94,.82,;-7.28,.05,;-7.28,-1.49,;-8.61,-2.26,;-9.94,-1.49,;-9.94,.05,;-8.61,.82,;-7.89,-.53,;-9.38,-.93,;7.63,,;8.4,-1.33,)|

BDBM139019

COc1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:14.15,(6.48,-.87,;4.94,-.87,;4.17,.47,;4.94,1.8,;4.17,3.13,;2.63,3.13,;1.86,1.8,;.35,1.48,;.19,-.05,;1.6,-.68,;2.63,.47,;-1.14,-.82,;-1.14,-2.36,;-2.48,-.05,;-3.81,-.82,;-3.81,-2.36,;-5.14,-3.13,;-6.48,-2.36,;-6.48,-.82,;-5.14,-.05,;-4.37,-1.39,;-5.86,-1.78,)|

BDBM139020

Nc1ccc2cc(oc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(6.48,1.8,;4.94,1.8,;4.17,3.13,;2.63,3.13,;1.86,1.8,;.35,1.48,;.19,-.05,;1.6,-.68,;2.63,.47,;4.17,.47,;-1.14,-.82,;-1.14,-2.36,;-2.48,-.05,;-3.81,-.82,;-3.81,-2.36,;-5.14,-3.13,;-6.48,-2.36,;-6.48,-.82,;-5.14,-.05,;-4.4,-1.27,;-5.91,-1.8,)|

BDBM139021

[O-][N+](=O)c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:15.16,(4.24,-2.23,;4.99,-.89,;6.53,-.88,;4.21,.43,;4.94,1.8,;4.17,3.13,;2.63,3.13,;1.86,1.8,;.35,1.48,;.19,-.05,;1.6,-.68,;2.63,.47,;-1.14,-.82,;-1.14,-2.36,;-2.48,-.05,;-3.81,-.82,;-3.81,-2.36,;-5.14,-3.13,;-6.48,-2.36,;-6.48,-.82,;-5.14,-.05,;-4.4,-1.27,;-5.91,-1.8,)|

BDBM139022

Nc1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(5.71,-.87,;4.94,.47,;5.71,1.8,;4.94,3.13,;3.4,3.13,;2.63,1.8,;1.12,1.48,;.96,-.05,;2.37,-.68,;3.4,.47,;-.37,-.82,;-.37,-2.36,;-1.71,-.05,;-3.04,-.82,;-3.04,-2.36,;-4.37,-3.13,;-5.71,-2.36,;-5.71,-.82,;-4.37,-.05,;-3.63,-1.27,;-5.14,-1.8,)|

BDBM139023

Fc1ccc2oc(cc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(5.71,3.8,;4.94,2.47,;5.71,1.13,;4.94,-.2,;3.4,-.2,;2.37,-1.35,;.96,-.72,;1.12,.81,;2.63,1.13,;3.4,2.47,;-.37,-1.49,;-.37,-3.03,;-1.71,-.72,;-3.04,-1.49,;-3.04,-3.03,;-4.37,-3.8,;-5.71,-3.03,;-5.71,-1.49,;-4.37,-.72,;-3.6,-2.05,;-5.09,-2.45,)|

BDBM139024

Brc1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(5.71,-.87,;4.94,.47,;5.71,1.8,;4.94,3.13,;3.4,3.13,;2.63,1.8,;1.12,1.48,;.96,-.05,;2.37,-.68,;3.4,.47,;-.37,-.82,;-.37,-2.36,;-1.71,-.05,;-3.04,-.82,;-3.04,-2.36,;-4.37,-3.13,;-5.71,-2.36,;-5.71,-.82,;-4.37,-.05,;-3.6,-1.39,;-5.09,-1.78,)|

BDBM139025

O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3ccccc3c2o1 |r,wU:3.2,(-1.53,-2.36,;-1.53,-.82,;-2.86,-.05,;-4.2,-.82,;-4.2,-2.36,;-5.53,-3.13,;-6.86,-2.36,;-6.86,-.82,;-5.53,-.05,;-4.76,-1.39,;-6.25,-1.78,;-.19,-.05,;-.03,1.48,;1.47,1.8,;2.24,3.13,;3.78,3.13,;4.55,1.8,;6.09,1.8,;6.86,.47,;6.09,-.87,;4.55,-.87,;3.78,.47,;2.24,.47,;1.21,-.68,)|

BDBM139026

O=C(N[C@H]1CN2CCC1CC2)c1cc2ccccc2s1 |r,wU:3.2,(-.37,-2.36,;-.37,-.82,;-1.71,-.05,;-3.04,-.82,;-3.04,-2.36,;-4.37,-3.13,;-5.71,-2.36,;-5.71,-.82,;-4.37,-.05,;-3.6,-1.39,;-5.09,-1.78,;.96,-.05,;1.12,1.48,;2.63,1.8,;3.4,3.13,;4.94,3.13,;5.71,1.8,;4.94,.47,;3.4,.47,;2.37,-.68,)|

BDBM139027

Fc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(5.71,-.87,;4.94,.47,;5.71,1.8,;4.94,3.13,;3.4,3.13,;2.63,1.8,;1.12,1.48,;.96,-.05,;2.37,-.68,;3.4,.47,;-.37,-.82,;-.37,-2.36,;-1.71,-.05,;-3.04,-.82,;-3.04,-2.36,;-4.37,-3.13,;-5.71,-2.36,;-5.71,-.82,;-4.37,-.05,;-3.6,-1.39,;-5.14,-1.8,)|

BDBM139028

Fc1cccc2cc(sc12)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:13.14,(5.71,-.87,;4.94,.47,;5.71,1.8,;4.94,3.13,;3.4,3.13,;2.63,1.8,;1.12,1.48,;.96,-.05,;2.37,-.68,;3.4,.47,;-.37,-.82,;-.37,-2.36,;-1.71,-.05,;-3.04,-.82,;-3.04,-2.36,;-4.37,-3.13,;-5.71,-2.36,;-5.71,-.82,;-4.37,-.05,;-3.6,-1.39,;-5.14,-1.8,)|

BDBM139029

Nc1ccc2sc(cc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(5.71,3.8,;4.94,2.47,;5.71,1.13,;4.94,-.2,;3.4,-.2,;2.37,-1.35,;.96,-.72,;1.12,.81,;2.63,1.13,;3.4,2.47,;-.37,-1.49,;-.37,-3.03,;-1.71,-.72,;-3.04,-1.49,;-3.04,-3.03,;-4.37,-3.8,;-5.71,-3.03,;-5.71,-1.49,;-4.37,-.72,;-3.6,-2.05,;-5.14,-2.47,)|

BDBM139030

FC(F)(F)c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:16.17,(5.81,-2.2,;5.04,-.87,;3.71,-1.64,;6.37,-.1,;4.27,.47,;5.04,1.8,;4.27,3.13,;2.73,3.13,;1.96,1.8,;.45,1.48,;.29,-.05,;1.7,-.68,;2.73,.47,;-1.04,-.82,;-1.04,-2.36,;-2.37,-.05,;-3.71,-.82,;-3.71,-2.36,;-5.04,-3.13,;-6.37,-2.36,;-6.37,-.82,;-5.04,-.05,;-4.27,-1.39,;-5.81,-1.8,)|

BDBM139031

FC(F)(F)c1cccc2cc(sc12)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:16.17,(5.81,-2.2,;5.04,-.87,;3.71,-1.64,;6.37,-.1,;4.27,.47,;5.04,1.8,;4.27,3.13,;2.73,3.13,;1.96,1.8,;.45,1.48,;.29,-.05,;1.7,-.68,;2.73,.47,;-1.04,-.82,;-1.04,-2.36,;-2.37,-.05,;-3.71,-.82,;-3.71,-2.36,;-5.04,-3.13,;-6.37,-2.36,;-6.37,-.82,;-5.04,-.05,;-4.27,-1.39,;-5.81,-1.8,)|

BDBM139032

Nc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(5.71,-.87,;4.94,.47,;5.71,1.8,;4.94,3.13,;3.4,3.13,;2.63,1.8,;1.12,1.48,;.96,-.05,;2.37,-.68,;3.4,.47,;-.37,-.82,;-.37,-2.36,;-1.71,-.05,;-3.04,-.82,;-3.04,-2.36,;-4.37,-3.13,;-5.71,-2.36,;-5.71,-.82,;-4.37,-.05,;-3.6,-1.39,;-5.14,-1.8,)|

BDBM139033

Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(6.48,1.8,;4.94,1.8,;4.17,3.13,;2.63,3.13,;1.86,1.8,;.35,1.48,;.19,-.05,;1.6,-.68,;2.63,.47,;4.17,.47,;-1.14,-.82,;-1.14,-2.36,;-2.48,-.05,;-3.81,-.82,;-3.81,-2.36,;-5.14,-3.13,;-6.48,-2.36,;-6.48,-.82,;-5.14,-.05,;-4.37,-1.39,;-5.86,-1.78,)|

BDBM139034

Fc1ccc2sc(cc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(5.71,3.8,;4.94,2.47,;5.71,1.13,;4.94,-.2,;3.4,-.2,;2.37,-1.35,;.96,-.72,;1.12,.81,;2.63,1.13,;3.4,2.47,;-.37,-1.49,;-.37,-3.03,;-1.71,-.72,;-3.04,-1.49,;-3.04,-3.03,;-4.37,-3.8,;-5.71,-3.03,;-5.71,-1.49,;-4.37,-.72,;-3.6,-2.05,;-5.09,-2.45,)|

BDBM139035

COc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:14.15,(6.48,-.87,;4.94,-.87,;4.17,.47,;4.94,1.8,;4.17,3.13,;2.63,3.13,;1.86,1.8,;.35,1.48,;.19,-.05,;1.6,-.68,;2.63,.47,;-1.14,-.82,;-1.14,-2.36,;-2.48,-.05,;-3.81,-.82,;-3.81,-2.36,;-5.14,-3.13,;-6.48,-2.36,;-6.48,-.82,;-5.14,-.05,;-4.37,-1.39,;-5.86,-1.78,)|

BDBM139036

COc1cccc2cc(sc12)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:14.15,(6.48,-.87,;4.94,-.87,;4.17,.47,;4.94,1.8,;4.17,3.13,;2.63,3.13,;1.86,1.8,;.35,1.48,;.19,-.05,;1.6,-.68,;2.63,.47,;-1.14,-.82,;-1.14,-2.36,;-2.48,-.05,;-3.81,-.82,;-3.81,-2.36,;-5.14,-3.13,;-6.48,-2.36,;-6.48,-.82,;-5.14,-.05,;-4.37,-1.39,;-5.86,-1.78,)|

BDBM139037

Fc1cccc2sc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(2.63,3.8,;3.4,2.47,;4.94,2.47,;5.71,1.13,;4.94,-.2,;3.4,-.2,;2.37,-1.35,;.96,-.72,;1.12,.81,;2.63,1.13,;-.37,-1.49,;-.37,-3.03,;-1.71,-.72,;-3.04,-1.49,;-3.04,-3.03,;-4.37,-3.8,;-5.71,-3.03,;-5.71,-1.49,;-4.37,-.72,;-3.6,-2.05,;-5.09,-2.45,)|

BDBM139038

Fc1cc(F)c2sc(cc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:14.15,(5.71,3.8,;4.94,2.47,;5.71,1.13,;4.94,-.2,;5.71,-1.54,;3.4,-.2,;2.37,-1.35,;.96,-.72,;1.12,.81,;2.63,1.13,;3.4,2.47,;-.37,-1.49,;-.37,-3.03,;-1.71,-.72,;-3.04,-1.49,;-3.04,-3.03,;-4.37,-3.8,;-5.71,-3.03,;-5.71,-1.49,;-4.37,-.72,;-3.6,-2.05,;-5.09,-2.45,)|

BDBM139039

CC(=O)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:16.17,(5.32,-.87,;6.09,.47,;7.63,.47,;5.32,1.8,;3.78,1.8,;3.01,3.13,;1.47,3.13,;.7,1.8,;-.8,1.48,;-.96,-.05,;.44,-.68,;1.47,.47,;3.01,.47,;-2.3,-.82,;-2.3,-2.36,;-3.63,-.05,;-4.97,-.82,;-4.97,-2.36,;-6.3,-3.13,;-7.63,-2.36,;-7.63,-.82,;-6.3,-.05,;-5.53,-1.39,;-7.02,-1.78,)|

BDBM50397900

O=C(N1CC2CNCC2C1)c1ccco1

BDBM50397887

Brc1ccc(o1)C(=O)N1CC2CNCC2C1

BDBM50397917

O=C(N1CC2CNCC2C1)c1ccoc1

BDBM141847

[O-][N+](=O)c1ccc(o1)C(=O)N1CC2CNCC2C1

BDBM141848

COc1cc(on1)C(=O)N1CC2CNCC2C1

BDBM50397942

Brc1ccoc1C(=O)N1CC2CNCC2C1

BDBM50397890

Clc1ccc(o1)C(=O)N1CC2CNCC2C1

BDBM50397937

Cc1ccoc1C(=O)N1CC2CNCC2C1

BDBM141849

O=C(N1CC2CNCC2C1)c1ccc(o1)C#Cc1ccccc1

BDBM50397938

Cc1ccc(o1)C(=O)N1CC2CNCC2C1

BDBM141853

O=C(N1CC2CNCC2C1)c1cc(co1)-c1ccccc1

BDBM50397913

Cc1ncoc1C(=O)N1CC2CNCC2C1

BDBM141856

Cc1nocc1C(=O)N1CC2CNCC2C1

BDBM141858

Cc1occc1C(=O)N1CC2CNCC2C1

BDBM50397899

O=C(N1CC2CNCC(C2)C1)c1ccco1

BDBM50397895

O=C(N1CC2CNCC(C2)C1)c1ccncc1

BDBM50397933

Clc1ccc(o1)C(=O)N1CC2CNCC(C2)C1

BDBM153679

Brc1cccc2cc(NC(=O)CC3CN4CCC3CC4)sc12 |(3.29,-3.41,;4.06,-2.08,;5.6,-2.08,;6.37,-.75,;5.6,.59,;4.06,.59,;3.03,1.73,;1.63,1.1,;.29,1.87,;-1.04,1.1,;-1.04,-.44,;-2.37,1.87,;-3.71,1.1,;-3.71,-.44,;-5.04,-1.21,;-6.37,-.44,;-6.37,1.1,;-5.04,1.87,;-4.27,.54,;-5.81,.13,;1.79,-.43,;3.29,-.75,)|

BDBM153680

Brc1ccc2cc(NC(=O)CC3CN4CCC3CC4)sc2c1 |(6.37,-2.64,;5.6,-1.31,;6.37,.02,;5.6,1.36,;4.06,1.36,;3.03,2.5,;1.63,1.87,;.29,2.64,;-1.04,1.87,;-1.04,.33,;-2.37,2.64,;-3.71,1.87,;-3.71,.33,;-5.04,-.44,;-6.37,.33,;-6.37,1.87,;-5.04,2.64,;-5.88,1.38,;-4.36,.57,;1.79,.34,;3.29,.02,;4.06,-1.31,)|

BDBM153681

O=C(CC1CN2CCC1CC2)Nc1ccc2cccnc2c1 |(-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-6.1,.21,;-4.56,-.21,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,)|

BDBM153682

O=C(CC1CN2CCC1CC2)Nc1ccc2ccccc2c1 |(-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-6.1,.21,;-4.56,-.21,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,)|

BDBM153683

[O-][N+](=O)c1cccc2ccc(NC(=O)CC3CN4CCC3CC4)cc12 |(6.67,2.69,;5.33,1.92,;4,2.69,;5.33,.38,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-1.33,-1.93,;-2.67,.38,;-4,-.39,;-4,-1.93,;-5.33,-2.7,;-6.67,-1.93,;-6.67,-.39,;-5.33,.38,;-6.1,-.95,;-4.56,-1.36,;2.67,.39,;4,-.39,)|

BDBM86806

Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |TLB:4:13:16.17:19|

BDBM86805

Fc1ncc(cc1-c1cccc(Cl)c1)C1CC2CCC1N2 |TLB:4:14:17.18:20|

BDBM184560

Fc1ncc(cc1-c1cccc(c1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22|

BDBM184561

Fc1ncc(cc1-c1ccc(cc1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22|

BDBM50395221

Fc1ncc(cc1-c1ccc(cc1)C(F)(F)F)C1CC2CCC1N2 |THB:4:17:20.21:23|

BDBM50395220

CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23|

BDBM50171007

Fc1ncc(cc1-c1ccc(cc1)C#N)C1CC2CCC1N2 |TLB:4:15:21:19.18|

BDBM184563

NC(=O)c1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:11:16:19.20:22|

BDBM50395217

c1cc(ccc1c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4)C(=O)N

BDBM50395218

Fc1ncc(cc1-c1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CC2CCC1N2 |THB:4:20:23.24:26|

BDBM50395219

NS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23|

BDBM221048

c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4

BDBM221035

Fc1ncc(cc1-c1cccnc1)C1CC2CCC1N2 |THB:4:13:16.17:19|

BDBM221036

Fc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20|

BDBM221037

Fc1ncc(cc1-c1ccc(Cl)nc1)C1CC2CCC1N2 |THB:4:14:17.18:20|

BDBM221038

Nc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20|

BDBM221039

COc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:10:15:18.19:21|

BDBM221040

Fc1ncc(cc1-c1ccncc1)C1CC2CCC1N2 |THB:4:13:16.17:19|

BDBM221041

Fc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20|

BDBM221042

Fc1ncc(cc1-c1ccnc(Cl)c1)C1CC2CCC1N2 |THB:4:14:17.18:20|

BDBM221043

Nc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20|

BDBM221044

COc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:10:15:18.19:21|

BDBM221045

C1CC2NC1CC2c1cncc(c1)-c1cncnc1 |THB:7:6:0.1:3|

BDBM221046

Fc1ncc(cc1-c1cncnc1)C1CC2CCC1N2 |THB:4:13:16.17:19|

BDBM221049

Clc1ncc(cc1-c1cncnc1)C1CC2CCC1N2 |THB:4:13:16.17:19|

BDBM50382474

OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 |r|

BDBM50428082

CCCCC#Cc1cnc(C)c(OC[C@H]2CCN2)c1 |r|

BDBM50428085

CCCCC#Cc1cnc(C)c(OC[C@@H]2CCN2)c1 |r|

BDBM50428084

CCCCC#Cc1cnc(C)c(OC[C@H]2CCCN2)c1 |r|

BDBM50428083

CCCCC#Cc1cnc(C)c(OC[C@@H]2CCCN2)c1 |r|

BDBM50428079

Cc1ncc(cc1OC[C@@H]1CCN1)C#CC1CC1 |r|

BDBM50428081

Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCO |r|

BDBM50428080

Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCF |r|

BDBM50428086

Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl |r|

BDBM247999

O=C(OCC12CCN(CC1)CC2)c1c[nH]c2ccccc12

BDBM248000

Clc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1

BDBM248001

COc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248002

Fc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248003

Fc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1

BDBM248004

Fc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248005

Oc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248006

Oc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1

BDBM248007

COc1cccc2c(c[nH]c12)C(=O)OCC12CCN(CC1)CC2

BDBM248009

COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1

BDBM248010

Cc1cccc2c(c[nH]c12)C(=O)OCC12CCN(CC1)CC2

BDBM248011

Cc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1

BDBM247958

Cc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248012

Brc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248013

Brc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1

BDBM247959

Brc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248014

Clc1cccc2c(c[nH]c12)C(=O)OCC12CCN(CC1)CC2

BDBM248015

Clc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248017

O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc(ccc12)C#N

BDBM248018

FC(F)(F)Oc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248019

O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc3OCCOc3cc12

BDBM248020

FC(F)Oc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248021

COc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1F

BDBM248022

COc1cc(F)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247960

COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1C

BDBM247988

Clc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248023

COc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM247961

COc1cc(C)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247989

COc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248024

COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl

BDBM247962

COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1OC

BDBM247963

Fc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247964

Clc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247965

Cc1c(F)ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM247966

Cc1cc(F)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248025

Cc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247990

Oc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247967

COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Br

BDBM247968

COc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247969

Cc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247970

Cc1cc(Cl)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248026

Fc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1F

BDBM248027

Fc1cc2c(c[nH]c2cc1Cl)C(=O)OCC12CCN(CC1)CC2

BDBM247971

Oc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247972

Cc1cc(C)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248028

Cc1cc2c(c[nH]c2cc1O)C(=O)OCC12CCN(CC1)CC2

BDBM248029

COc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1C

BDBM248030

COc1cc2c(c[nH]c2cc1F)C(=O)OCC12CCN(CC1)CC2

BDBM248031

Cc1cc2c(c[nH]c2cc1F)C(=O)OCC12CCN(CC1)CC2

BDBM248032

Oc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1F

BDBM247973

Cc1cc(cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12)C#N

BDBM247974

O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cccc(C3CC3)c12

BDBM247991

Fc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl

BDBM247992

Cc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl

BDBM247993

Fc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247994

Cc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248033

Cc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1Cl

BDBM247975

Fc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Br

BDBM247976

Cc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Br

BDBM248034

COc1cc2c(c[nH]c2cc1Cl)C(=O)OCC12CCN(CC1)CC2

BDBM247977

Cc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1C

BDBM247995

Clc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248035

Cc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1F

BDBM248036

Cc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1C

BDBM247996

COc1cc(Cl)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM247978

COc1c(C)ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248037

COc1cc2c(c[nH]c2cc1C#N)C(=O)OCC12CCN(CC1)CC2

BDBM247997

COc1cc(cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12)C#N

BDBM248038

Cc1cc2c(c[nH]c2cc1Cl)C(=O)OCC12CCN(CC1)CC2

BDBM248039

COc1cc2c(c[nH]c2cc1C)C(=O)OCC12CCN(CC1)CC2

BDBM247979

FC(F)(F)c1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM247998

COc1cc(F)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM247980

Cc1cc(O)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248040

Cc1cc2c(c[nH]c2cc1C#N)C(=O)OCC12CCN(CC1)CC2

BDBM248041

COc1cc(C)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248042

COc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1OC

BDBM247981

COc1c(OCC(F)(F)F)ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM247982

Cc1cc(OC(=O)C(C)(C)C)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248043

FC(F)(F)c1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247983

COCCOc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1C

BDBM247984

COCCCOc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1C

BDBM247985

CC(=O)Nc1cc(C)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247986

Cc1c(OCC(F)(F)F)ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM247987

Cc1c(OCCO)ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM410095

C1CN2CCC1[C@H](C2)Nc1noc2ccccc12 |r,wU:6.9,(-.03,-5,;-.03,-6.54,;1.31,-7.31,;.59,-5.96,;2.08,-5.56,;1.31,-4.23,;2.64,-5,;2.64,-6.54,;3.97,-4.23,;5.31,-5,;5.31,-6.54,;6.77,-7.01,;7.68,-5.77,;9.21,-5.6,;9.84,-4.2,;8.93,-2.95,;7.4,-3.11,;6.77,-4.52,)|

BDBM410096

C1CN2CCC1[C@@H](C2)Nc1noc2ccccc12 |r,wD:6.9,(-.03,-5,;-.03,-6.54,;1.31,-7.31,;.59,-5.96,;2.08,-5.56,;1.31,-4.23,;2.64,-5,;2.64,-6.54,;3.97,-4.23,;5.31,-5,;5.31,-6.54,;6.77,-7.01,;7.68,-5.77,;9.21,-5.6,;9.84,-4.2,;8.93,-2.95,;7.4,-3.11,;6.77,-4.52,)|

BDBM410097

Clc1cccc2c(N[C@H]3CN4CCC3CC4)noc12 |r,wU:8.7,(9.64,-6.36,;8.74,-5.11,;9.37,-3.71,;8.46,-2.46,;6.93,-2.62,;6.3,-4.03,;4.84,-4.5,;3.5,-3.73,;2.17,-4.5,;2.17,-6.04,;.84,-6.81,;-.5,-6.04,;-.5,-4.5,;.84,-3.73,;1.61,-5.07,;.12,-5.47,;4.84,-6.04,;6.3,-6.52,;7.21,-5.27,)|

BDBM410099

Clc1ccc2c(NC3CN4CCC3CC4)noc2c1 |(9.64,-3.27,;8.16,-3.67,;7.25,-2.42,;5.72,-2.58,;5.09,-3.99,;3.63,-4.47,;2.3,-3.7,;.96,-4.47,;.96,-6.01,;-.37,-6.78,;-1.71,-6.01,;-1.71,-4.47,;-.37,-3.7,;.4,-5.03,;-1.09,-5.43,;3.63,-6.01,;5.09,-6.48,;6,-5.24,;7.53,-5.08,)|

BDBM410100

Clc1ccc2c(N[C@@H]3CN4CCC3CC4)noc2c1 |r,wD:7.6,(9.64,-3.27,;8.16,-3.67,;7.25,-2.42,;5.72,-2.58,;5.09,-3.99,;3.63,-4.47,;2.3,-3.7,;.96,-4.47,;.96,-6.01,;-.37,-6.78,;-1.71,-6.01,;-1.71,-4.47,;-.37,-3.7,;.4,-5.03,;-1.09,-5.43,;3.63,-6.01,;5.09,-6.48,;6,-5.24,;7.53,-5.08,)|

BDBM410104

Cc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:7.6,(9.85,-2.39,;8.34,-2.71,;7.31,-1.56,;5.8,-1.88,;5.33,-3.35,;3.92,-3.97,;2.59,-3.2,;1.25,-3.97,;1.25,-5.51,;-.08,-6.28,;-1.41,-5.51,;-1.41,-3.97,;-.08,-3.2,;.69,-4.54,;-.8,-4.93,;4.08,-5.5,;5.59,-5.82,;6.36,-4.49,;7.86,-4.17,)|

BDBM410105

Cc1ccc2c(N[C@@H]3CN4CCC3CC4)noc2c1 |r,wD:7.6,(9.85,-2.39,;8.34,-2.71,;7.31,-1.56,;5.8,-1.88,;5.33,-3.35,;3.92,-3.97,;2.59,-3.2,;1.25,-3.97,;1.25,-5.51,;-.08,-6.28,;-1.41,-5.51,;-1.41,-3.97,;-.08,-3.2,;.69,-4.54,;-.8,-4.93,;4.08,-5.5,;5.59,-5.82,;6.36,-4.49,;7.86,-4.17,)|

BDBM410106

C1CC1c1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:9.9,(9.83,-3.39,;9.51,-1.89,;8.37,-2.92,;6.86,-3.24,;5.83,-2.09,;4.33,-2.41,;3.85,-3.88,;2.44,-4.51,;1.11,-3.74,;-.22,-4.51,;-.22,-6.05,;-1.56,-6.82,;-2.89,-6.05,;-2.89,-4.51,;-1.56,-3.74,;-.79,-5.07,;-2.28,-5.47,;2.6,-6.04,;4.11,-6.36,;4.88,-5.02,;6.39,-4.7,)|

BDBM410107

C1CC1c1ccc2c(N[C@@H]3CN4CCC3CC4)noc2c1 |r,wD:9.9,(9.83,-3.39,;9.51,-1.89,;8.37,-2.92,;6.86,-3.24,;5.83,-2.09,;4.33,-2.41,;3.85,-3.88,;2.44,-4.51,;1.11,-3.74,;-.22,-4.51,;-.22,-6.05,;-1.56,-6.82,;-2.89,-6.05,;-2.89,-4.51,;-1.56,-3.74,;-.79,-5.07,;-2.28,-5.47,;2.6,-6.04,;4.11,-6.36,;4.88,-5.02,;6.39,-4.7,)|

BDBM410108

COc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:8.7,(9.52,-1.64,;9.04,-3.1,;7.54,-3.42,;6.5,-2.28,;5,-2.6,;4.52,-4.06,;3.12,-4.69,;1.78,-3.92,;.45,-4.69,;.45,-6.23,;-.89,-7,;-2.22,-6.23,;-2.22,-4.69,;-.89,-3.92,;-.12,-5.25,;-1.6,-5.65,;3.28,-6.22,;4.78,-6.54,;5.55,-5.2,;7.06,-4.88,)|

BDBM410109

COc1ccc2c(N[C@@H]3CN4CCC3CC4)noc2c1 |r,wD:8.7,(9.52,-1.64,;9.04,-3.1,;7.54,-3.42,;6.5,-2.28,;5,-2.6,;4.52,-4.06,;3.12,-4.69,;1.78,-3.92,;.45,-4.69,;.45,-6.23,;-.89,-7,;-2.22,-6.23,;-2.22,-4.69,;-.89,-3.92,;-.12,-5.25,;-1.6,-5.65,;3.28,-6.22,;4.78,-6.54,;5.55,-5.2,;7.06,-4.88,)|

BDBM410112

Clc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1Cl |r,wU:7.6,(9.64,-2.82,;8.14,-3.14,;7.11,-1.99,;5.6,-2.31,;5.13,-3.78,;3.72,-4.4,;2.38,-3.63,;1.05,-4.4,;1.05,-5.94,;-.28,-6.71,;-1.62,-5.94,;-1.62,-4.4,;-.28,-3.63,;.49,-4.97,;-1,-5.36,;3.88,-5.93,;5.39,-6.25,;6.16,-4.92,;7.66,-4.6,;8.69,-5.75,)|

BDBM410113

Clc1ccc2c(N[C@@H]3CN4CCC3CC4)noc2c1Cl |r,wD:7.6,(9.64,-2.82,;8.14,-3.14,;7.11,-1.99,;5.6,-2.31,;5.13,-3.78,;3.72,-4.4,;2.38,-3.63,;1.05,-4.4,;1.05,-5.94,;-.28,-6.71,;-1.62,-5.94,;-1.62,-4.4,;-.28,-3.63,;.49,-4.97,;-1,-5.36,;3.88,-5.93,;5.39,-6.25,;6.16,-4.92,;7.66,-4.6,;8.69,-5.75,)|

BDBM410115

Fc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:7.6,(9.64,-2.82,;8.14,-3.14,;7.11,-1.99,;5.6,-2.31,;5.13,-3.78,;3.72,-4.4,;2.38,-3.63,;1.05,-4.4,;1.05,-5.94,;-.28,-6.71,;-1.62,-5.94,;-1.62,-4.4,;-.28,-3.63,;.49,-4.97,;-1,-5.36,;3.88,-5.93,;5.39,-6.25,;6.16,-4.92,;7.66,-4.6,)|

BDBM410123

Fc1cccc2c(N[C@H]3CN4CCC3CC4)noc12 |r,wU:8.7,TLB:7:8:11.12:14.15,(2.47,-3.45,;1.35,-2.52,;1.6,-1,;.41,-.03,;-1.03,-.57,;-1.28,-2.09,;-2.58,-2.91,;-4.01,-2.35,;-5.22,-3.31,;-4.93,-4.73,;-6.33,-4.09,;-6.07,-2.15,;-6.52,-1.02,;-6.59,-2.69,;-8.1,-3.35,;-7.9,-4.76,;-2.35,-4.44,;-.9,-4.52,;-.09,-3.06,)|

BDBM410127

Cc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1F |r,wU:7.6,TLB:6:7:10.11:13.14,(2.96,-.49,;1.6,-1,;.41,-.03,;-1.03,-.57,;-1.28,-2.09,;-2.58,-2.91,;-4.01,-2.35,;-5.22,-3.31,;-4.93,-4.73,;-6.33,-4.09,;-6.07,-2.15,;-6.53,-1.02,;-6.6,-2.69,;-8.1,-3.35,;-7.9,-4.76,;-2.35,-4.44,;-.9,-4.52,;-.09,-3.06,;1.35,-2.52,;2.47,-3.45,)|

BDBM410128

Fc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1F |r,wU:7.6,TLB:6:7:10.11:13.14,(2.96,-.49,;1.6,-1,;.41,-.03,;-1.03,-.57,;-1.28,-2.09,;-2.58,-2.91,;-4.01,-2.35,;-5.22,-3.31,;-4.93,-4.73,;-6.33,-4.09,;-6.07,-2.15,;-6.52,-1.02,;-6.59,-2.69,;-8.1,-3.35,;-7.9,-4.76,;-2.35,-4.44,;-.9,-4.52,;-.09,-3.06,;1.35,-2.52,;2.47,-3.45,)|

BDBM410129

Cc1cc2onc(N[C@H]3CN4CCC3CC4)c2cc1F |r,wU:8.7,TLB:7:8:11.12:14.15,(2.96,-.49,;1.6,-1,;1.35,-2.52,;-.09,-3.06,;-.9,-4.52,;-2.35,-4.44,;-2.58,-2.91,;-4.01,-2.35,;-5.22,-3.31,;-4.93,-4.73,;-6.33,-4.09,;-6.07,-2.15,;-6.53,-1.02,;-6.6,-2.69,;-8.1,-3.35,;-7.9,-4.76,;-1.28,-2.09,;-1.03,-.57,;.41,-.03,;.65,1.41,)|

BDBM410130

Oc1c(Cl)ccc2c(N[C@H]3CN4CCC3CC4)noc12 |r,wU:9.8,TLB:8:9:12.13:15.16,(2.47,-3.45,;1.35,-2.52,;1.6,-1,;2.96,-.49,;.41,-.03,;-1.03,-.57,;-1.28,-2.09,;-2.58,-2.91,;-4.01,-2.35,;-5.22,-3.31,;-4.93,-4.73,;-6.33,-4.09,;-6.07,-2.15,;-6.52,-1.02,;-6.59,-2.69,;-8.1,-3.35,;-7.9,-4.76,;-2.35,-4.44,;-.9,-4.52,;-.09,-3.06,)|

BDBM410131

COc1c(Cl)ccc2c(N[C@H]3CN4CCC3CC4)noc12 |r,wU:10.9,TLB:9:10:13.14:16.17,(2.23,-4.88,;2.47,-3.45,;1.35,-2.52,;1.6,-1,;2.96,-.49,;.41,-.03,;-1.03,-.57,;-1.28,-2.09,;-2.58,-2.91,;-4.01,-2.35,;-5.22,-3.31,;-4.93,-4.73,;-6.33,-4.09,;-6.07,-2.15,;-6.52,-1.02,;-6.59,-2.69,;-8.1,-3.35,;-7.9,-4.76,;-2.35,-4.44,;-.9,-4.52,;-.09,-3.06,)|

BDBM410132

FC(F)(F)c1c(Cl)ccc2c(N[C@H]3CN4CCC3CC4)noc12 |r,wU:12.11,TLB:11:12:15.16:18.19,(2.23,-4.88,;2.47,-3.45,;3.83,-2.94,;3.59,-4.37,;1.35,-2.52,;1.6,-1,;2.96,-.49,;.41,-.03,;-1.03,-.57,;-1.28,-2.09,;-2.58,-2.91,;-4.01,-2.35,;-5.22,-3.31,;-4.93,-4.73,;-6.33,-4.09,;-6.07,-2.15,;-6.53,-1.02,;-6.6,-2.69,;-8.1,-3.35,;-7.9,-4.76,;-2.35,-4.44,;-.9,-4.52,;-.09,-3.06,)|

BDBM410133

Clc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1C1CC1 |r,wU:7.6,TLB:6:7:10.11:13.14,(2.96,-.49,;1.6,-1,;.41,-.03,;-1.03,-.57,;-1.28,-2.09,;-2.58,-2.91,;-4.01,-2.35,;-5.22,-3.31,;-4.93,-4.73,;-6.33,-4.09,;-6.07,-2.15,;-6.53,-1.02,;-6.6,-2.69,;-8.1,-3.35,;-7.9,-4.76,;-2.35,-4.44,;-.9,-4.53,;-.09,-3.06,;1.35,-2.52,;2.47,-3.45,;2.98,-4.81,;3.91,-3.69,)|

BDBM410136

COc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1F |r,wU:8.7,TLB:7:8:11.12:14.15,(3.32,1.08,;3.08,-.36,;1.72,-.87,;.54,.11,;-.91,-.43,;-1.16,-1.95,;-2.46,-2.77,;-3.89,-2.21,;-5.1,-3.17,;-4.81,-4.59,;-6.21,-3.95,;-5.95,-2.01,;-6.4,-.88,;-6.47,-2.55,;-7.97,-3.21,;-7.77,-4.62,;-2.23,-4.3,;-.78,-4.39,;.03,-2.92,;1.47,-2.38,;2.59,-3.31,)|

BDBM410137

COc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1Cl |r,wU:8.7,TLB:7:8:11.12:14.15,(3.32,1.08,;3.08,-.36,;1.72,-.87,;.54,.11,;-.91,-.43,;-1.16,-1.95,;-2.46,-2.77,;-3.89,-2.21,;-5.1,-3.17,;-4.81,-4.59,;-6.21,-3.95,;-5.95,-2.01,;-6.4,-.88,;-6.47,-2.55,;-7.97,-3.21,;-7.77,-4.62,;-2.23,-4.3,;-.78,-4.39,;.03,-2.92,;1.47,-2.38,;2.59,-3.31,)|

BDBM410139

Cc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1Cl |r,wU:7.6,TLB:6:7:10.11:13.14,(3.34,-.16,;1.98,-.67,;.79,.31,;-.65,-.23,;-.9,-1.75,;-2.2,-2.58,;-3.63,-2.02,;-4.84,-2.98,;-4.55,-4.4,;-5.95,-3.75,;-5.69,-1.81,;-6.15,-.68,;-6.22,-2.35,;-7.72,-3.01,;-7.52,-4.42,;-1.97,-4.1,;-.52,-4.19,;.29,-2.73,;1.73,-2.19,;2.85,-3.11,)|

BDBM410142

CCOc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:9.8,TLB:8:9:12.13:15.16,(5.22,1.96,;3.86,1.45,;3.62,.02,;2.26,-.49,;1.07,.48,;-.37,-.06,;-.63,-1.57,;-1.93,-2.4,;-3.36,-1.84,;-4.56,-2.8,;-4.28,-4.22,;-5.68,-3.58,;-5.42,-1.64,;-5.87,-.51,;-5.94,-2.18,;-7.44,-2.84,;-7.24,-4.25,;-1.7,-3.93,;-.25,-4.01,;.56,-2.55,;2,-2.01,)|

BDBM410144

Fc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1Cl |r,wU:7.6,TLB:6:7:10.11:13.14,(3.62,.02,;2.26,-.49,;1.07,.48,;-.37,-.06,;-.63,-1.57,;-1.93,-2.4,;-3.36,-1.84,;-4.56,-2.8,;-4.28,-4.22,;-5.67,-3.58,;-5.41,-1.64,;-5.87,-.51,;-5.94,-2.18,;-7.44,-2.84,;-7.24,-4.25,;-1.7,-3.93,;-.25,-4.01,;.56,-2.55,;2,-2.01,;3.13,-2.94,)|

BDBM410147

CCOc1c(Cl)ccc2c(N[C@H]3CN4CCC3CC4)noc12 |r,wU:11.10,TLB:10:11:14.15:17.18,(1.61,-4.72,;2.97,-4.21,;3.21,-2.78,;2.09,-1.86,;2.34,-.34,;3.7,.17,;1.15,.64,;-.29,.1,;-.55,-1.42,;-1.84,-2.25,;-3.28,-1.68,;-4.48,-2.64,;-4.2,-4.07,;-5.59,-3.42,;-5.33,-1.48,;-5.79,-.35,;-5.86,-2.02,;-7.36,-2.68,;-7.16,-4.09,;-1.62,-3.77,;-.17,-3.86,;.64,-2.4,)|

BDBM410148

Fc1c(Cl)ccc2c(N[C@H]3CN4CCC3CC4)noc12 |r,wU:9.8,TLB:8:9:12.13:15.16,(3.31,-2.68,;2.19,-1.76,;2.44,-.24,;3.8,.27,;1.25,.74,;-.19,.2,;-.44,-1.32,;-1.74,-2.15,;-3.17,-1.59,;-4.38,-2.55,;-4.09,-3.97,;-5.49,-3.32,;-5.23,-1.38,;-5.69,-.25,;-5.76,-1.92,;-7.26,-2.58,;-7.06,-3.99,;-1.51,-3.67,;-.06,-3.76,;.75,-2.3,)|

BDBM410150

Fc1cc2c(N[C@H]3CN4CCC3CC4)noc2cc1Cl |r,wU:6.5,TLB:5:6:9.10:12.13,(1.59,2.26,;1.35,.83,;-.09,.29,;-.34,-1.23,;-1.64,-2.06,;-3.08,-1.49,;-4.28,-2.45,;-3.99,-3.88,;-5.39,-3.23,;-5.13,-1.29,;-5.59,-.16,;-5.66,-1.83,;-7.16,-2.49,;-6.96,-3.9,;-1.41,-3.58,;.04,-3.67,;.85,-2.21,;2.29,-1.67,;2.54,-.15,;3.9,.36,)|

BDBM410152

Brc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:7.6,TLB:6:7:10.11:13.14,(4.08,.45,;2.72,-.06,;1.53,.92,;.09,.38,;-.16,-1.14,;-1.46,-1.97,;-2.9,-1.4,;-4.1,-2.36,;-3.82,-3.79,;-5.21,-3.14,;-4.95,-1.2,;-5.41,-.07,;-5.48,-1.74,;-6.98,-2.4,;-6.78,-3.81,;-1.23,-3.49,;.22,-3.58,;1.02,-2.12,;2.47,-1.58,)|

BDBM501527

CC(C)c1cccc(n1)C1CC1c1ccc(cc1)S(N)(=O)=O

BDBM501583

NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(n1)N1CCOCC1

BDBM501584

NS(=O)(=O)c1ccc(cc1)C1CC1c1cccc(n1)C1CCCC1

BDBM501585

NS(=O)(=O)c1ccc(cc1)C1CC1c1ccc(cn1)C1CCCC1

BDBM501586

CC(C)c1ccnc(n1)C1CC1c1ccc(cc1)S(N)(=O)=O

BDBM501587

NS(=O)(=O)c1ccc(cc1)C1CC1c1ccc(nc1)N1CCCC1

BDBM501588

Cc1nc(no1)-c1cccc(c1)C1CC1c1ccc(cc1)S(N)(=O)=O

BDBM501589

CC(C)c1cc(ccn1)C1CC1c1ccc(cc1)S(N)(=O)=O

BDBM501590

CC1(C)[C@@H]([C@H]1c1nccc(n1)-c1cncc(c1)C(F)(F)F)c1ccc(cc1)S(N)(=O)=O |r|

BDBM501591

NS(=O)(=O)c1ccc(cc1)C1CC1c1nccc(n1)-c1cccc(F)c1

BDBM501592

NS(=O)(=O)c1ccc(cc1)C1CC1c1nccc(n1)-c1cncc(c1)C(F)(F)F

BDBM501594

CC(C)c1ccnc(c1)C1CC1c1ccc(cc1)S(N)(=O)=O

BDBM501595

CC(C)c1ccc(nc1)C1CC1c1ccc(cc1)S(N)(=O)=O

BDBM501596

CC(C)c1cccnc1C1CC1c1ccc(cc1)S(N)(=O)=O

BDBM501597

NS(=O)(=O)c1ccc(cc1)C1CC1c1cccc(n1)-c1cc[nH]n1

BDBM501598

NS(=O)(=O)c1ccc(cc1)C1CC1c1cccc(n1)C1CCOCC1

BDBM501601

CC(C)c1ccc(cn1)C1C(C1[Si](C)(C)C)c1ccc(cc1)S(N)(=O)=O

BDBM501602

CC(C)c1ccc(nn1)C1CC1c1ccc(cc1)S(N)(=O)=O

BDBM501603

CC(C)c1cnc(nc1)[C@H]1C[C@H]1c1ccc(cc1)S(N)(=O)=O |r|

BDBM501605

NS(=O)(=O)c1ccc(cc1)[C@@H]1C[C@@H]1c1nccc(n1)-c1cccc(F)c1 |r|

BDBM501607

NS(=O)(=O)c1ccc(cc1)[C@H]1[C@H](c2nccc(n2)-c2cccc(F)c2)C1(F)F |r|

BDBM501608

CN(C)c1nccc(n1)C1CC1c1ccc(cc1)S(N)(=O)=O

BDBM501609

NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(NC2CCCC2)n1

BDBM501610

CC(C)(C)OC(=O)N1CCN(CC1)c1nccc(n1)C1CC1c1ccc(cc1)S(N)(=O)=O

BDBM501611

CC(C)(C)CNc1nccc(n1)C1CC1c1ccc(cc1)S(N)(=O)=O

BDBM501612

NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(n1)N1CCCC1

BDBM501613

NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(Nc2ccc(F)cc2)n1

BDBM501614

NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(NCCc2ccccc2)n1

BDBM501615

NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(Nc2ccccc2)n1

BDBM501616

NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(c1)C1CCC1

BDBM501617

NS(=O)(=O)c1ccc(cc1)C1CC1c1ccc(cc1)-n1ccnc1

BDBM501618

NS(=O)(=O)c1ccc(cc1)C1CC1c1cccc(c1)-n1cncn1

BDBM501619

NS(=O)(=O)c1ccc(cc1)C1CC1c1cncc(c1)N1CCCC1

BDBM501620

NS(=O)(=O)c1ccc(cc1)C1CC1c1ccc(nc1)-n1cccn1

BDBM501621

CC(C)Oc1ccc(cn1)C1CC1c1ccc(cc1)S(N)(=O)=O

BDBM501622

CC(C)(C#N)c1ccc(cn1)C1CC1c1ccc(cc1)S(N)(=O)=O

BDBM604893

COc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604894

O=c1cc(NCc2ccccc2)cc2[C@@H]3CNCC(C3)Cn12 |r|

BDBM604899

Ic1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604900

Clc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604901

Brc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604915

Cc1ccc(cc1)-c1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604916

O=c1cc(cc2[C@@H]3CNCC(C3)Cn12)-c1cccnc1 |r|

BDBM604918

O=c1cc(cc2[C@@H]3CNCC(C3)Cn12)-c1ccccn1 |r|

BDBM604920

O=c1cc(cc2[C@@H]3CNCC(C3)Cn12)-c1ccncc1 |r|

BDBM604931

O=c1cc(cc2[C@@H]3CNCC(C3)Cn12)N1CCOCC1 |r|

BDBM604932

O=c1cc(cc2[C@@H]3CNCC(C3)Cn12)N1CCNCC1 |r|

BDBM604933

Oc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604934

Nc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604935

CNc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604936

CN(C)c1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604937

O=c1cc(cc2[C@@H]3CNCC(C3)Cn12)C#N |r|

BDBM604938

NC(=O)c1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604939

O=c1cc(cc2[C@@H]3CNCC(C3)Cn12)-c1nnn[nH]1 |r|

BDBM604940

FC(F)(F)c1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604941

COC(=O)c1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604942

OC(=O)c1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604943

O=C(Nc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1)c1ccccc1 |r|

BDBM604945

CC(=O)Nc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604948

NCc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604949

O=c1cc(CNCc2ccn(C3CCCNC3)c(=O)c2)cc2C3CNCC(C3)Cn12 |THB:20:21:27:23.25.24|

BDBM604950

FC(F)(F)Cc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604951

O=c1cc(cc2[C@@H]3CNCC(C3)Cn12)C#C |r|

BDBM604952

O=c1cc(\C=C\c2ccccc2)cc2[C@@H]3CNCC(C3)Cn12 |r|

BDBM604953

CCOC(=O)\C=C\c1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604954

Brc1c(I)cc2[C@@H]3CNCC(C3)Cn2c1=O |r|

BDBM604955

FC(F)(F)c1c(Br)cc2[C@@H]3CNCC(C3)Cn2c1=O |r|

BDBM604956

Fc1c(F)c(F)c(c(F)c1F)-c1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604957

C=Cc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604958

CCc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604959

OC(=O)[C@@H]1CCCN1c1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604960

O=c1cc(cc2[C@@H]3CNCC(C3)Cn12)C#Cc1ccccc1 |r|

BDBM604961

Cc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604962

O=c1cc(cc2[C@@H]3CNCC(C3)Cn12)-n1ccccc1=O |r|

BDBM604963

NCC(=O)Nc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604964

OCc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604965

O=c1cc(CCc2ccccc2)cc2[C@@H]3CNCC(C3)Cn12 |r|

BDBM604966

CN(Cc1cc2C3CNC[C@H](C3)Cn2c(=O)c1)Cc1cc2[C@H]3CNC[C@@H](C3)Cn2c(=O)c1 |r|

BDBM604967

CN(C)Cc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604969

CC(=O)NCc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604970

CCNC1=CC(=O)N2CC3CNC[C@H](C3)[C@@H]2C1 |r,t:3|

BDBM604971

CNCc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1 |r|

BDBM604972

FC(F)(F)c1ccc(COCc2cc3[C@@H]4CNCC(C4)Cn3c(=O)c2)cc1 |r|

BDBM604973

CNc1cc2[C@@H]3CNCC(C3)Cn2c(=O)c1Br |r|

BDBM703440

CCOc1ccc([C@H](COC)NC(=O)C2C3Cc4ccccc4C32)cc1

BDBM703441

CCOc1ccc([C@@H](COC)NC(=O)C2C3Cc4ccccc4C32)cc1

BDBM703442

O=C(N[C@@H](CO)C1CCCCC1)C1C2COc3ccc(F)cc3C21

BDBM703443

COc1cc([C@@H](NC(=O)C2C3COc4ccc(F)cc4C32)C(F)(F)F)ccn1

BDBM703444

CCOc1ccc([C@H](COC)NC(=O)C2C3Oc4ccc(-c5nn[nH]n5)cc4C32)cc1

BDBM703445

CCOc1ccc([C@H](COC)NC(=O)C2C3Oc4ccc(-c5nnn(Cc6ccccc6)n5)cc4C32)cc1

BDBM703446

O=C(NCc1nc(-c2ccccc2)no1)C1C2Oc3ccc(F)cc3C21

BDBM703447

O=C(NC1(c2ccc(F)cc2)CCC1)C1C2Oc3ccccc3C21

BDBM703448

O=C(NC1(c2ccc(F)cc2)CCC1)C1C2Oc3ccc(F)cc3C21

BDBM703449

CCOc1ccc(C(CO)NC(=O)C2C3Oc4ccc(F)cc4C32)cc1

BDBM703450

O=C(NC1(c2ccc(F)cc2)CC(O)C1)C1C2Oc3ccccc3C21

BDBM703451

O=C(NC(CO)C1CCCCC1)C1C2Oc3ccccc3C21

BDBM703452

O=C(NC(C(F)F)C1CCCCC1)C1C2Oc3ccc(F)cc3C21

BDBM703453

O=C(NC1(c2ccccc2)CCC1)C1C2Oc3ccc(F)cc3C21

BDBM703454

O=C(NC1(c2ccc(F)cc2)CC1)C1C2Oc3ccc(F)cc3C21

BDBM703455

CCOc1ccc(C2(NC(=O)C3C4Oc5ccccc5C43)CCC2)cc1

BDBM703456

COc1cccc(C2(NC(=O)C3C4Oc5ccccc5C43)CCC2)c1

BDBM703457

Cc1ccc(C(NC(=O)C2C3Oc4ccc(F)cc4C32)C(F)(F)F)cn1

BDBM703458

CCOc1ccc(C(NC(=O)C2C3Oc4ccc(F)cc4C32)C(F)F)cn1

BDBM703459

CCC(NC(=O)C1C2Oc3ccc(F)cc3C21)c1ccc(C)nc1

BDBM703460

COc1cccc(OC)c1CNC(=O)C1C2Oc3ccccc3C21

BDBM703461

CC(C)(NC(=O)C1C2Oc3ccc(F)cc3C21)c1cccc(Cl)c1

BDBM703462

O=C(NC1CCOc2cc(F)c(F)cc21)C1C2Oc3ccccc3C21

BDBM703463

CC(F)C(NC(=O)C1C2Oc3ccccc3C21)C1CCCCC1

BDBM703464

CCOc1ccc(C(COC)NC(=O)C2C3Oc4ccccc4C32)cc1

BDBM703465

CCOc1ccc(C(COC)NC(=O)[C@H]2C3Oc4ccccc4C32)cc1

BDBM703466

CCOc1ccc(C(COC)NC(=O)[C@@H]2C3Oc4ccccc4C32)cc1

BDBM703467

CCOc1ccc(C(COC)NC(=O)[C@H]2C3Oc4ccc(F)cc4C32)cc1

BDBM703468

CCOc1ccc(C(COC)NC(=O)[C@@H]2C3Oc4ccc(F)cc4C32)cc1

BDBM703469

CCOc1ccc([C@H](COC)NC(=O)[C@H]2C3Oc4c(Cl)cccc4C32)cc1

BDBM703470

CCOc1ccc([C@H](COC)NC(=O)[C@H]2C3Oc4c(Br)cccc4C32)cc1

BDBM703471

CCOc1ccc([C@H](COC)NC(=O)[C@@H]2C3Oc4c(Br)cccc4C32)cc1

BDBM703472

CCOc1ccc([C@H](COC)NC(=O)C2C3Oc4ccc(-c5c(C)noc5C)cc4C32)cc1

BDBM703473

CCOc1ccc([C@H](COC)NC(=O)[C@H]2C3c4ccccc4N(C(C)=O)C32)cc1

BDBM703474

CCOc1ccc([C@H](COC)NC(=O)C2C3Nc4ccnc(OC)c4C32)cc1

BDBM703475

CCOc1ccc([C@H](COC)NC(=O)C2C3Oc4cc(Br)ccc4C32)cc1

BDBM703476

CCOc1ccc([C@H](COC)NC(=O)C2C3Oc4ccc(C#N)cc4C32)cc1

BDBM703477

CCOc1ccc([C@H](COC)NC(=O)C2C3Oc4cc(OC)ccc4C32)cc1

BDBM703478

CCOc1ccc([C@H](COC)NC(=O)[C@H]2C3Oc4cccc(Br)c4C32)cc1

BDBM703479

CCOc1ccc([C@H](COC)NC(=O)[C@@H]2C3Oc4cccc(Br)c4C32)cc1

BDBM703480

O=C(NC1COCc2cc(F)ccc21)C1C2Oc3ccc(F)cc3C21

BDBM703481

O=C(N[C@@H](CO)C1CCCCC1)C1C2Sc3ccccc3C21

BDBM703482

CCOc1ccc(C2(NC(=O)C3C4Oc5ccc(F)cc5C43)CCC2)cn1

BDBM703483

CCOc1ccc([C@@H](NC(=O)C2C3Oc4ccc(F)cc4C32)C(F)F)cn1

BDBM703484

O=C(NC1CCOc2cc(F)ccc21)C1C2Oc3ccc(F)cc3C21

BDBM703485

O=C(NC1CCOc2cc(F)c(F)cc21)C1C2Oc3ccc(F)cc3C21

BDBM703486

CCOc1ccc2c(c1)OC[C@H]2NC(=O)C5C4Oc3ccc(F)cc3C45

BDBM703487

CCOc1ccc([C@H](NC(=O)C2C3Oc4ccc(F)cc4C32)C(F)F)cn1

BDBM703488

O=C(N[C@@H]1CCc2c(O)cccc21)C1C2Oc3ccc(F)cc3C21

BDBM703489

O=C(NCCc1ccccc1)C1C2Oc3ccc(F)cc3C21

BDBM703490

CC(NC(=O)C1C2Oc3ccc(F)cc3C21)c1cccs1

BDBM703491

COC(=O)[C@@H](NC(=O)C1C2Oc3ccc(F)cc3C21)c1cccc(F)c1

BDBM703492

O=C(NCc1cc(Cl)ccc1F)C1C2Oc3ccc(F)cc3C21

BDBM703493

O=C(NCc1ccc(Cl)c(F)c1)C1C2Oc3ccc(F)cc3C21

BDBM703494

O=C(NCc1ccco1)C1C2Oc3ccc(F)cc3C21

BDBM703495

O=C(NCc1cccc(C2CCCO2)n1)C1C2Oc3ccc(F)cc3C21

BDBM703496

O=C(NCc1cc(C(F)F)nc(C(F)F)c1)C1C2Oc3ccc(F)cc3C21

BDBM703497

CC(NC(=O)C1C2Oc3ccc(F)cc3C21)c1cc2ccccc2o1

BDBM703498

O=C(NCc1cccc(I)c1)C1C2Oc3ccc(F)cc3C21

BDBM703499

O=C(NCc1cc(F)ccc1F)C1C2Oc3ccc(F)cc3C21

BDBM703500

O=C(NCc1ccc(F)cc1F)C1C2Oc3ccc(F)cc3C21

BDBM703501

Cc1cc(F)cc(CNC(=O)C2C3Oc4ccc(F)cc4C32)c1

BDBM703502

O=C(NCc1ccc(-n2cccc2)cc1)C1C2Oc3ccc(F)cc3C21

BDBM703503

O=C(NCc1ccc(O)cc1)C1C2Oc3ccc(F)cc3C21

BDBM703504

O=C(NCc1ccc2ccc[o+]c2c1)C1C2Oc3ccc(F)cc3C21

BDBM703505

CC(=O)C(NC(=O)C1C2Oc3ccc(F)cc3C21)c1cccc(Cl)c1

BDBM703506

O=C(N[C@@H](CCO)c1ccc(F)cc1)C1C2Oc3ccc(F)cc3C21

BDBM703507

Cc1ccccc1CNC(=O)C1C2Oc3ccc(F)cc3C21

BDBM703508

O=C(NCc1cc(-c2ccccc2)no1)C1C2Oc3ccc(F)cc3C21

BDBM703509

O=C(NCc1ccc(Oc2cccc[o+]2)cc1)C1C2Oc3ccc(F)cc3C21

BDBM703510

O=C(NCc1ccc(-c2occ[o+]2)cc1)C1C2Oc3ccc(F)cc3C21

BDBM703511

C[C@H](NC(=O)C1C2Oc3ccc(F)cc3C21)c1cccc2ncccc12

BDBM703512

CC(NC(=O)C1C2Oc3ccc(F)cc3C21)c1ccc(Br)cc1

BDBM703513

CC(NC(=O)C1C2Oc3ccc(F)cc3C21)c1ccc2cnccc2c1

BDBM703514

O=C(NCc1ccccc1OCC1CC1)C1C2Oc3ccc(F)cc3C21

BDBM703515

O=C(NCc1nc(Cc2ccccc2)no1)C1C2Oc3ccc(F)cc3C21

BDBM703516

CC(NC(=O)C1C2Oc3ccc(F)cc3C21)c1ccno1

BDBM703517

O=C(NCc1cc(-c2ccccn2)no1)C1C2Oc3ccc(F)cc3C21

BDBM703518

O=C(NCc1cc(-c2ccccc2)no1)C1C2Oc3ccc(F)cc3C21

BDBM703519

O=C(NCc1noc(-c2ccccc2)n1)C1C2Oc3ccc(F)cc3C21

BDBM703520

O=C(NCc1nnc(-c2ccccc2)o1)C1C2Oc3ccc(F)cc3C21

BDBM703521

O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1C2Oc3ccc(F)cc3C21

BDBM703522

O=C(NCc1nc(-c2ccccc2)no1)C1C2Oc3ccc(F)cc3C21

BDBM710539

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C)c3)=C2)cc1OC

BDBM712449

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc4c(c3)CCN(C)C4=O)=C2)cc1OC

BDBM712451

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(C(C)=O)cc3)=C2)cc1OC

BDBM712455

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C(C)=O)c3)=C2)cc1OC

BDBM712467

CCc1cccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)c1

BDBM712494

CCc1ccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)cc1

BDBM712495

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccn4nccc4c3)=C2)cc1OC

BDBM712498

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C#N)c3)=C2)cc1OC

BDBM712499

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc4c(c3)OCO4)=C2)cc1OC

BDBM712500

COc1cccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)c1

BDBM712501

COc1ccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)cc1

BDBM712502

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C(F)(F)F)c3)=C2)cc1OC

BDBM712503

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(C)c(Cl)c3)=C2)cc1OC

BDBM712504

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(C)cc3)=C2)cc1OC

BDBM712505

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccnc(C)c3)=C2)cc1OC

BDBM712506

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C)n3)=C2)cc1OC

BDBM712507

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(C)cn3)=C2)cc1OC

BDBM712508

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cc(C)ccn3)=C2)cc1OC

BDBM712509

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(F)c3)=C2)cc1OC

BDBM712510

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(Cl)c3)=C2)cc1OC

BDBM712511

Cc1cccc(NC(=O)C2=CC(c3ccc4c(c3)c(C)nn4C)=NS(=O)(=O)N2C)c1

BDBM712512

Cc1cccc(NC(=O)C2=CC(c3ccc4c(cnn4C)c3)=NS(=O)(=O)N2C)c1

BDBM712513

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C(F)(F)F)c3)=C2)cc1C

BDBM712514

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C)c3)=C2)cc1C

BDBM712515

COc3ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc1cc(Cl)ccc1OC)=C2)cc3Cl

BDBM712516

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C(F)(F)F)c3)=C2)cc1Cl

BDBM712517

COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C)c3)=C2)cc1Cl

BDBM712518

COc1cc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C)c3)=C2)ccc1Cl

BDBM712519

CCN1C(C(=O)Nc2cccc(C)c2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712520

CCN1C(C(=O)Nc2ccc(C)c(Cl)c2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712521

CCN1C(C(=O)Nc2cccc(C(F)(F)F)c2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712522

CCN1C(C(=O)Nc2ccc(OC(F)(F)F)cc2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712523

CCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712524

CCN1C(C(=O)Nc2ccc(C)c(C)c2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712525

CCN1C(C(=O)Nc2ccc(Cl)c(OC)c2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712526

CCN1C(C(=O)Nc2ccc(OC)c(Cl)c2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712527

CCN3C(C(=O)Nc1cccc(OC)c1)=CC(c2ccc(OC)c(C(F)(F)F)c2)=NS3(=O)=O

BDBM712528

CCN3C(C(=O)Nc1ccc(OC)cc1)=CC(c2ccc(OC)c(C(F)(F)F)c2)=NS3(=O)=O

BDBM712529

CCN3C(C(=O)Nc1cccc(C(F)(F)F)c1)=CC(c2ccc(OC)c(C(F)(F)F)c2)=NS3(=O)=O

BDBM712530

CCN3C(C(=O)Nc1cccc(C)c1)=CC(c2ccc(OC)c(C(F)(F)F)c2)=NS3(=O)=O

BDBM712531

CCN3C(C(=O)Nc1ccc(C)cc1)=CC(c2ccc(OC)c(C(F)(F)F)c2)=NS3(=O)=O

BDBM712532

CCN1C(C(=O)Nc2cccc(OC)c2)=CC(c2ccc(OC)c(C)c2)=NS1(=O)=O

BDBM712533

CCN1C(C(=O)Nc2ccc(OC)cc2)=CC(c2ccc(OC)c(C)c2)=NS1(=O)=O

BDBM712534

CCN1C(C(=O)Nc2cccc(C(F)(F)F)c2)=CC(c2ccc(OC)c(C)c2)=NS1(=O)=O

BDBM712535

CCN1C(C(=O)Nc2cccc(C)c2)=CC(c2ccc(OC)c(C)c2)=NS1(=O)=O

BDBM712536

CCN1C(C(=O)Nc2ccc(C)cc2)=CC(c2ccc(OC)c(C)c2)=NS1(=O)=O

BDBM712537

CCN1C(C(=O)Nc2cccc(Cl)c2)=CC(c2ccc(OC)c(C)c2)=NS1(=O)=O

BDBM712538

CCN3C(C(=O)Nc1cccc(C(F)(F)F)c1)=CC(c2ccc(C(F)(F)F)c(OC)c2)=NS3(=O)=O

BDBM712539

CCN1C(C(=O)Nc2cccc(C(F)(F)F)c2)=CC(c2ccc(C)c(OC)c2)=NS1(=O)=O

BDBM712540

CCN3C(C(=O)Nc1cccc(C(F)(F)F)c1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712541

CCN1C(C(=O)Nc2cccc(C(F)(F)F)c2)=CC(C2CCC(F)(F)CC2)=NS1(=O)=O

BDBM712542

CCN1C(C(=O)Nc2cccc(C(F)(F)F)c2)=CC([C@H]2CC3C[C@@H]3C2)=NS1(=O)=O

BDBM712543

CCN3C(C(=O)Nc1cccc(C(F)(F)F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712544

CN3C(C(=O)Nc1cccc(C(F)(F)F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712545

CN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(C2CCC(F)(F)CC2)=NS1(=O)=O

BDBM712546

CN1C(C(=O)Nc2cccc(F)n2)=CC(C2CCC(F)(F)CC2)=NS1(=O)=O

BDBM712547

CCN3C(C(=O)Nc1cccc(C(F)(F)F)c1F)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712548

CCN3C(C(=O)Nc1cncc(C(F)(F)F)c1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712549

CCN3C(C(=O)Nc1ccc(C(F)(F)F)cn1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712550

CCN3C(C(=O)Nc1cncc(C(F)(F)F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712551

CCN3C(C(=O)Nc1cccc(F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712552

CCN3C(C(=O)Nc1cc(Cl)ccn1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712553

CCN3C(C(=O)Nc1cncc(F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712554

CCN3C(C(=O)Nc1ccnc(C(F)(F)F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712555

CCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC([C@H]2CC[C@H](OC)CC2)=NS1(=O)=O

BDBM712556

CCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(C2CCCCCC2)=NS1(=O)=O

BDBM712557

CCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC([C@H]2CC[C@H](C)CC2)=NS1(=O)=O

BDBM712558

CCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(C2CCC(F)(F)CC2)=NS1(=O)=O

BDBM712559

CCN1C(C(=O)Nc2cncc(C(F)(F)F)n2)=CC(C2CCC(F)(F)CC2)=NS1(=O)=O

BDBM712560

CCN1C(C(=O)Nc2cccc(F)n2)=CC(C2CCC(F)(F)CC2)=NS1(=O)=O

BDBM712561

CCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC([C@H]2CC3C[C@@H]3C2)=NS1(=O)=O

BDBM712562

CCN1C(C(=O)Nc2cccc(F)n2)=CC([C@H]2CC3C[C@@H]3C2)=NS1(=O)=O

BDBM712563

CCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(C2CCCCC2)=NS1(=O)=O

BDBM712564

CCN1C(C(=O)Nc2cccc(F)n2)=CC(C2CCCCC2)=NS1(=O)=O

BDBM712565

CCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(C2CC=CC2)=NS1(=O)=O

BDBM712566

CCN3C(C(=O)Nc1cccc(C#N)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712567

CCN3C(C(=O)Nc1ccc(F)c(C)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712568

CCN3C(C(=O)Nc1cccc(C(C)(F)F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712569

CCN3C(C(=O)Nc1ccnc(F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712570

CCN3C(C(=O)Nc1cccc(C(F)F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712571

CC[C@@H](C)N1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712572

CC[C@H](C)N1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712573

COc1ccc(C2=NS(=O)(=O)N([C@H]3CCOC3)C(C(=O)Nc3cccc(C(F)(F)F)n3)=C2)cc1OC

BDBM712574

COc1ccc(C2=NS(=O)(=O)N([C@@H]3CCOC3)C(C(=O)Nc3cccc(C(F)(F)F)n3)=C2)cc1OC

BDBM712575

CCCn1ccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)n1

BDBM712576

CCCCn1cc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)cn1

BDBM712577

CCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(c2ccc(OC)c(C)c2)=NS1(=O)=O

BDBM712578

CCN3C(C(=O)Nc1ccnc(C(F)(F)F)c1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712579

COc1ccc(C2=NS(=O)(=O)N(C(C)C)C(C(=O)Nc3cccc(C(F)(F)F)c3)=C2)cc1OC

BDBM712580

COc1ccc(C2=NS(=O)(=O)N(C(C)C)C(C(=O)Nc3cccc(Nc4cccc(F)n4)n3)=C2)cc1OC

BDBM712581

COc1ccc(C2=NS(=O)(=O)N(C(C)C)C(C(=O)Nc3cccc(C(F)(F)F)n3)=C2)cc1OC

BDBM712582

COc1ccc(C2=NS(=O)(=O)N(C(C)C)C(C(=O)Nc3cccc(Cl)c3)=C2)cc1OC

BDBM712583

CC(C)N3C(C(=O)Nc1cccc(C(F)(F)F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712584

CCCN1C(C(=O)Nc2cccc(C(F)(F)F)c2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712585

CCCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712586

CCCN1C(C(=O)Nc2cccc(C(F)(F)F)c2)=CC(c2cc(OC)c(OC)cc2F)=NS1(=O)=O

BDBM712587

CCCN3C(C(=O)Nc1cccc(C(F)(F)F)n1)=CC(c2ccc(OC)c(C(F)(F)F)c2)=NS3(=O)=O

BDBM712588

CCCN1C(C(=O)Nc2cccc(C(F)(F)F)c2)=CC(c2ccc(OC)c(C)c2)=NS1(=O)=O

BDBM712589

CCCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(c2ccc(OC)c(C)c2)=NS1(=O)=O

BDBM712590

CCCN1C(C(=O)Nc2cccc(C(F)(F)F)c2)=CC(c2ccc(OC)c(Cl)c2)=NS1(=O)=O

BDBM712591

CCCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(c2ccc(OC)c(Cl)c2)=NS1(=O)=O

BDBM712592

COc1ccc(C2=NS(=O)(=O)N(CC3CC3)C(C(=O)Nc3cccc(C(F)(F)F)c3)=C2)cc1OC

BDBM712593

COc1ccc(C2=NS(=O)(=O)N(CC3CC3)C(C(=O)Nc3cccc(C(F)(F)F)n3)=C2)cc1OC

BDBM712594

COc1ccc(C2=NS(=O)(=O)N(CC3CC3)C(C(=O)Nc3cccc(Cl)c3)=C2)cc1OC

BDBM712595

COc1ccc(C2=NS(=O)(=O)N(CC3CC3)C(C(=O)Nc3cccc(C(F)(F)F)c3)=C2)cc1C

BDBM712596

O=C(Nc1cccc(C(F)(F)F)n1)C3=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS(=O)(=O)N3CC4CC4

BDBM712597

C=CCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712598

COc1ccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C(C)C)cc1

BDBM712599

COc1ccc(C2=NS(=O)(=O)N(C(C)C)C(C(=O)Nc3cc(C)c(Cl)cn3)=C2)cc1OC

BDBM712600

COc1ccc(C2=NS(=O)(=O)N(C(C)C)C(C(=O)Nc3cc(Cl)ccn3)=C2)cc1OC

BDBM712601

CCCCN1C(C(=O)Nc2cccc(C(F)(F)F)c2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712602

CCCN1C(C(=O)Nc2ccc(OC)cc2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712603

CCCN1C(C(=O)Nc2cccc(C)c2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712604

CCCN1C(C(=O)Nc2cccc(Cl)c2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712605

CCCN3C(C(=O)Nc1cccc(C(F)(F)F)c1)=CC(c2ccc(OC)c(C(F)(F)F)c2)=NS3(=O)=O

BDBM712606

COc1ccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2CC2CC2)cc1

BDBM712607

COc1ccc(C2=NS(=O)(=O)N(CC3CC3)C(C(=O)Nc3cccc(C)c3)=C2)cc1OC

BDBM712608

COc1ccc(C2=NS(=O)(=O)N(CC(F)(F)F)C(C(=O)Nc3cccc(C(F)(F)F)c3)=C2)cc1OC

BDBM712609

COc1ccc(C2=NS(=O)(=O)N(CC(F)(F)F)C(C(=O)Nc3cccc(C)c3)=C2)cc1OC

BDBM712610

C=CCN1C(C(=O)Nc2ccc(OC)cc2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712611

C=CCN1C(C(=O)Nc2cccc(C(F)(F)F)c2)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O

BDBM712612

COc1ccc(C2=NS(=O)(=O)N(CC3CCC3)C(C(=O)Nc3cccc(C)c3)=C2)cc1OC

BDBM712613

COc1ccc(C2=NS(=O)(=O)N(C(C)C)C(C(=O)Nc3cccc(F)n3)=C2)cc1OC

BDBM712614

CC(C)N3C(C(=O)Nc1cncc(C(F)(F)F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712615

CC(C)N3C(C(=O)Nc1cccc(F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712616

CC(C)N1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(C2CCC(F)(F)CC2)=NS1(=O)=O

BDBM712617

CC(C)N1C(C(=O)Nc2cccc(F)n2)=CC(C2CCC(F)(F)CC2)=NS1(=O)=O

BDBM712618

COCCN3C(C(=O)Nc1cccc(C(F)(F)F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712619

COCCN3C(C(=O)Nc1cccc(F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712620

COCCN1C(C(=O)Nc2cccc(C(F)(F)F)n2)=CC(C2CCC(F)(F)CC2)=NS1(=O)=O

BDBM712621

COCCN1C(C(=O)Nc2cccc(F)n2)=CC(C2CCC(F)(F)CC2)=NS1(=O)=O

BDBM712622

O=C(Nc1cccc(F)n1)C3=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS(=O)(=O)N3CC4CC4

BDBM712623

O=C(Nc1ccc(F)cn1)C3=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS(=O)(=O)N3CC4CC4

BDBM712624

O=C(Nc1cccc(C(F)(F)F)n1)C1=CC(C2CCC(F)(F)CC2)=NS(=O)(=O)N1CC1CC1

BDBM712625

O=C(Nc1cccc(F)n1)C1=CC(C2CCC(F)(F)CC2)=NS(=O)(=O)N1CC1CC1

BDBM712626

CC(C)N3C(C(=O)Nc1ccnc(C(F)(F)F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712627

O=C(Nc1ccnc(C(F)(F)F)n1)C3=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS(=O)(=O)N3CC4CC4

BDBM712628

CC(C)N3C(C(=O)Nc1cncc(F)n1)=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS3(=O)=O

BDBM712629

O=C(Nc1cncc(F)n1)C3=CC([C@@H]2CC[C@@H](C(F)(F)F)CC2)=NS(=O)(=O)N3CC4CC4

BDBM767367

c1ccc(-c2ccc(OC3C4CCN(CC4)C3Cc3cccnc3)nn2)cc1

BDBM767368

c1ccc(-c2nnc(OC3C4CCN(CC4)C3Cc3cccnc3)s2)cc1

BDBM767369

c1cncc(CC2C(Oc3ccc(-c4ccc5[nH]ccc5c4)cn3)C3CCN2CC3)c1

BDBM767370

c1cncc(CC2C(Oc3ccc(-c4ccc5[nH]ccc5c4)nn3)C3CCN2CC3)c1

BDBM767371

c1cncc(CC2C(Oc3cnc(-c4ccc5[nH]ccc5c4)cn3)C3CCN2CC3)c1

BDBM767372

c1cncc(CC2C(Oc3nnc(-c4ccc5[nH]ccc5c4)s3)C3CCN2CC3)c1

BDBM767373

Nc1nc2ccc(-c3ccc(OC4C5CCN(CC5)C4Cc4cccnc4)nn3)cc2s1

BDBM767374

c1cncc(CC2C(Oc3ccc(-c4ccc[nH]4)nn3)C3CCN2CC3)c1

BDBM767375

c6cncc(CC4C(Oc3ccc(c2ccc1[nH]ccc1c2)cn3)C5CCN4CC5)c6

BDBM767376

c6cncc(CC4C(Oc3ccc(c2ccc1[nH]ccc1c2)nn3)C5CCN4CC5)c6

BDBM767377

c1cncc(CC2C(Oc3cnc(-c4ccc5[nH]ccc5c4)cn3)C3CCN2CC3)c1

BDBM767378

c6cncc(CC4C(Oc3ccc(c2ccc1[nH]ccc1c2)nn3)C5CCN4CC5)c6

BDBM767379

c6cncc(C[C@@H]4[C@H](Oc3ccc(c2ccc1[nH]ccc1c2)nn3)C5CCN4CC5)c6

BDBM767381

c6cncc(C[C@H]4[C@H](Oc3ccc(c2ccc1[nH]ccc1c2)nn3)C5CCN4CC5)c6

BDBM767383

Nc6nc5ccc(c4ccc(OC2C1CCN(CC1)C2Cc3cccnc3)nn4)cc5s6

BDBM767384

Nc1nc2ccc(-c3ccc(OC4C5CCN(CC5)C4Cc4cccnc4)nn3)cc2s1

BDBM767385

c1cncc(CC2C(Oc3ccc(-c4ccc[nH]4)nn3)C3CCN2CC3)c1

BDBM767386

Fc1ccc2nc(OC3C4CCN(CC4)C3Cc3cccnc3)ccc2c1

BDBM767387

c1cncc(CC2C(Oc3ccc4ccccc4n3)C3CCN2CC3)c1

BDBM767388

c1cncc(CC2C(Oc3cc4ccccc4cn3)C3CCN2CC3)c1

BDBM767389

c1cncc(CC2C(Oc3ccc(-n4ccnc4)nn3)C3CCN2CC3)c1

BDBM50241432

CC[S+]1CCN(CC1)c1ccccc1

BDBM50241434

CC[N+]1(CC)CCN(CC1)c1ccccc1

BDBM50241437

CCN1CCN(CC1)c1ccccc1

BDBM50251378

[H][C@]12CC[C@]3([H])[C@H](C(=O)OCCCCCCCCCCCCCCC(O)C(=O)NCCCN)[C@]4(CCC[C@@H](C)O4)N=C(N[C@]4(CC[C@@H](O4)\C=C\CC)C1)N23 |r,t:41|

BDBM50251379

[H][C@]12CC[C@]3([H])[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCCN)[C@]4(CCC[C@@H](CCC)O4)N=C(N[C@@]4(C1)CCC=C[C@H](CC)O4)N23 |r,c:55,t:47|

BDBM50259913

CN1C(Nc2nc3ccc(Cl)nc3s2)=NCC11CN2CCC1CC2 |c:15,THB:1:16:19.20:22.23,(45.22,-30.28,;46.25,-31.42,;47.77,-31.26,;48.55,-29.93,;50.08,-29.93,;50.99,-31.17,;52.45,-30.69,;53.78,-31.46,;55.12,-30.69,;55.12,-29.14,;56.45,-28.37,;53.78,-28.38,;52.45,-29.15,;50.99,-28.68,;48.4,-32.67,;47.25,-33.69,;45.93,-32.92,;45.72,-34.31,;43.8,-33.5,;42.4,-34.43,;42.75,-33.04,;44.44,-32.28,;44.38,-30.65,;43.8,-32.03,)|

BDBM50259914

CN1C(Nc2nc3ccccc3s2)=NCC11CN2CCC1CC2 |c:14,THB:1:15:18.19:21.22,(31.55,-31,;32.58,-32.15,;34.11,-31.99,;34.88,-30.66,;36.42,-30.66,;37.33,-31.89,;38.79,-31.42,;40.13,-32.19,;41.46,-31.42,;41.46,-29.87,;40.12,-29.1,;38.79,-29.87,;37.33,-29.4,;34.74,-33.39,;33.59,-34.42,;32.26,-33.65,;32.05,-35.04,;30.14,-34.23,;28.74,-35.16,;29.09,-33.76,;30.78,-33.01,;30.72,-31.37,;30.13,-32.76,)|

BDBM50259915

Clc1cccc2sc(NC3=NCC4(CN5CCC4CC5)N3)nc12 |t:9,THB:20:12:15.16:18.19,(25.79,-33.21,;25.79,-31.67,;27.13,-30.9,;27.12,-29.35,;25.79,-28.58,;24.46,-29.35,;23,-28.88,;22.09,-30.14,;20.55,-30.14,;19.78,-31.47,;20.4,-32.87,;19.26,-33.9,;17.93,-33.13,;17.72,-34.51,;15.8,-33.71,;14.4,-34.63,;14.75,-33.24,;16.45,-32.49,;16.38,-30.85,;15.8,-32.24,;18.25,-31.63,;22.99,-31.37,;24.46,-30.9,)|

BDBM50259916

Clc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2n1 |t:8,THB:19:11:14.15:17.18,(67.08,-18.29,;65.75,-19.06,;65.75,-20.61,;64.42,-21.38,;63.09,-20.61,;61.62,-21.08,;60.72,-19.84,;59.17,-19.84,;58.4,-21.18,;59.03,-22.58,;57.88,-23.61,;56.55,-22.84,;56.34,-24.23,;54.42,-23.42,;53.02,-24.35,;53.37,-22.95,;55.07,-22.2,;55,-20.56,;54.42,-21.95,;56.87,-21.34,;61.62,-18.59,;63.09,-19.07,;64.41,-18.3,)|

BDBM50259917

COc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2c1 |t:9,THB:20:12:15.16:18.19,(52.97,-17.62,;52.98,-19.16,;51.65,-19.94,;51.65,-21.48,;50.32,-22.25,;48.99,-21.48,;47.52,-21.96,;46.61,-20.72,;45.07,-20.72,;44.3,-22.05,;44.92,-23.46,;43.78,-24.49,;42.44,-23.72,;42.23,-25.11,;40.31,-24.3,;38.91,-25.23,;39.26,-23.83,;40.96,-23.08,;40.89,-21.44,;40.31,-22.83,;42.77,-22.21,;47.52,-19.46,;48.99,-19.94,;50.32,-19.17,)|

BDBM50259918

Clc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2c1 |t:8,THB:19:11:14.15:17.18,(39.26,-19.74,;37.93,-20.51,;37.93,-22.06,;36.6,-22.83,;35.27,-22.06,;33.8,-22.54,;32.9,-21.3,;31.35,-21.3,;30.58,-22.63,;31.2,-24.04,;30.06,-25.07,;28.73,-24.3,;28.52,-25.68,;26.6,-24.87,;25.2,-25.8,;25.54,-24.41,;27.24,-23.65,;27.18,-22.01,;26.59,-23.4,;29.05,-22.79,;33.8,-20.04,;35.27,-20.52,;36.6,-19.75,)|

BDBM50259921

Cc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)oc2c1 |t:8,THB:19:11:14.15:17.18,(15.03,-19.9,;13.7,-20.67,;13.7,-22.22,;12.37,-22.99,;11.04,-22.22,;9.57,-22.69,;8.67,-21.46,;7.12,-21.45,;6.35,-22.79,;6.98,-24.19,;5.83,-25.22,;4.5,-24.45,;4.29,-25.84,;2.37,-25.03,;.97,-25.96,;1.32,-24.56,;3.02,-23.81,;2.95,-22.17,;2.37,-23.56,;4.82,-22.95,;9.57,-20.2,;11.04,-20.68,;12.36,-19.91,)|

BDBM50259938

C1N=C(Nc2nc3ccccc3o2)NC11CN2CCC1CC2 |t:1,THB:13:14:17.18:20.21,(44.73,-15.9,;45.88,-14.88,;45.25,-13.47,;46.02,-12.13,;47.57,-12.13,;48.47,-13.37,;49.94,-12.9,;51.27,-13.67,;52.61,-12.9,;52.6,-11.35,;51.27,-10.59,;49.94,-11.35,;48.48,-10.88,;43.72,-13.63,;43.4,-15.13,;43.19,-16.52,;41.27,-15.71,;39.87,-16.64,;40.21,-15.24,;41.91,-14.49,;41.85,-12.85,;41.26,-14.24,)|

BDBM50259924

C1N=C(Nc2ncnc3ccccc23)NC11CN2CCC1CC2 |t:1,THB:14:15:18.19:21.22,(17.8,-17.06,;18.95,-16.03,;18.32,-14.62,;19.1,-13.29,;20.64,-13.29,;21.41,-11.95,;22.95,-11.95,;23.73,-13.29,;22.95,-14.63,;23.71,-15.96,;22.95,-17.28,;21.4,-17.28,;20.64,-15.95,;21.41,-14.62,;16.79,-14.78,;16.47,-16.29,;16.26,-17.68,;14.34,-16.87,;12.93,-17.8,;13.28,-16.4,;14.98,-15.65,;14.92,-14.01,;14.33,-15.4,)|

BDBM50259944

C1N=C(Nc2cnc3ccccc3n2)NC11CN2CCC1CC2 |t:1,THB:14:15:18.19:21.22,(5.8,-16.68,;6.95,-15.65,;6.32,-14.24,;7.09,-12.91,;8.64,-12.91,;9.4,-14.25,;10.94,-14.25,;11.71,-12.91,;13.25,-12.91,;14.02,-11.58,;13.24,-10.23,;11.7,-10.24,;10.94,-11.57,;9.4,-11.58,;4.79,-14.4,;4.47,-15.91,;4.26,-17.29,;2.34,-16.49,;.94,-17.41,;1.29,-16.02,;2.99,-15.26,;2.92,-13.63,;2.34,-15.02,)|

BDBM50259925

C1N=C(Nc2cc(ncn2)-n2ccnc2)NC11CN2CCC1CC2 |t:1,THB:15:16:19.20:22.23,(57.81,-6,;58.96,-4.97,;58.33,-3.56,;59.11,-2.23,;60.65,-2.23,;61.41,-3.57,;62.95,-3.57,;63.72,-2.23,;62.95,-.89,;61.41,-.9,;63.72,-4.9,;63.09,-6.31,;64.24,-7.34,;65.57,-6.57,;65.25,-5.07,;56.8,-3.72,;56.48,-5.23,;56.27,-6.61,;54.36,-5.81,;52.96,-6.73,;53.3,-5.34,;55,-4.59,;54.94,-2.95,;54.35,-4.34,)|

BDBM50259945

Clc1cnc(NC2=NCC3(CN4CCC3CC4)N2)cn1 |t:6,THB:17:9:12.13:15.16,(39.13,-2.88,;37.59,-2.88,;36.81,-1.53,;35.27,-1.54,;34.51,-2.87,;32.97,-2.87,;32.19,-4.21,;32.82,-5.62,;31.67,-6.64,;30.34,-5.87,;30.13,-7.26,;28.21,-6.45,;26.81,-7.38,;27.16,-5.99,;28.85,-5.23,;28.79,-3.59,;28.2,-4.98,;30.66,-4.37,;35.27,-4.21,;36.81,-4.21,)|

BDBM50259936

Clc1cnc(NC2=NCC3(CN4CCC3CC4)N2)nc1 |t:6,THB:17:9:12.13:15.16,(25.28,-3.2,;23.74,-3.2,;22.97,-4.53,;21.43,-4.53,;20.67,-3.2,;19.13,-3.19,;18.36,-4.53,;18.98,-5.93,;17.84,-6.96,;16.5,-6.19,;16.3,-7.58,;14.38,-6.77,;12.98,-7.7,;13.33,-6.3,;15.02,-5.55,;14.96,-3.91,;14.37,-5.3,;16.83,-4.69,;21.43,-1.86,;22.97,-1.86,)|

BDBM50259919

C1N=C(Nc2nc3ccccc3s2)NC11CN2CCC1CC2 |t:1,THB:13:14:17.18:20.21,(18.15,-25.42,;19.3,-24.39,;18.67,-22.98,;19.44,-21.65,;20.99,-21.65,;21.89,-22.89,;23.36,-22.41,;24.69,-23.18,;26.03,-22.41,;26.02,-20.86,;24.69,-20.1,;23.36,-20.87,;21.9,-20.39,;17.14,-23.14,;16.82,-24.65,;16.61,-26.03,;14.69,-25.23,;13.29,-26.15,;13.64,-24.76,;15.33,-24,;15.27,-22.36,;14.68,-23.75,)|

BDBM50259946

CCN1C(Nc2nc3ccc(OC)cc3s2)=NCC11CN2CCC1CC2 |c:17,THB:2:18:21.22:24.25,(5.54,-38.61,;5.06,-40.07,;6.09,-41.22,;7.62,-41.06,;8.39,-39.72,;9.93,-39.73,;10.84,-40.96,;12.3,-40.49,;13.63,-41.26,;14.97,-40.49,;14.97,-38.94,;16.29,-38.16,;16.29,-36.62,;13.63,-38.17,;12.3,-38.94,;10.84,-38.47,;8.24,-42.46,;7.1,-43.49,;5.77,-42.72,;5.56,-44.1,;3.65,-43.3,;2.25,-44.22,;2.59,-42.83,;4.29,-42.08,;4.23,-40.44,;3.64,-41.83,)|

BDBM50259947

COc1ccc2sc(NC3=NCC4(CN5CCC4CC5)N3)nc2c1 |t:9,THB:20:12:15.16:18.19,(15.81,-30.95,;14.47,-31.72,;13.14,-30.95,;13.14,-29.4,;11.8,-28.64,;10.47,-29.41,;9.01,-28.94,;8.1,-30.19,;6.56,-30.19,;5.79,-31.52,;6.42,-32.93,;5.27,-33.96,;3.94,-33.19,;3.73,-34.57,;1.82,-33.76,;.42,-34.69,;.77,-33.3,;2.46,-32.54,;2.4,-30.91,;1.81,-32.3,;4.26,-31.68,;9.01,-31.43,;10.47,-30.95,;11.81,-31.73,)|

BDBM50259923

Clc1ccc2c(NC3=NCC4(CN5CCC4CC5)N3)ncnn12 |t:7,THB:18:10:13.14:16.17,(37.59,-16.14,;36.12,-15.66,;34.88,-16.57,;33.64,-15.66,;34.11,-14.2,;33.35,-12.86,;31.81,-12.86,;31.04,-14.19,;31.66,-15.6,;30.51,-16.63,;29.18,-15.86,;28.97,-17.24,;27.05,-16.44,;25.65,-17.37,;26,-15.97,;27.7,-15.21,;27.63,-13.57,;27.05,-14.97,;29.5,-14.35,;34.11,-11.52,;35.66,-11.53,;36.43,-12.87,;35.65,-14.2,)|

BDBM50259926

COc1cc(NC2=NCC3(CN4CCC3CC4)N2)ncn1 |t:6,THB:17:9:12.13:15.16,(51.78,-5.03,;50.24,-5.03,;49.47,-3.69,;47.93,-3.69,;47.17,-2.35,;45.62,-2.35,;44.85,-3.69,;45.48,-5.09,;44.33,-6.12,;43,-5.35,;42.79,-6.74,;40.87,-5.93,;39.47,-6.86,;39.81,-5.46,;41.51,-4.71,;41.45,-3.07,;40.86,-4.46,;43.32,-3.84,;47.93,-1.02,;49.47,-1.01,;50.25,-2.35,)|

BDBM50259937

Clc1ccc(NC2=NCC3(CN4CCC3CC4)N2)nc1 |t:6,THB:17:9:12.13:15.16,(12.67,-3.32,;11.13,-3.32,;10.35,-4.66,;8.81,-4.66,;8.05,-3.32,;6.51,-3.32,;5.74,-4.65,;6.36,-6.06,;5.22,-7.09,;3.88,-6.32,;3.68,-7.7,;1.76,-6.9,;.36,-7.82,;.71,-6.43,;2.4,-5.68,;2.34,-4.04,;1.75,-5.43,;4.21,-4.81,;8.81,-1.99,;10.35,-1.98,)|

BDBM50006638

CN1CCc2cc3OCOc3cc2C1

BDBM50270376

COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC

BDBM50270394

CCC[N+]1(C)CCc2cc(OC)c(OC)cc2C1

BDBM50270363

[H][C@@]12CCCN1CCc1cc(OC)c(OC)cc21 |r|

BDBM50006640

COc1cc2CCN(C)Cc2cc1O

BDBM50270399

C[N+]1(C)CCc2cc3OCOc3cc2C1

BDBM50270401

COc1cc2CC[N+](C)(C)Cc2cc1O

BDBM50270402

COc1ccc2C[N+](C)(C)CCc2c1

BDBM50270370

C[N+]12CCCC1c1cc3OCOc3cc1CC2

BDBM50270368

COc1ccc2CC[N+]3(C)CCCC3c2c1

BDBM50270367

COc1ccc2C3CCC[N+]3(C)CCc2c1

BDBM50270366

C[N+]12CCCC1c1ccccc1CC2

BDBM50270362

[H][C@]12CCCN1CCc1cc(OC)c(OC)cc21 |r|

BDBM50270361

[H][C@@]12CCC[N+]1(C)CCc1cc3OCOc3cc21

BDBM50270397

[H][C@]12CCC[N+]1(C)CCc1cc3OCOc3cc21

BDBM50270382

[H][C@]12CCC[N+]1(C)CCc1cc(OC)c(OC)cc21

BDBM50270404

COc1ccc2C3CCCN3CCc2c1

BDBM50270398

COc1cc2CCN3CCCC3c2cc1Oc1ccccc1

BDBM50006633

COc1cc2CCN3CCCC3c2cc1OC

BDBM50270373

C1CC2N(C1)CCc1ccccc21

BDBM50014648

COc1cc2CCN(C)Cc2cc1OC

BDBM50270407

COc1cc2CC[N+](C)(C)Cc2cc1OC

BDBM50270396

COC1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 |r,t:4,11|

BDBM50270393

COc1cc2CC[N+](C)(CC=C)Cc2cc1OC

BDBM50270406

COc1cc2CC[N+](C)(Cc3ccccc3)Cc2cc1OC

BDBM50270390

COc1cc2CN(C)CCc2cc1OCc1ccccc1

BDBM50270389

COc1cc2CCN(C)Cc2cc1OCc1ccccc1

BDBM50270375

COc1ccc2CN(C)CCc2c1

BDBM50270403

COc1cc2C3CCCN3CCc2cc1Oc1ccccc1

BDBM50270377

[H][C@@]12CCC[N+]1(C)CCc1cc(OC)c(OC)cc21

BDBM50270369

COc1cc2CC[N+]3(C)CCCC3c2cc1OC

BDBM50406544

Clc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15|

BDBM50406706

Clc1ccc(Nc2ccc(nn2)N2CC3CC(C2)N3)cc1 |TLB:9:12:18:15|

BDBM50406707

Fc1ccc(Nc2ccc(nn2)N2CC3CC(C2)N3)cc1 |TLB:9:12:18:15|

BDBM50406708

[O-][N+](=O)c1ccc(Nc2ccc(nn2)N2CC3CC(C2)N3)cc1 |TLB:11:14:20:17|

BDBM50406705

FC(F)(F)c1ccc(Nc2ccc(nn2)N2CC3CC(C2)N3)cc1 |TLB:12:15:21:18|

BDBM50406789

Clc1cccc(Nc2ccc(nn2)N2CC3CC(C2)N3)c1 |TLB:10:13:19:16|

BDBM50406790

Clc1ccc(Nc2ccc(nn2)N2CC3CC(C2)N3)cc1Cl |TLB:9:12:18:15|

BDBM50406791

CN(c1ccccc1)c1ccc(nn1)N1CC2CC(C1)N2 |TLB:11:14:20:17|

BDBM50406500

Fc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15|

BDBM50406472

[O-][N+](=O)c1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17|

BDBM50406792

Oc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15|

BDBM50406686

FC(F)(F)c1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:13:15:21:18|

BDBM50406515

Clc1cccc(Nc2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:11:13:19:16|

BDBM50406793

Clc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1Cl |TLB:10:12:18:15|

BDBM50406794

CN(c1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:12:14:20:17|

BDBM50406797

C1C2CN(CC1N2)c1ccc(Nc2ccccc2)nc1 |TLB:7:3:6:0|

BDBM50406536

Cc1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1 |TLB:9:12:18:15|

BDBM50406687

COc1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1 |TLB:10:13:19:16|

BDBM50406798

Clc1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1 |TLB:9:12:18:15|

BDBM50406540

Fc1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1 |TLB:9:12:18:15|

BDBM50406688

[O-][N+](=O)c1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1 |TLB:11:14:20:17|

BDBM50406537

Oc1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1 |TLB:9:12:18:15|

BDBM50406541

FC(F)(F)c1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1 |TLB:12:15:21:18|

BDBM50406538

Clc1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1Cl |TLB:9:12:18:15|

BDBM50406799

C1C2CN(CC1N2)c1ccc(Nc2ccc3OCOc3c2)nc1 |TLB:7:3:6:0|

BDBM50406800

Cc1ccc(Nc2ccc(nn2)N2CC3CC(C2)N3)cc1 |TLB:9:12:18:15|

BDBM50406801

COc1ccc(Nc2ccc(nn2)N2CC3CC(C2)N3)cc1 |TLB:10:13:19:16|

BDBM50406641

C1C2CN(CC1N2)c1cncc(Nc2ccccc2)c1 |TLB:7:3:6:0|

BDBM50406685

Cc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15|

BDBM50406539

COc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:11:13:19:16|

BDBM50406704

Clc1cccc(Nc2ccc(cn2)N2CC3CC(C2)N3)c1 |TLB:10:13:19:16|

BDBM50406802

C1C2CN(CC1N2)c1ccc(Nc2ccccc2)nn1 |TLB:7:3:6:0|

BDBM50451604

Brc1nc2OC3(Cn2c1Br)CN1CCC3CC1 |THB:4:5:13.12:16.15,(20.16,-14,;18.86,-14.88,;17.41,-14.34,;16.47,-15.56,;14.99,-15.99,;14.94,-17.53,;16.38,-18.06,;17.33,-16.85,;18.81,-16.41,;20.06,-17.37,;15.56,-18.89,;14.01,-18.57,;12.59,-19.61,;12.06,-18.23,;13.42,-17.22,;13.1,-15.53,;13.83,-16.68,)|

BDBM50451613

COc1ccc(cc1)-c1cccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc12 |r,wU:15.25,THB:23:15:18.19:22.21,(21.29,-19.75,;22.44,-20.88,;22.03,-22.43,;23.18,-23.57,;22.78,-25.13,;21.22,-25.55,;20.07,-24.43,;20.47,-22.87,;20.81,-27.11,;21.91,-28.19,;21.52,-29.67,;20.04,-30.08,;18.95,-29,;17.42,-29.08,;16.23,-30.05,;14.94,-29.22,;15.24,-30.68,;13.81,-30.02,;12.2,-30.71,;11.99,-29.26,;13.54,-28.59,;13.6,-26.87,;14.08,-28.03,;15.33,-27.74,;16.86,-27.65,;18.05,-26.68,;19.33,-27.51,)|

BDBM50451614

COc1ccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc2c1 |r,wU:8.17,THB:16:8:11.12:15.14,(24.09,-19.23,;23.67,-20.8,;22.12,-21.22,;21.73,-22.71,;20.25,-23.11,;19.15,-22.03,;17.62,-22.11,;16.42,-23.08,;15.14,-22.25,;15.44,-23.72,;14,-23.05,;12.39,-23.75,;12.17,-22.29,;13.72,-21.62,;13.79,-19.9,;14.27,-21.06,;15.52,-20.77,;17.06,-20.68,;18.25,-19.7,;19.54,-20.54,;21.02,-20.13,)|

BDBM50451615

FC(F)(F)c1ccc2nc3O[C@@]4(Cn3c2c1)CN1CCC4CC1 |r,wU:11.10,THB:10:11:18.19:22.21,(23.72,-22.53,;22.33,-23.35,;23.73,-24.15,;21.92,-24.92,;21.18,-22.21,;21.57,-20.72,;20.47,-19.64,;18.99,-20.05,;17.7,-19.21,;16.51,-20.19,;14.98,-20.27,;14.59,-21.76,;15.87,-22.59,;17.07,-21.62,;18.6,-21.53,;19.7,-22.62,;14.89,-23.22,;13.45,-22.56,;11.84,-23.25,;11.62,-21.8,;13.17,-21.12,;13.24,-19.4,;13.72,-20.57,)|

BDBM50451608

Cc1ccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc2c1 |r,wU:7.16,THB:15:7:10.11:14.13,(22.52,-20.3,;20.96,-20.73,;20.57,-22.22,;19.09,-22.63,;17.99,-21.54,;16.46,-21.63,;15.26,-22.59,;13.98,-21.76,;14.28,-23.23,;12.84,-22.56,;11.22,-23.26,;11.01,-21.8,;12.56,-21.13,;12.63,-19.41,;13.11,-20.57,;14.36,-20.28,;15.9,-20.19,;17.09,-19.22,;18.38,-20.05,;19.86,-19.64,)|

BDBM50451616

Cc1ccc2nc3O[C@@]4(Cn3c2c1)CN1CCC4CC1 |r,wU:8.7,THB:7:8:15.16:19.18,(21.72,-23.36,;20.57,-22.22,;20.96,-20.73,;19.86,-19.64,;18.38,-20.05,;17.09,-19.22,;15.9,-20.19,;14.36,-20.28,;13.98,-21.76,;15.26,-22.59,;16.46,-21.63,;17.99,-21.54,;19.09,-22.63,;14.28,-23.23,;12.84,-22.56,;11.22,-23.26,;11.01,-21.8,;12.56,-21.13,;12.63,-19.41,;13.11,-20.57,)|

BDBM50451617

Clc1ccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc2c1 |r,wU:7.16,THB:15:7:10.11:14.13,(20.93,-19.2,;19.37,-19.62,;18.98,-21.11,;17.49,-21.52,;16.4,-20.43,;14.86,-20.52,;13.67,-21.49,;12.38,-20.66,;12.68,-22.12,;11.24,-21.46,;9.63,-22.15,;9.42,-20.69,;10.97,-20.02,;11.04,-18.3,;11.51,-19.47,;12.77,-19.17,;14.3,-19.09,;15.5,-18.11,;16.78,-18.95,;18.27,-18.54,)|

BDBM50451618

Clc1ccc2nc3O[C@@]4(Cn3c2c1)CN1CCC4CC1 |r,wU:8.7,THB:7:8:15.16:19.18,(24.41,-22.86,;23.26,-21.72,;23.65,-20.23,;22.56,-19.15,;21.07,-19.55,;19.78,-18.72,;18.59,-19.69,;17.06,-19.78,;16.67,-21.27,;17.95,-22.09,;19.15,-21.13,;20.68,-21.04,;21.78,-22.13,;16.97,-22.73,;15.53,-22.07,;13.92,-22.76,;13.7,-21.3,;15.25,-20.63,;15.32,-18.91,;15.8,-20.07,)|

BDBM50173944

C1c2cc(cnc2O[C@]11CN2CCC1CC2)-c1ccccc1 |wD:8.8,TLB:7:8:14.15:12.11,THB:0:8:14.15:12.11,(2.37,-1.18,;2.91,-2.63,;4.33,-3.19,;4.54,-4.71,;3.34,-5.67,;1.92,-5.1,;1.69,-3.58,;.41,-2.72,;.83,-1.24,;.55,.16,;-.81,.77,;-2.28,.12,;-2.08,-1.26,;-.54,-.59,;-.28,1.3,;-.74,2.41,;5.99,-5.27,;7.18,-4.31,;8.61,-4.87,;8.85,-6.41,;7.63,-7.37,;6.2,-6.8,)|

BDBM50393243

C1c2cccnc2O[C@]11CN2CCC1CC2 |r,wU:8.8,(7.8,-.19,;8.94,.84,;10.46,.68,;11.37,1.92,;10.74,3.32,;9.22,3.48,;8.32,2.25,;6.79,2.09,;6.47,.58,;6.47,-.96,;5.13,-1.72,;3.8,-.96,;3.8,.59,;5.13,1.37,;5.89,.03,;4.39,-.37,)|

BDBM50451605

FC(F)(F)c1cccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc12 |r,wU:11.20,THB:19:11:14.15:18.17,(21.31,-17.57,;22.72,-18.38,;22.72,-16.76,;24.29,-17.96,;22.32,-19.95,;23.42,-21.04,;23.02,-22.53,;21.54,-22.93,;20.44,-21.85,;18.91,-21.94,;17.71,-22.9,;16.43,-22.07,;16.73,-23.54,;15.29,-22.87,;13.68,-23.57,;13.47,-22.11,;15.02,-21.44,;15.08,-19.72,;15.56,-20.88,;16.82,-20.59,;18.35,-20.5,;19.54,-19.53,;20.83,-20.36,)|

BDBM50451612

C1n2c(O[C@]11CN3CCC1CC3)nc1ccccc21 |r,wU:4.3,THB:3:4:7.8:11.10,(19.66,-17.13,;20.86,-16.16,;20.3,-14.73,;18.76,-14.82,;18.37,-16.3,;18.67,-17.77,;17.24,-17.1,;15.62,-17.79,;15.41,-16.34,;16.96,-15.67,;17.03,-13.95,;17.5,-15.11,;21.49,-13.75,;22.78,-14.59,;24.26,-14.18,;25.36,-15.27,;24.97,-16.76,;23.48,-17.16,;22.39,-16.08,)|

BDBM50451619

Brc1nc2O[C@]3(Cn2c1Br)CN1CCC3CC1 |r,wD:5.4,THB:4:5:13.12:16.15,(21.04,-15.01,;19.74,-15.89,;18.3,-15.35,;17.35,-16.57,;15.87,-17,;15.83,-18.54,;17.27,-19.06,;18.22,-17.85,;19.7,-17.42,;20.94,-18.38,;16.45,-19.9,;14.89,-19.58,;13.48,-20.61,;12.94,-19.23,;14.31,-18.23,;13.98,-16.54,;14.71,-17.68,)|

BDBM50451611

C1n2c(O[C@@]11CN3CCC1CC3)nc1ccccc21 |r,wD:4.3,THB:3:4:7.8:11.10,(22.42,-18.9,;23.62,-17.94,;23.06,-16.5,;21.52,-16.59,;21.14,-18.07,;21.43,-19.54,;20,-18.87,;18.38,-19.57,;18.17,-18.11,;19.72,-17.44,;19.79,-15.72,;20.27,-16.88,;24.25,-15.53,;25.54,-16.36,;27.02,-15.95,;28.12,-17.04,;27.73,-18.53,;26.24,-18.93,;25.15,-17.85,)|

BDBM50451610

Clc1cccc2nc3O[C@@]4(Cn3c12)CN1CCC4CC1 |r,wU:9.8,THB:8:9:15.16:19.18,(21.37,-23.69,;21.78,-22.13,;23.26,-21.72,;23.65,-20.23,;22.56,-19.15,;21.07,-19.55,;19.78,-18.72,;18.59,-19.69,;17.06,-19.78,;16.67,-21.27,;17.95,-22.09,;19.15,-21.13,;20.68,-21.04,;16.97,-22.73,;15.53,-22.07,;13.92,-22.76,;13.7,-21.3,;15.25,-20.63,;15.32,-18.91,;15.8,-20.07,)|

BDBM50451620

Brc1nc2O[C@@]3(Cn2c1Br)CN1CCC3CC1 |r,wU:5.4,THB:4:5:13.12:16.15,(20.16,-14,;18.86,-14.88,;17.41,-14.34,;16.47,-15.56,;14.99,-15.99,;14.94,-17.53,;16.38,-18.06,;17.33,-16.85,;18.81,-16.41,;20.06,-17.37,;15.56,-18.89,;14.01,-18.57,;12.59,-19.61,;12.06,-18.23,;13.42,-17.22,;13.1,-15.53,;13.83,-16.68,)|

BDBM50451606

FC(F)(F)c1ccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc2c1 |r,wU:10.19,THB:18:10:13.14:17.16,(24.67,-19.03,;25.09,-20.6,;26.24,-19.45,;26.25,-21.75,;23.54,-21.04,;23.14,-22.53,;21.66,-22.93,;20.57,-21.85,;19.03,-21.94,;17.84,-22.9,;16.55,-22.07,;16.85,-23.54,;15.41,-22.87,;13.8,-23.57,;13.59,-22.11,;15.14,-21.44,;15.2,-19.72,;15.68,-20.88,;16.94,-20.59,;18.47,-20.5,;19.67,-19.53,;20.95,-20.36,;22.44,-19.95,)|

BDBM50451609

Clc1cccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc12 |r,wU:8.17,THB:16:8:11.12:15.14,(20.27,-18.08,;19.86,-19.64,;20.96,-20.73,;20.57,-22.22,;19.09,-22.63,;17.99,-21.54,;16.46,-21.63,;15.26,-22.59,;13.98,-21.77,;14.28,-23.23,;12.84,-22.57,;11.23,-23.26,;11.01,-21.8,;12.56,-21.13,;12.63,-19.41,;13.11,-20.57,;14.37,-20.28,;15.9,-20.19,;17.09,-19.22,;18.38,-20.05,)|

BDBM50451607

Cc1cccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc12 |r,wU:8.17,THB:16:8:11.12:15.14,(20.88,-18.07,;20.47,-19.64,;21.57,-20.72,;21.18,-22.21,;19.7,-22.62,;18.6,-21.53,;17.07,-21.62,;15.87,-22.59,;14.59,-21.76,;14.89,-23.22,;13.45,-22.56,;11.84,-23.25,;11.62,-21.8,;13.18,-21.12,;13.24,-19.4,;13.72,-20.57,;14.98,-20.27,;16.51,-20.19,;17.7,-19.21,;18.99,-20.05,)|

BDBM50459652

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r|

BDBM50459883

O=C(N[C@H]1CN2CCC1CC2)c1ccc2ncccc2c1 |r,wU:3.2,THB:2:3:6.7:10.9,(14.8,-46.54,;14.57,-45.02,;13.14,-44.45,;11.94,-45.41,;12.23,-46.92,;10.76,-46.23,;9.1,-46.94,;8.89,-45.45,;10.48,-44.76,;10.55,-42.99,;10.95,-44.13,;15.78,-44.06,;15.54,-42.54,;16.74,-41.58,;18.18,-42.14,;19.38,-41.19,;20.8,-41.75,;21.04,-43.27,;19.83,-44.22,;18.41,-43.66,;17.21,-44.63,)|

BDBM50459888

C#CCNc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N

BDBM50465065

CC1(C)[C@H]([C@@H]1c1ccc(cc1)S(N)(=O)=O)c1noc(n1)-c1c(F)ccc(F)c1F |r|

BDBM50465066

NS(=O)(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1nsc(n1)-c1cccc(F)c1 |r|

BDBM50465067

CC(Oc1cccc(Cl)c1)c1nc(no1)[C@H]1[C@H](c2ccc(cc2)S(N)(=O)=O)C1(C)C |r|

BDBM50465068

NS(=O)(=O)c1ccc(cc1)[C@H]1[C@H](c2noc(n2)-c2ccccc2)C1(F)F |r|

BDBM50465069

CC1(C)[C@H]([C@@H]1c1ccc(cc1)S(N)(=O)=O)c1noc(n1)-c1ccc(F)cc1 |r|

BDBM50465070

Cc1nc(sc1-c1ccccc1)[C@@H]1C[C@H]1c1ccc(cc1)S(N)(=O)=O |r|

BDBM50465071

CC1(C)[C@H]([C@@H]1c1ccc(cc1)S(N)(=O)=O)c1noc(n1)C1CCCC1 |r|

BDBM50465072

CC1(C)[C@H]([C@@H]1c1ccc(cc1)S(N)(=O)=O)c1noc(n1)-c1c(F)cccc1F |r|

BDBM50465073

CC1(C)[C@H]([C@@H]1c1ccc(cc1)S(N)(=O)=O)c1noc(n1)C1CC(F)(F)C1 |r|

BDBM50465074

Cc1sc(nc1-c1ccccc1)[C@@H]1C[C@H]1c1ccc(cc1)S(N)(=O)=O |r|

BDBM50465350

[H][C@]12C(=O)OCC1=CC[C@@]1([H])C(C)(C)CCC[C@]21C |r,c:7|

BDBM50465349

[H][C@]12COC(=O)C1=CC[C@@]1([H])C(C)(C)CCC[C@]21C |c:7|

BDBM50318479

CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C=O |r,t:11|

BDBM50465351

[H][C@]12[C@H](O)OC(=O)C1=CC[C@@]1([H])C(C)(C)CCC[C@]21C |r,c:8|

BDBM50465458

CN1CCC[C@H]1c1ccccc1 |r|

BDBM50465459

[H][C@@]12CC[C@@]11Oc3nc(Cl)ccc3[C@@]1([H])CN2 |r|

BDBM50465456

Clc1ccc2C3CNC4CCC34Oc2n1

BDBM50465457

[H][C@]12CC[C@]11Oc3nc(Cl)ccc3[C@]1([H])CN2 |r|

BDBM80642

CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1

BDBM50466603

C(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCOc1ccc(C=Cc2ccccc2)cc1

BDBM50466605

COc1cc(OC)cc(C=Cc2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1

BDBM50466606

CC[N+](CC)(CC)CCCCOc1ccc(C=Cc2cc(OC)cc(OC)c2)cc1

BDBM50466607

CC[N+](CC)(CC)CCCCCCOc1ccc(C=Cc2ccccc2)cc1

BDBM50466608

CC[N+](CC)(CC)CCCCCCCCOc1ccc(C=Cc2ccccc2)cc1

BDBM50466609

C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)COc1ccc(C=Cc2ccccc2)cc1

BDBM50466610

C(CCOc1ccc(C=Cc2ccccc2)cc1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

BDBM50466611

C(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCCOc1ccc(C=Cc2ccccc2)cc1

BDBM50466612

C(CCCCOc1ccc(C=Cc2ccccc2)cc1)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

BDBM50466613

CC[N+](CC)(CC)CCOc1ccc(C=Cc2cc(OC)cc(OC)c2)cc1

BDBM50466614

CC[N+](CC)(CC)CCCCOc1ccc(C=Cc2ccccc2)cc1

BDBM50466604

C(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCCCOc1ccc(C=Cc2ccccc2)cc1

BDBM50466615

C(CCCOc1ccc(C=Cc2ccccc2)cc1)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

BDBM50466616

C(COc1ccc(C=Cc2ccccc2)cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1

BDBM50472783

[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2cc(I)ccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,18:21:25.26.24:47.51.48,19:18:10.3.5:51,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12|

BDBM50472784

[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2c([3H])cccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,18:21:25.26.24:47.51.48,19:18:10.3.5:51,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12|

BDBM50366779

CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)|

BDBM50001942

[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2cc([125I])ccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,19:18:10.3.5:51,18:21:25.26.24:47.51.48,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12|

BDBM50473412

C[N+]1(C)CCC(CC1)c1ccccc1

BDBM50473417

C[N+]1(C)CCN(CC1)c1ccc(Cl)nn1

BDBM50473418

CN1CCN(CC1)c1cccc(OC(C)=O)c1

BDBM50473425

Clc1ccc(nn1)N1CCNCC1

BDBM50473437

C[N+]1(C)CCN(CC1)c1cccc(F)c1

BDBM50473446

C[N+]1(C)CCN(CC1)C1=CC(=O)CCC1

BDBM50473453

C[N+]1(C)CCC(=CC1)c1ccccc1

BDBM50473414

CC(=O)Oc1cccc(c1)N1CC[N+](C)(C)CC1

BDBM50473468

C[N+]1(C)CCN(CC1)C1=CC(=O)CC1

BDBM50485636

COc1cc2CCN3CCC(CC3c2cc1OC)c1ccccc1

BDBM50485637

CC1CCN(CC(O)COc2ccc(cc2)-c2ccccc2)CC1

BDBM50485638

CC1CC2(CCCC2)NCc2cc(ccc12)[N+]([O-])=O

BDBM50485639

CC1CCN2CCc3c([nH]c4ccccc34)C2C1

BDBM50485640

CN1CCc2[nH]c3ccccc3c2C1

BDBM50485641

CC1C(N(C)C(C\C1=N/O)c1ccccc1)c1ccccc1

BDBM50485642

CC1CC2(CCCCCC2)NCc2ccccc12

BDBM50485643

C1CN2CCC1C(C2)c1ccccc1 |THB:8:6:0.1:4.3,(-1.15,-3.06,;-.95,-4.47,;.61,-3.8,;.87,-1.86,;.42,-.73,;.35,-2.4,;1.72,-3.02,;2.01,-4.45,;2.93,-2.06,;2.7,-.54,;3.9,.42,;5.34,-.15,;5.57,-1.67,;4.36,-2.63,)|

BDBM50485644

CC1C(NC(C(C)C1(C)O)c1ccccc1)c1ccccc1

BDBM50485645

OC(COCC#N)C[n+]1ccccc1

BDBM50487992

[O-][N+](=O)\C=C1\NCCCN1Cc1ccc(Cl)nc1

BDBM50078044

Clc1ccc(Cn2ccsc2=N)cn1

BDBM50078048

NC1=NCCN1Cc1ccc(Cl)nc1 |t:1|

BDBM50472282

Clc1ccc(CN2CCSC2=N)cn1

BDBM50212288

[O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4|

BDBM50251868

c1cc(ncc1CN\2CCS/C2=N\C#N)Cl

BDBM50493772

[H][C@]12CC[C@]([H])(C1)C(Cc1ccc(O)cc1)C(=N2)c1cccnc1 |r,c:18|

BDBM50493773

[H][C@@]12CC[C@@]([H])(C1)C(Cc1ccc(OC)cc1OC)C(=N2)c1cccnc1 |r,c:21|

BDBM50493774

[H][C@]12CC[C@]([H])(C1)C(Cc1ccc(OC)cc1OC)C(=N2)c1cccnc1 |r,c:21|

BDBM50493775

[H][C@]12CC[C@]([H])(C1)C(Cc1ccc(N)cc1)C(=N2)c1cccnc1 |r,c:18|

BDBM50494621

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)c1ccc(cc1)-n1ccnc1)C2 |r|

BDBM50494622

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)C#Cc1ccccc1)C2 |r|

BDBM50494623

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)\C=C\c1cccs1)C2 |r|

BDBM50494624

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)Cc1ccc3ccccc3c1)C2 |r|

BDBM50494625

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)Cc1ccccc1)C2 |r|

BDBM50143282

C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2

BDBM50494629

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)\C=C\c1ccc3OCOc3c1)C2 |r|

BDBM50494630

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)[C@@H]1C[C@H]1c1ccccc1)C2 |r|

BDBM50494634

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)c1ccc(cc1)-c1cccnc1)C2 |r|

BDBM50494643

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)C#Cc1cccc(F)c1)C2 |r|

BDBM50494644

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)C#Cc1ccc(OC)c(Cl)c1)C2 |r|

BDBM50494645

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)C#Cc1cccc(OC)c1)C2 |r|

BDBM50494646

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)C#Cc1ccccc1OC)C2 |r|

BDBM50494647

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)\C=C\c1ccncc1)C2 |r|

BDBM50494648

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)\C=C\c1cccnc1)C2 |r|

BDBM50494631

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)\C=C\c1ccc(F)cc1)C2 |r|

BDBM50494649

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)\C=C\c1cccc(Cl)c1)C2 |r|

BDBM50494650

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)\C=C\c1ccccc1)C2 |r|

BDBM50494651

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)COc1ccccc1Cl)C2 |r|

BDBM50494652

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)CCc1cccnc1)C2 |r|

BDBM50494637

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)CCc1ccccc1)C2 |r|

BDBM50494638

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)Cc1ccncc1)C2 |r|

BDBM50494653

[H][C@@]12CNC[C@@]([H])(C1)c1ccc(-c3ccc4OCOc4c3)c(=O)n1C2 |r,THB:9:8:2.3.4:7|

BDBM50494654

[H][C@@]12CNC[C@@]([H])(C1)c1ccc(-c3ccncc3)c(=O)n1C2 |r,THB:9:8:2.3.4:7|

BDBM50494642

[H][C@@]12CNC[C@@]([H])(C1)c1ccc(-c3ccccc3)c(=O)n1C2 |r,THB:9:8:2.3.4:7|

BDBM50494662

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)C#Cc1cccc3ccccc13)C2 |r|

BDBM50494640

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)Cc1ccc(cc1)S(C)(=O)=O)C2 |r|

BDBM50494655

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)C#Cc1ccc3OCOc3c1)C2 |r|

BDBM50494626

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)C#Cc1ccc(OC)c(OC)c1)C2 |r|

BDBM50494627

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)\C=C\c1cccc3ccccc13)C2 |r|

BDBM50494663

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)\C=C\c1ccsc1)C2 |r|

BDBM50494659

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)\C=C\c1cccc(Br)c1)C2 |r|

BDBM50494664

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)CCc1cc(OC)c(OC)c(OC)c1)C2 |r|

BDBM50494635

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)Cc1ccc3OCOc3c1)C2 |r|

BDBM50494665

[H][C@@]12CNC[C@@]([H])(C1)c1ccc(-c3cccnc3)c(=O)n1C2 |r,THB:9:8:2.3.4:7|

BDBM50494639

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)Cc1cccnc1)C2 |r|

BDBM50494657

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)C#Cc1ccc(OC)cc1)C2 |r|

BDBM50494656

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)C#Cc1ccc(C)cc1)C2 |r|

BDBM50494632

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)c1ccc(cc1)-c1ccncc1)C2 |r|

BDBM50494667

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)\C=C\c1ccco1)C2 |r|

BDBM50494641

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)c1ccccc1)C2 |r,TLB:10:8:18:4.2.3|

BDBM50494666

[H][C@]12CNC[C@]([H])(CN(C1)C(=O)Cc1cc(C)no1)C2 |r|

BDBM50500405

COc1ccc(cc1)-n1cc(nn1)C1(O)CN2CCC1CC2 |THB:14:13:18.17:20.21,10:13:18.17:20.21,(-10.3,1.6,;-9.66,.55,;-8.12,.58,;-7.32,-.73,;-5.78,-.69,;-5.04,.66,;-5.84,1.97,;-7.38,1.94,;-3.51,.81,;-2.48,-.34,;-1.09,.29,;-1.23,1.81,;-2.73,2.14,;.25,-.49,;1.3,.14,;1.76,-2.89,;-.88,-3.53,;.22,-2.89,;.22,-1.61,;-.88,-.99,;-1.96,-1.61,;-1.96,-2.89,)|

BDBM50500408

Fc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:12.13,(-3.22,5.47,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500409

Fc1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:12.13,(-.45,5.37,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500410

Fc1ccc(cc1)-c1cn(nn1)[C@@H]1CN2CCC1CC2 |r,wU:12.13,(-3.22,5.47,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500406

COc1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-.87,6.72,;-.29,5.63,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500411

Clc1ccc(cc1Cl)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-3.22,5.47,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-1.11,4.33,;-.45,5.37,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500412

C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccncc1 |r,wD:6.9,(5.21,-2.38,;5.21,-4.01,;3.81,-4.83,;4.33,-3.38,;3.26,-2.74,;3.81,-1.57,;2.43,-2.41,;2.41,-4.03,;1.05,-1.6,;.92,-.08,;-.59,.25,;-1.37,-1.07,;-.35,-2.23,;-1.2,1.67,;-.39,2.97,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,)|

BDBM50500413

OCc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-4.6,5.79,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500414

COc1ccc(cn1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-4.6,5.79,;-3.37,5.75,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-1.11,4.33,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500415

OCCOc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:15.16,(-6.86,7.21,;-5.63,7.16,;-4.91,5.8,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500416

FCCOc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:15.16,(-6.86,7.21,;-5.63,7.16,;-4.91,5.8,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500417

C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc2sccc2c1 |r,wD:6.9,(5.21,-2.38,;5.21,-4.01,;3.81,-4.82,;4.33,-3.38,;3.26,-2.73,;3.81,-1.57,;2.43,-2.41,;2.41,-4.02,;1.04,-1.6,;.91,-.08,;-.59,.25,;-1.37,-1.07,;-.35,-2.22,;-1.2,1.67,;-.38,2.96,;-1.1,4.34,;-2.64,4.39,;-3.62,5.57,;-5.05,4.99,;-4.95,3.48,;-3.46,3.1,;-2.76,1.72,)|

BDBM50500418

FC1(CN2CCC1CC2)c1cn(nn1)-c1ccc(Br)cc1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(1.3,.14,;.25,-.49,;1.76,-2.89,;-.88,-3.54,;.22,-2.89,;.22,-1.61,;-.88,-.99,;-1.97,-1.61,;-1.97,-2.89,;-1.1,.29,;-2.49,-.34,;-3.52,.81,;-2.74,2.14,;-1.23,1.81,;-5.05,.66,;-5.79,-.69,;-7.33,-.73,;-8.13,.58,;-9.37,.55,;-7.39,1.94,;-5.85,1.98,)|

BDBM50500419

COc1ccc(cc1)-n1cc(nn1)C1(F)CN2CCC1CC2 |THB:14:13:18.17:20.21,10:13:18.17:20.21,(-10.3,1.6,;-9.66,.55,;-8.12,.58,;-7.32,-.73,;-5.78,-.69,;-5.04,.66,;-5.84,1.97,;-7.38,1.94,;-3.51,.81,;-2.48,-.34,;-1.09,.29,;-1.23,1.81,;-2.73,2.14,;.25,-.49,;1.3,.14,;1.76,-2.89,;-.88,-3.53,;.22,-2.89,;.22,-1.61,;-.88,-.99,;-1.96,-1.61,;-1.96,-2.89,)|

BDBM50500420

O=C(N[C@@H]1CN2CCC1CC2)c1cc2ccoc2cn1 |r,wU:3.2,(-.26,-3.61,;-.24,-2.38,;1.09,-1.62,;2.42,-2.41,;2.41,-4.02,;3.8,-4.81,;5.2,-4,;5.2,-2.38,;3.8,-1.56,;3.25,-2.73,;4.32,-3.37,;-1.57,-1.6,;-2.92,-2.36,;-4.24,-1.55,;-5.7,-1.99,;-6.58,-.77,;-5.66,.47,;-4.21,-.02,;-2.87,.74,;-1.54,-.07,)|

BDBM50500422

C1CN2CCC1[C@H](C2)n1cc(nn1)-c1cccs1 |r,wD:6.9,(5.21,-2.38,;5.21,-4.01,;3.81,-4.83,;4.33,-3.38,;3.26,-2.74,;3.81,-1.57,;2.43,-2.41,;2.41,-4.03,;1.05,-1.6,;.92,-.08,;-.59,.25,;-1.37,-1.07,;-.35,-2.23,;-1.2,1.67,;-.52,3.03,;-1.63,4.1,;-2.99,3.37,;-2.72,1.86,)|

BDBM50500423

COCOCCOc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:18.19,(-10.01,9.72,;-9.44,8.63,;-7.9,8.58,;-7.17,7.22,;-5.63,7.16,;-4.91,5.8,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500424

FCCc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:14.15,(-5.49,6.89,;-4.91,5.8,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500425

Clc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:12.13,(-3.22,5.47,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500426

OCCc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:14.15,(-5.49,6.89,;-4.91,5.8,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500427

C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccccc1 |r,wD:6.9,(5.21,-2.38,;5.21,-4.01,;3.81,-4.83,;4.33,-3.38,;3.26,-2.74,;3.81,-1.57,;2.43,-2.41,;2.41,-4.03,;1.05,-1.6,;.92,-.08,;-.59,.25,;-1.37,-1.07,;-.35,-2.23,;-1.2,1.67,;-.39,2.97,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,)|

BDBM50500428

Fc1ccccc1-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:12.13,(.84,2.92,;-.39,2.97,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500429

COc1ccccc1-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(1.81,3.95,;1.15,2.91,;-.39,2.97,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500430

COc1ccc2cc(ccc2c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:17.19,(4,-2.78,;4,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;-4.02,1.55,;-5.41,.92,;-6.44,2.07,;-5.66,3.4,;-4.15,3.07,;-7.98,1.92,;-8.78,3.32,;-10.4,3.29,;-11.18,1.87,;-10.35,.47,;-8.73,.49,;-8.85,1.78,;-10.11,1.78,)|

BDBM50500431

Fc1ccc(cn1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:12.13,(-3.22,5.47,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-1.11,4.33,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500421

C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc2occc2c1 |r,wD:6.9,(5.21,-2.38,;5.21,-4.01,;3.81,-4.82,;4.33,-3.38,;3.26,-2.73,;3.81,-1.57,;2.43,-2.41,;2.41,-4.02,;1.04,-1.6,;.91,-.08,;-.59,.25,;-1.37,-1.07,;-.35,-2.22,;-1.2,1.67,;-.38,2.96,;-1.1,4.34,;-2.64,4.39,;-3.62,5.57,;-5.05,4.99,;-4.95,3.48,;-3.46,3.1,;-2.76,1.72,)|

BDBM50500407

C1CN2CCC1C(C2)n1cc(nn1)-c1ccc2[nH]ccc2c1 |(5.21,-2.38,;5.21,-4.01,;3.81,-4.82,;4.33,-3.38,;3.26,-2.73,;3.81,-1.57,;2.43,-2.41,;2.41,-4.02,;1.04,-1.6,;-.33,-2.26,;-1.38,-1.13,;-.63,.22,;.88,-.08,;-2.91,-1.31,;-3.61,-2.67,;-5.16,-2.76,;-5.99,-1.45,;-7.5,-1.2,;-7.73,.32,;-6.37,.99,;-5.29,-.09,;-3.75,.01,)|

BDBM50500432

Fc1ccc(cc1F)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-3.22,5.47,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-1.11,4.33,;-.45,5.37,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500433

FCc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-4.6,5.79,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500434

COc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-4.6,5.79,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50500435

OC1(CN2CCC1CC2)c1cn(nn1)-c1ccc(Br)cc1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(1.3,.14,;.25,-.49,;1.76,-2.89,;-.88,-3.54,;.22,-2.89,;.22,-1.61,;-.88,-.99,;-1.97,-1.61,;-1.97,-2.89,;-1.1,.29,;-2.49,-.34,;-3.52,.81,;-2.74,2.14,;-1.23,1.81,;-5.05,.66,;-5.79,-.69,;-7.33,-.73,;-8.13,.58,;-9.37,.55,;-7.39,1.94,;-5.85,1.98,)|

BDBM50503207

Cc1cc(C)cc(Nc2nc3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)c1 |(39.66,-42.64,;38.89,-43.97,;37.35,-43.98,;36.58,-45.33,;35.04,-45.34,;37.36,-46.65,;38.9,-46.64,;39.67,-47.97,;41.21,-47.96,;42.12,-49.2,;43.59,-48.72,;44.92,-49.49,;46.26,-48.72,;46.25,-47.17,;47.58,-46.4,;47.57,-44.86,;46.23,-44.1,;48.89,-44.08,;50.24,-44.85,;50.24,-46.39,;48.91,-47.16,;48.92,-48.71,;44.92,-46.41,;44.91,-44.87,;43.58,-47.18,;42.11,-46.71,;39.67,-45.3,)|

BDBM50503208

Cc1cccc(Cl)c1-n1cnc2nc(SCc3ccccc3F)sc2c1=O |(54.66,-11.91,;55.99,-12.68,;57.32,-11.9,;58.66,-12.66,;58.67,-14.2,;57.34,-14.98,;57.34,-16.52,;56,-14.21,;54.68,-14.98,;54.68,-16.53,;53.35,-17.3,;52.01,-16.53,;50.55,-17.02,;49.64,-15.77,;48.1,-15.78,;47.33,-17.12,;45.79,-17.12,;45.04,-18.46,;43.5,-18.47,;42.72,-17.13,;43.49,-15.8,;45.03,-15.79,;45.79,-14.46,;50.54,-14.53,;52,-15,;53.34,-14.22,;53.34,-12.68,)|

BDBM50503209

Cc1cccc(Cl)c1-n1cnc2nc(SCc3ccccc3)sc2c1=O |(37.91,-8.91,;39.24,-9.68,;40.57,-8.91,;41.91,-9.69,;41.91,-11.23,;40.57,-11.99,;40.56,-13.53,;39.24,-11.22,;37.91,-11.98,;37.91,-13.52,;36.58,-14.29,;35.25,-13.52,;33.79,-14.01,;32.87,-12.77,;31.33,-12.77,;30.56,-11.44,;29.02,-11.45,;28.24,-10.12,;26.7,-10.13,;25.94,-11.47,;26.72,-12.81,;28.26,-12.79,;33.78,-11.51,;35.24,-11.98,;36.58,-11.2,;36.59,-9.66,)|

BDBM50503210

Cc1cccc(Cl)c1-n1cnc2nc(Nc3cccc(F)c3)sc2c1=O |(46.71,-33.6,;48.05,-34.36,;49.37,-33.58,;50.72,-34.35,;50.72,-35.89,;49.39,-36.67,;49.4,-38.21,;48.05,-35.9,;46.73,-36.67,;46.73,-38.22,;45.39,-38.99,;44.06,-38.22,;42.6,-38.7,;41.69,-37.46,;40.15,-37.47,;39.37,-36.14,;37.83,-36.15,;37.05,-34.83,;37.82,-33.48,;39.36,-33.47,;40.13,-32.14,;40.14,-34.8,;42.59,-36.21,;44.05,-36.68,;45.39,-35.91,;45.39,-34.36,)|

BDBM50503211

Cc1cccc(Cl)c1-n1cnc2nc(Nc3cc(C)c(C)c(C)c3)sc2c1=O |(64.21,-42.88,;65.55,-43.65,;66.87,-42.87,;68.22,-43.63,;68.22,-45.17,;66.89,-45.95,;66.9,-47.49,;65.56,-45.18,;64.23,-45.95,;64.24,-47.5,;62.9,-48.27,;61.56,-47.5,;60.1,-47.98,;59.19,-46.74,;57.65,-46.75,;56.88,-45.42,;57.64,-44.09,;56.87,-42.76,;57.63,-41.42,;55.33,-42.76,;54.55,-41.43,;54.56,-44.11,;53.02,-44.12,;55.34,-45.43,;60.09,-45.49,;61.56,-45.96,;62.89,-45.19,;62.89,-43.65,)|

BDBM50503212

Cc1ccc(Nc2nc3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)cc1F |(71.29,-48.14,;72.07,-49.47,;71.3,-50.81,;72.08,-52.14,;73.62,-52.12,;74.39,-53.45,;75.93,-53.45,;76.84,-54.69,;78.3,-54.21,;79.64,-54.98,;80.97,-54.21,;80.97,-52.66,;82.29,-51.88,;82.29,-50.35,;80.95,-49.59,;83.61,-49.57,;84.96,-50.34,;84.96,-51.88,;83.63,-52.65,;83.64,-54.19,;79.63,-51.89,;79.63,-50.35,;78.3,-52.67,;76.83,-52.2,;74.38,-50.79,;73.61,-49.46,;74.37,-48.13,)|

BDBM50503213

Cc1cccc(Cl)c1-n1cnc2nc(SCc3ccc(F)cc3)sc2c1=O |(15.79,-23.85,;17.13,-24.61,;18.46,-23.83,;19.8,-24.59,;19.81,-26.14,;18.48,-26.91,;18.48,-28.45,;17.14,-26.14,;15.81,-26.91,;15.82,-28.46,;14.48,-29.24,;13.15,-28.46,;11.69,-28.95,;10.78,-27.7,;9.24,-27.71,;8.47,-29.05,;6.93,-29.05,;6.16,-27.72,;4.62,-27.73,;3.86,-29.06,;2.32,-29.07,;4.64,-30.4,;6.18,-30.39,;11.68,-26.46,;13.14,-26.93,;14.48,-26.15,;14.47,-24.61,)|

BDBM50503214

Cc1cccc(Cl)c1-n1cnc2nc(SCc3ccc(Cl)cc3)sc2c1=O |(81.57,-21.58,;82.91,-22.34,;84.23,-21.56,;85.58,-22.32,;85.58,-23.87,;84.25,-24.64,;84.26,-26.18,;82.92,-23.87,;81.59,-24.64,;81.6,-26.19,;80.26,-26.97,;78.92,-26.19,;77.46,-26.68,;76.55,-25.43,;75.01,-25.44,;74.25,-26.78,;72.71,-26.78,;71.94,-25.45,;70.4,-25.46,;69.63,-26.79,;68.09,-26.8,;70.42,-28.13,;71.95,-28.12,;77.45,-24.19,;78.92,-24.66,;80.26,-23.88,;80.25,-22.34,)|

BDBM50503215

Cc1ccc(Nc2nc3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)cc1C |(18.26,-42.59,;19.04,-43.92,;18.27,-45.27,;19.05,-46.59,;20.59,-46.58,;21.36,-47.91,;22.9,-47.9,;23.81,-49.15,;25.27,-48.66,;26.61,-49.44,;27.95,-48.66,;27.94,-47.11,;29.27,-46.34,;29.26,-44.81,;27.92,-44.05,;30.58,-44.03,;31.93,-44.79,;31.93,-46.33,;30.6,-47.11,;30.61,-48.65,;26.61,-46.35,;26.6,-44.81,;25.27,-47.13,;23.8,-46.66,;21.35,-45.25,;20.58,-43.92,;21.35,-42.58,)|

BDBM50503216

Cc1cccc(Nc2nc3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)c1 |(75.97,-11.61,;75.2,-12.95,;73.66,-12.95,;72.9,-14.3,;73.68,-15.62,;75.21,-15.61,;75.99,-16.94,;77.53,-16.93,;78.44,-18.17,;79.9,-17.69,;81.23,-18.46,;82.57,-17.69,;82.56,-16.14,;83.89,-15.37,;83.88,-13.84,;82.54,-13.07,;85.21,-13.06,;86.55,-13.82,;86.56,-15.36,;85.23,-16.14,;85.23,-17.68,;81.23,-15.38,;81.22,-13.84,;79.89,-16.15,;78.43,-15.68,;75.98,-14.28,)|

BDBM50503217

Cc1nc(Cl)cc(Nc2nc3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)n1 |(6.57,-2.59,;5.81,-3.92,;4.27,-3.93,;3.5,-5.27,;1.96,-5.29,;4.28,-6.6,;5.82,-6.59,;6.59,-7.92,;8.13,-7.91,;9.04,-9.15,;10.5,-8.67,;11.84,-9.44,;13.18,-8.67,;13.17,-7.12,;14.5,-6.35,;14.49,-4.81,;13.15,-4.05,;15.81,-4.03,;17.16,-4.8,;17.16,-6.34,;15.83,-7.11,;15.84,-8.65,;11.84,-6.35,;11.83,-4.81,;10.5,-7.13,;9.03,-6.66,;6.58,-5.25,)|

BDBM50503218

Cc1ccc(cc1)C(=O)Nc1nc2ncn(-c3c(C)cccc3Cl)c(=O)c2s1 |(1.75,-7.3,;3.29,-7.29,;4.06,-5.96,;5.6,-5.95,;6.36,-7.28,;5.61,-8.62,;4.07,-8.63,;7.9,-7.28,;8.68,-8.61,;8.67,-5.94,;10.21,-5.93,;11.12,-7.17,;12.58,-6.69,;13.91,-7.46,;15.25,-6.69,;15.25,-5.14,;16.57,-4.37,;16.56,-2.84,;15.22,-2.07,;17.89,-2.06,;19.23,-2.82,;19.24,-4.36,;17.91,-5.14,;17.91,-6.68,;13.91,-4.38,;13.91,-2.84,;12.57,-5.15,;11.11,-4.69,)|

BDBM50503219

Cc1ccc(Nc2nc3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)cc1 |(8.61,-8.5,;9.38,-9.83,;10.92,-9.82,;11.7,-11.14,;10.93,-12.48,;11.72,-13.81,;13.26,-13.8,;14.17,-15.04,;15.63,-14.56,;16.96,-15.32,;18.29,-14.56,;18.29,-13.02,;19.62,-12.25,;19.62,-10.72,;18.28,-9.95,;20.95,-9.95,;22.29,-10.72,;22.29,-12.26,;20.95,-13.03,;20.94,-14.57,;16.96,-12.24,;16.96,-10.7,;15.62,-13.02,;14.15,-12.55,;9.4,-12.49,;8.62,-11.17,)|

BDBM50503220

Cc1cccc(Cl)c1-n1cnc2nc(SCc3cccc(F)c3)sc2c1=O |(74.5,-11.55,;75.83,-12.31,;77.16,-11.53,;78.51,-12.3,;78.51,-13.84,;77.18,-14.61,;77.18,-16.15,;75.84,-13.84,;74.52,-14.62,;74.52,-16.17,;73.19,-16.94,;71.85,-16.17,;70.39,-16.65,;69.48,-15.41,;67.94,-15.41,;67.18,-16.75,;65.64,-16.76,;64.88,-18.09,;63.35,-18.1,;62.56,-16.77,;63.33,-15.43,;62.55,-14.1,;64.87,-15.42,;70.38,-14.16,;71.85,-14.63,;73.18,-13.85,;73.18,-12.31,)|

BDBM50503221

Cc1cccc(Cl)c1-n1cnc2nc(SCc3ccc(F)cc3F)sc2c1=O |(36.3,-33.01,;37.64,-33.77,;38.96,-32.99,;40.31,-33.75,;40.32,-35.3,;38.99,-36.07,;38.99,-37.61,;37.65,-35.3,;36.32,-36.07,;36.33,-37.62,;34.99,-38.4,;33.66,-37.63,;32.2,-38.11,;31.29,-36.87,;29.75,-36.87,;28.98,-38.21,;27.44,-38.21,;26.69,-39.55,;25.15,-39.56,;24.37,-38.23,;22.83,-38.23,;25.13,-36.89,;26.67,-36.88,;27.44,-35.55,;32.19,-35.62,;33.65,-36.09,;34.99,-35.31,;34.98,-33.77,)|

BDBM50503425

C(C1CN2CCC1CC2)c1nc(no1)-c1ccco1

BDBM50503426

C(C1CN2CCC1CC2)c1nc(no1)-c1cccs1

BDBM50503427

C(C1CN2CCC1CC2)c1nc(no1)-c1ccncc1

BDBM50503428

C(C1CN2CCC1CC2)c1nc(no1)-c1ccccc1

BDBM50503429

COc1ccc(cc1)-c1noc(CC2CN3CCC2CC3)n1

BDBM50056147

Cc1ncccc1OC[C@@H]1CCCN1

BDBM50049756

CN1CCC[C@H]1COc1cccnc1

BDBM50056150

Cc1ncccc1OC[C@H]1CCCN1

BDBM50056149

CN1CCC[C@@H]1COc1cccnc1C

BDBM50056148

CN1CCC[C@H]1COc1cccnc1C

BDBM50035398

CN1CCC[C@H]1c1cc(C)no1 |r|

BDBM50508714

CN1CCCC1c1cncc(c1)-c1cn(CCOCCOCCOCCO)nn1

BDBM50508715

CN1CCCC1c1cncc(c1)-c1cn(CCOCCOCCOCCn2cc(nn2)-c2cncc(c2)C2CCCN2C)nn1

BDBM50508716

CN1CCCC1c1cncc(c1)-c1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(nn2)-c2cncc(c2)C2CCCN2C)nn1

BDBM50508717

CN1CCCC1c1cncc(c1)-c1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(nn2)-c2cncc(c2)C2CCCN2C)nn1

BDBM50508718

[H][C@@]12O[C@H](CO)[C@@]([H])(O[C@H]3O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@]([H])(O[C@H]6O[C@H](Cn7cc(nn7)-c7cncc(c7)C7CCCN7C)[C@@H](O[C@@]7([H])O[C@H](CO)[C@@]([H])(O[C@H]8O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r|

BDBM50508719

CN1CCCC1c1cncc(c1)-c1cn(CCOCCOCCOCCOCCOCCOCCOCCn2cc(nn2)-c2cncc(c2)C2CCCN2C)nn1

BDBM50508720

[H][C@@]12O[C@H](Cn3cc(nn3)-c3cncc(c3)C3CCCN3C)[C@@]([H])(O[C@H]3O[C@H](Cn4cc(nn4)-c4cncc(c4)C4CCCN4C)[C@@H](O[C@@]4([H])O[C@H](Cn5cc(nn5)-c5cncc(c5)C5CCCN5C)[C@@]([H])(O[C@H]5O[C@H](Cn6cc(nn6)-c6cncc(c6)C6CCCN6C)[C@@]([H])(O[C@H]6O[C@H](Cn7cc(nn7)-c7cncc(c7)C7CCCN7C)[C@@]([H])(O[C@H]7O[C@H](Cn8cc(nn8)-c8cncc(c8)C8CCCN8C)[C@@]([H])(O[C@H]8O[C@H](Cn9cc(nn9)-c9cncc(c9)C9CCCN9C)[C@@H](O1)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r|

BDBM50508721

CN1CCCC1c1cncc(c1)-c1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(nn2)-c2cncc(c2)C2CCCN2C)nn1

BDBM50508933

[H][C@@]12CC=C(C)[C@@]([H])(C1)[C@]([H])(NC2(C)C)c1ccnc2ccccc12 |r,t:3|

BDBM50508934

[H][C@@]12CC[C@@]3(C)c4[nH]c5ccccc5c4C[C@@]([H])(NC1(C)C)[C@@]3([H])C2 |r|

BDBM50508993

COc1cc2CCn3c(cc(OCCN4CCCCC4)nc3=O)-c2cc1OC

BDBM50508995

COc1ccccc1CN1CCN(CCCCCOc2cccc3[nH]c4ccccc4c23)CC1

BDBM50513576

C(N1CCCCC1)c1ccc(cc1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:24.27,(17.11,-19.59,;18.62,-19.59,;19.38,-20.89,;20.88,-20.89,;21.64,-19.58,;20.88,-18.27,;19.36,-18.27,;16.36,-20.91,;17.14,-22.24,;16.37,-23.58,;14.83,-23.59,;14.04,-22.26,;14.81,-20.92,;14.05,-24.91,;14.83,-26.25,;14.06,-27.58,;12.52,-27.58,;11.75,-26.25,;12.51,-24.92,;10.21,-26.25,;9.18,-27.4,;7.77,-26.76,;7.93,-25.23,;9.45,-24.91,;6.43,-27.53,;6.43,-29.08,;5.1,-29.84,;3.77,-29.08,;3.77,-27.53,;5.1,-26.76,;5.48,-28.09,;4.64,-28.54,)|

BDBM50513577

OCc1cccc(c1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(20.33,-48.44,;19.09,-49.34,;17.69,-48.72,;17.53,-47.19,;16.11,-46.56,;14.88,-47.47,;15.05,-48.99,;16.45,-49.63,;13.8,-49.9,;13.8,-51.44,;12.34,-51.91,;11.42,-50.67,;12.34,-49.43,;9.89,-50.67,;8.83,-51.85,;7.38,-51.2,;7.55,-49.62,;9.1,-49.3,;5.99,-51.99,;5.99,-53.58,;4.62,-54.37,;3.25,-53.58,;3.25,-51.99,;4.62,-51.2,;5.01,-52.57,;4.14,-53.03,)|

BDBM50513578

OCc1ccc(cc1)-c1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.21,(20.14,-21.59,;19.36,-20.26,;17.83,-20.27,;17.06,-21.6,;15.52,-21.6,;14.75,-20.27,;15.51,-18.94,;17.05,-18.93,;13.22,-20.27,;12.44,-21.61,;10.91,-21.61,;10.14,-20.27,;10.9,-18.94,;12.44,-18.93,;8.6,-20.27,;7.53,-21.46,;6.08,-20.8,;6.25,-19.22,;7.81,-18.9,;4.69,-21.6,;4.69,-23.19,;3.32,-23.98,;1.94,-23.19,;1.94,-21.6,;3.32,-20.8,;3.71,-22.17,;2.84,-22.64,)|

BDBM50513579

FCC1CCN(Cc2ccc(cc2)-c2ccc(s2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:23.25,(45.11,-36.08,;43.86,-36.99,;42.46,-36.36,;41.21,-37.26,;39.81,-36.63,;39.65,-35.11,;38.25,-34.48,;37,-35.39,;37.16,-36.92,;35.92,-37.83,;34.51,-37.19,;34.35,-35.67,;35.58,-34.77,;33.27,-38.1,;33.27,-39.63,;31.81,-40.11,;30.9,-38.87,;31.81,-37.63,;29.37,-38.87,;28.3,-40.05,;26.85,-39.4,;27.02,-37.82,;28.58,-37.5,;25.47,-40.19,;25.47,-41.78,;24.1,-42.57,;22.73,-41.78,;22.73,-40.19,;24.1,-39.39,;24.49,-40.76,;23.62,-41.23,;40.89,-34.19,;42.3,-34.82,)|

BDBM50513580

OCc1ccc(s1)-c1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(44.61,-20.52,;43.2,-19.9,;41.96,-20.81,;41.96,-22.35,;40.5,-22.82,;39.59,-21.58,;40.49,-20.33,;38.05,-21.58,;37.28,-22.92,;35.74,-22.92,;34.97,-21.58,;35.73,-20.25,;37.27,-20.24,;33.43,-21.58,;32.37,-22.77,;30.91,-22.12,;31.08,-20.53,;32.64,-20.21,;29.52,-22.91,;29.52,-24.5,;28.14,-25.3,;26.77,-24.5,;26.77,-22.91,;28.14,-22.11,;28.53,-23.49,;27.66,-23.95,)|

BDBM50513584

OCCOc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:20.22,(20.85,-1.68,;19.45,-1.06,;18.2,-1.97,;16.79,-1.34,;15.55,-2.25,;15.71,-3.78,;14.47,-4.69,;13.06,-4.05,;12.89,-2.53,;14.13,-1.63,;11.82,-4.96,;11.82,-6.49,;10.36,-6.97,;9.45,-5.73,;10.36,-4.49,;7.92,-5.73,;6.85,-6.91,;5.4,-6.26,;5.57,-4.68,;7.13,-4.36,;4.02,-7.05,;4.02,-8.64,;2.65,-9.43,;1.28,-8.64,;1.28,-7.05,;2.65,-6.25,;3.04,-7.62,;2.17,-8.09,)|

BDBM50513585

OCCc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.21,(87.64,-43.84,;86.4,-44.75,;84.99,-44.12,;83.75,-45.03,;83.91,-46.56,;82.66,-47.47,;81.26,-46.83,;81.09,-45.31,;82.33,-44.4,;80.01,-47.74,;80.01,-49.27,;78.56,-49.75,;77.65,-48.51,;78.55,-47.26,;76.11,-48.51,;75.05,-49.69,;73.6,-49.04,;73.77,-47.46,;75.32,-47.14,;72.22,-49.83,;72.22,-51.42,;70.85,-52.21,;69.48,-51.42,;69.48,-49.83,;70.85,-49.03,;71.24,-50.4,;70.37,-50.87,)|

BDBM50513586

C(N1CCOCC1)c1cccc(c1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:24.27,(16,-44.44,;16.75,-43.13,;18.27,-43.12,;19.02,-41.82,;18.26,-40.51,;16.75,-40.51,;15.99,-41.82,;14.49,-44.45,;13.72,-43.11,;12.16,-43.12,;11.4,-44.46,;12.18,-45.79,;13.73,-45.79,;11.41,-47.12,;12.18,-48.46,;11.42,-49.79,;9.87,-49.79,;9.11,-48.46,;9.87,-47.13,;7.57,-48.46,;6.54,-49.6,;5.13,-48.97,;5.29,-47.43,;6.8,-47.11,;3.79,-49.74,;3.79,-51.28,;2.46,-52.05,;1.12,-51.28,;1.12,-49.74,;2.46,-48.96,;2.83,-50.3,;1.99,-50.75,)|

BDBM50513587

C(N1CCCCC1)c1cccc(c1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:24.27,(84.64,-21.56,;85.39,-20.24,;86.9,-20.24,;87.65,-18.94,;86.9,-17.62,;85.38,-17.63,;84.62,-18.94,;83.13,-21.56,;82.35,-20.23,;80.8,-20.24,;80.03,-21.58,;80.82,-22.91,;82.36,-22.91,;80.04,-24.24,;80.82,-25.58,;80.05,-26.91,;78.51,-26.91,;77.74,-25.57,;78.5,-24.24,;76.2,-25.58,;75.17,-26.72,;73.76,-26.08,;73.92,-24.55,;75.43,-24.23,;72.42,-26.86,;72.42,-28.4,;71.09,-29.17,;69.76,-28.4,;69.76,-26.86,;71.09,-26.08,;71.47,-27.42,;70.63,-27.87,)|

BDBM50513588

CN1CCN(Cc2ccc(cc2)-c2cccc(c2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:23.25,(66.95,-19.4,;65.44,-19.4,;64.69,-20.71,;63.18,-20.71,;62.42,-19.41,;60.91,-19.42,;60.16,-20.73,;60.94,-22.06,;60.17,-23.4,;58.63,-23.41,;57.84,-22.08,;58.61,-20.74,;57.85,-24.74,;58.63,-26.08,;57.86,-27.4,;56.32,-27.4,;55.55,-26.07,;56.31,-24.74,;54.02,-26.07,;52.99,-27.22,;51.57,-26.58,;51.74,-25.05,;53.25,-24.73,;50.23,-27.36,;50.23,-28.9,;48.91,-29.66,;47.57,-28.9,;47.57,-27.36,;48.91,-26.58,;49.28,-27.91,;48.44,-28.36,;63.16,-18.09,;64.68,-18.09,)|

BDBM50513589

OCc1ccc(cc1F)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:20.22,(83.25,-1.6,;81.71,-1.61,;80.94,-2.95,;81.72,-4.28,;80.95,-5.62,;79.41,-5.63,;78.63,-4.3,;79.39,-2.96,;78.61,-1.63,;78.64,-6.95,;79.42,-8.29,;78.65,-9.62,;77.1,-9.62,;76.34,-8.29,;77.1,-6.96,;74.8,-8.29,;73.78,-9.43,;72.37,-8.8,;72.53,-7.26,;74.04,-6.95,;71.03,-9.57,;71.03,-11.11,;69.7,-11.87,;68.37,-11.11,;68.37,-9.57,;69.7,-8.79,;70.08,-10.13,;69.24,-10.58,)|

BDBM50513581

FCc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(19.27,-35.32,;17.87,-34.7,;16.63,-35.6,;16.79,-37.14,;15.55,-38.05,;14.15,-37.41,;13.98,-35.89,;15.21,-34.98,;12.9,-38.32,;12.9,-39.85,;11.44,-40.33,;10.53,-39.09,;11.44,-37.85,;8.99,-39.09,;7.93,-40.27,;6.48,-39.62,;6.65,-38.04,;8.2,-37.72,;5.09,-40.41,;5.09,-42,;3.72,-42.79,;2.35,-42,;2.35,-40.41,;3.72,-39.61,;4.11,-40.99,;3.25,-41.45,)|

BDBM50513590

FCc1cccc(c1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(85.79,-20.84,;84.55,-21.74,;83.15,-21.12,;82.99,-19.59,;81.57,-18.97,;80.34,-19.87,;80.5,-21.39,;81.91,-22.03,;79.25,-22.3,;79.25,-23.84,;77.79,-24.31,;76.88,-23.07,;77.79,-21.83,;75.35,-23.07,;74.29,-24.26,;72.83,-23.6,;73.01,-22.03,;74.56,-21.7,;71.45,-24.4,;71.45,-25.98,;70.08,-26.77,;68.71,-25.98,;68.71,-24.4,;70.08,-23.6,;70.47,-24.97,;69.6,-25.43,)|

BDBM50513591

Fc1ccc(cn1)-c1csc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:17.19,(86.83,-9.91,;85.59,-9,;85.74,-7.46,;84.5,-6.57,;83.1,-7.19,;82.94,-8.72,;84.18,-9.63,;81.86,-6.29,;81.86,-4.75,;80.4,-4.28,;79.48,-5.52,;80.4,-6.76,;77.95,-5.52,;76.88,-6.71,;75.42,-6.06,;75.6,-4.47,;77.16,-4.15,;74.04,-6.85,;74.04,-8.44,;72.66,-9.24,;71.29,-8.44,;71.29,-6.85,;72.66,-6.05,;73.05,-7.43,;72.18,-7.89,)|

BDBM50513592

OCc1ccc(cc1)-c1csc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(65.38,-9.05,;63.97,-9.68,;62.73,-8.78,;61.32,-9.4,;60.08,-8.5,;60.24,-6.97,;61.64,-6.34,;62.88,-7.24,;59,-6.07,;59,-4.53,;57.54,-4.05,;56.62,-5.3,;57.54,-6.54,;55.08,-5.3,;54.02,-6.49,;52.56,-5.83,;52.73,-4.25,;54.29,-3.93,;51.17,-6.63,;51.17,-8.22,;49.8,-9.01,;48.43,-8.22,;48.43,-6.63,;49.8,-5.83,;50.19,-7.2,;49.32,-7.67,)|

BDBM50513593

COC(=O)c1ccc(cc1F)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:21.23,(20.46,-2.91,;19.22,-3.82,;17.81,-3.2,;17.65,-1.67,;16.57,-4.1,;15.15,-3.48,;13.92,-4.39,;14.08,-5.91,;15.49,-6.55,;16.73,-5.64,;18.14,-6.26,;12.84,-6.82,;12.84,-8.36,;11.37,-8.83,;10.46,-7.59,;11.37,-6.35,;8.92,-7.59,;7.86,-8.78,;6.41,-8.12,;6.58,-6.54,;8.14,-6.22,;5.02,-8.92,;5.02,-10.51,;3.65,-11.3,;2.28,-10.51,;2.28,-8.92,;3.65,-8.12,;4.04,-9.49,;3.17,-9.96,)|

BDBM50513582

Fc1ccc(cn1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:17.19,(85.12,-47.95,;83.88,-48.85,;82.47,-48.23,;81.24,-49.13,;81.41,-50.65,;82.81,-51.28,;84.04,-50.38,;80.16,-51.55,;80.16,-53.09,;78.7,-53.56,;77.79,-52.32,;78.7,-51.08,;76.26,-52.32,;75.21,-53.5,;73.76,-52.85,;73.93,-51.28,;75.48,-50.96,;72.38,-53.64,;72.38,-55.23,;71.01,-56.01,;69.65,-55.23,;69.65,-53.64,;71.01,-52.85,;71.4,-54.21,;70.53,-54.68,)|

BDBM50513594

NCc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(65.48,-48.42,;64.08,-47.8,;62.84,-48.7,;63,-50.24,;61.76,-51.14,;60.36,-50.5,;60.19,-48.98,;61.43,-48.08,;59.11,-51.41,;59.11,-52.95,;57.65,-53.42,;56.74,-52.18,;57.65,-50.94,;55.2,-52.18,;54.14,-53.37,;52.69,-52.72,;52.86,-51.14,;54.42,-50.82,;51.31,-53.51,;51.31,-55.1,;49.94,-55.89,;48.57,-55.1,;48.57,-53.51,;49.94,-52.71,;50.33,-54.08,;49.46,-54.55,)|

BDBM50513595

C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc(s1)-c1cccs1 |r,wU:6.9,(70.65,-36.82,;70.65,-38.41,;72.02,-39.2,;71.54,-37.86,;72.41,-37.39,;72.02,-36.02,;73.4,-36.82,;73.4,-38.41,;74.78,-36.02,;76.24,-36.67,;77.3,-35.49,;76.52,-34.11,;74.96,-34.44,;78.84,-35.49,;79.76,-36.73,;81.22,-36.26,;81.22,-34.72,;79.76,-34.24,;82.46,-33.81,;83.93,-34.28,;84.83,-33.04,;83.92,-31.79,;82.46,-32.27,)|

BDBM50513596

C1COc2cc(ccc2O1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:20.23,(63.51,-30.24,;62.1,-29.62,;60.85,-30.53,;61.02,-32.06,;59.79,-32.96,;59.95,-34.48,;61.36,-35.12,;62.59,-34.21,;62.43,-32.68,;63.67,-31.77,;58.71,-35.39,;58.71,-36.92,;57.25,-37.39,;56.34,-36.16,;57.25,-34.92,;54.81,-36.16,;53.75,-37.34,;52.3,-36.69,;52.47,-35.11,;54.02,-34.79,;50.92,-37.48,;50.92,-39.06,;49.55,-39.85,;48.18,-39.06,;48.18,-37.48,;49.55,-36.68,;49.94,-38.05,;49.07,-38.51,)|

BDBM50513597

C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc(s1)-c1ccccc1 |r,wU:6.9,(70.11,-21.44,;70.11,-23.02,;71.48,-23.81,;71,-22.47,;71.87,-22.01,;71.48,-20.64,;72.85,-21.44,;72.85,-23.02,;74.23,-20.65,;75.68,-21.3,;76.74,-20.12,;75.95,-18.75,;74.4,-19.07,;78.27,-20.12,;79.18,-21.35,;80.64,-20.88,;80.64,-19.35,;79.18,-18.88,;81.88,-18.44,;83.28,-19.08,;84.52,-18.17,;84.36,-16.64,;82.95,-16.02,;81.72,-16.92,)|

BDBM50513598

C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc(cc1)-c1cccs1 |r,wU:6.9,(49.2,-20.58,;49.2,-22.17,;50.58,-22.97,;50.1,-21.62,;50.97,-21.16,;50.58,-19.78,;51.95,-20.58,;51.95,-22.17,;53.34,-19.79,;54.79,-20.44,;55.86,-19.25,;55.07,-17.88,;53.51,-18.2,;57.4,-19.25,;58.17,-20.59,;59.7,-20.59,;60.48,-19.25,;59.7,-17.92,;58.16,-17.92,;62.01,-19.25,;62.91,-20.49,;64.37,-20.01,;64.37,-18.48,;62.91,-18,)|

BDBM50513599

Fc1ccc(cn1)-c1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(43.8,-19.53,;42.26,-19.53,;41.48,-18.2,;39.95,-18.21,;39.19,-19.53,;39.96,-20.87,;41.49,-20.87,;37.65,-19.54,;36.88,-20.87,;35.34,-20.87,;34.58,-19.53,;35.34,-18.21,;36.87,-18.2,;33.04,-19.53,;31.97,-20.72,;30.52,-20.07,;30.69,-18.48,;32.25,-18.16,;29.13,-20.86,;29.13,-22.45,;27.76,-23.25,;26.38,-22.45,;26.38,-20.86,;27.76,-20.06,;28.15,-21.44,;27.28,-21.9,)|

BDBM50513600

Fc1ccc(cn1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(64.23,-1.41,;63.46,-2.74,;64.24,-4.08,;63.47,-5.41,;61.93,-5.41,;61.16,-4.09,;61.92,-2.76,;61.17,-6.74,;61.95,-8.08,;61.18,-9.42,;59.64,-9.42,;58.88,-8.08,;59.64,-6.75,;57.34,-8.08,;56.27,-9.26,;54.81,-8.61,;54.99,-7.03,;56.55,-6.71,;53.43,-9.41,;53.43,-11,;52.05,-11.79,;50.68,-11,;50.68,-9.41,;52.05,-8.61,;52.44,-9.98,;51.57,-10.45,)|

BDBM50513601

OCc1ccc(cc1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.21,(41.9,-1.52,;40.36,-1.53,;39.6,-2.86,;40.37,-4.19,;39.61,-5.53,;38.07,-5.53,;37.29,-4.21,;38.05,-2.87,;37.31,-6.86,;38.08,-8.2,;37.31,-9.53,;35.77,-9.53,;35.01,-8.2,;35.77,-6.87,;33.47,-8.2,;32.4,-9.38,;30.95,-8.73,;31.12,-7.15,;32.68,-6.82,;29.56,-9.52,;29.56,-11.12,;28.19,-11.91,;26.81,-11.12,;26.81,-9.52,;28.19,-8.72,;28.57,-10.1,;27.7,-10.57,)|

BDBM50513602

CN1CCN(Cc2cccc(c2)-c2ccc(s2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:22.24,(22.33,-48.62,;21.08,-49.52,;21.23,-51.05,;19.99,-51.95,;18.59,-51.32,;17.34,-52.23,;15.94,-51.6,;15.78,-50.07,;14.36,-49.44,;13.12,-50.35,;13.29,-51.87,;14.69,-52.5,;12.04,-52.78,;12.04,-54.31,;10.58,-54.78,;9.68,-53.55,;10.58,-52.3,;8.14,-53.55,;7.08,-54.73,;5.62,-54.08,;5.8,-52.5,;7.35,-52.17,;4.24,-54.87,;4.24,-56.46,;2.88,-57.24,;1.51,-56.46,;1.51,-54.87,;2.88,-54.07,;3.27,-55.44,;2.4,-55.9,;18.42,-49.79,;19.67,-48.89,)|

BDBM50513603

C(N1CCOCC1)c1cccc(c1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:23.26,(85.26,-35.75,;86.5,-34.85,;87.91,-35.48,;89.15,-34.58,;89,-33.05,;87.59,-32.42,;86.33,-33.32,;83.85,-35.13,;83.69,-33.59,;82.27,-32.97,;81.04,-33.88,;81.2,-35.4,;82.61,-36.03,;79.96,-36.3,;79.96,-37.84,;78.5,-38.31,;77.59,-37.08,;78.5,-35.83,;76.06,-37.08,;74.99,-38.26,;73.54,-37.6,;73.71,-36.03,;75.27,-35.7,;72.16,-38.4,;72.16,-39.99,;70.79,-40.77,;69.42,-39.99,;69.42,-38.4,;70.79,-37.6,;71.18,-38.97,;70.31,-39.43,)|

BDBM50513604

FC1CCN(Cc2ccc(cc2)-c2ccc(s2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:22.24,(22.52,-35.66,;21.11,-35.03,;19.87,-35.93,;18.47,-35.31,;18.31,-33.78,;16.9,-33.16,;15.66,-34.06,;15.82,-35.6,;14.57,-36.5,;13.17,-35.87,;13,-34.35,;14.24,-33.44,;11.92,-36.77,;11.92,-38.31,;10.47,-38.78,;9.56,-37.55,;10.47,-36.3,;8.02,-37.55,;6.96,-38.73,;5.51,-38.07,;5.68,-36.49,;7.23,-36.17,;4.13,-38.87,;4.13,-40.45,;2.76,-41.24,;1.39,-40.45,;1.39,-38.87,;2.76,-38.07,;3.15,-39.44,;2.28,-39.9,;19.54,-32.86,;20.95,-33.5,)|

BDBM50513605

CN1CCN(Cc2ccc(cc2)-c2ccc(s2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:22.24,(65.26,-20.37,;63.86,-19.74,;62.61,-20.64,;61.21,-20.01,;61.05,-18.49,;59.64,-17.86,;58.4,-18.77,;58.56,-20.3,;57.32,-21.21,;55.91,-20.57,;55.75,-19.05,;56.98,-18.15,;54.67,-21.48,;54.67,-23.01,;53.21,-23.49,;52.3,-22.25,;53.21,-21.01,;50.77,-22.25,;49.7,-23.43,;48.25,-22.78,;48.42,-21.2,;49.98,-20.88,;46.87,-23.58,;46.87,-25.16,;45.5,-25.95,;44.13,-25.16,;44.13,-23.58,;45.5,-22.77,;45.89,-24.14,;45.02,-24.61,;62.29,-17.57,;63.7,-18.2,)|

BDBM50513606

C(N1CCOCC1)c1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:23.26,(37.66,-18.31,;39.07,-18.94,;39.22,-20.46,;40.62,-21.09,;41.87,-20.19,;41.71,-18.65,;40.3,-18.02,;36.42,-19.22,;36.58,-20.75,;35.33,-21.66,;33.93,-21.02,;33.76,-19.5,;35,-18.6,;32.68,-21.93,;32.68,-23.46,;31.22,-23.94,;30.32,-22.7,;31.22,-21.46,;28.78,-22.7,;27.72,-23.88,;26.27,-23.23,;26.44,-21.65,;27.99,-21.33,;24.89,-24.02,;24.89,-25.61,;23.52,-26.4,;22.15,-25.61,;22.15,-24.02,;23.52,-23.22,;23.91,-24.59,;23.04,-25.06,)|

BDBM50513607

FCCOc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:20.22,(88.74,-1.85,;87.33,-1.23,;86.08,-2.14,;84.68,-1.51,;83.43,-2.42,;83.59,-3.95,;82.35,-4.86,;80.94,-4.22,;80.78,-2.7,;82.02,-1.8,;79.7,-5.13,;79.7,-6.66,;78.24,-7.14,;77.33,-5.9,;78.24,-4.66,;75.8,-5.9,;74.73,-7.08,;73.28,-6.43,;73.46,-4.85,;75.01,-4.53,;71.9,-7.23,;71.9,-8.81,;70.53,-9.6,;69.17,-8.81,;69.17,-7.23,;70.53,-6.42,;70.92,-7.79,;70.05,-8.26,)|

BDBM50513608

FCCc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.21,(66.4,-1.58,;65.15,-2.49,;63.74,-1.86,;62.5,-2.77,;62.66,-4.3,;61.42,-5.21,;60.01,-4.57,;59.85,-3.05,;61.08,-2.15,;58.77,-5.48,;58.77,-7.01,;57.31,-7.49,;56.4,-6.25,;57.31,-5.01,;54.87,-6.25,;53.8,-7.43,;52.35,-6.78,;52.52,-5.2,;54.08,-4.88,;50.97,-7.57,;50.97,-9.16,;49.6,-9.95,;48.23,-9.16,;48.23,-7.57,;49.6,-6.77,;49.99,-8.14,;49.12,-8.61,)|

BDBM50513609

COCOCCOc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:23.25,(45.57,-1.61,;44.33,-2.52,;42.92,-1.9,;41.68,-2.8,;40.27,-2.18,;39.02,-3.09,;37.62,-2.46,;36.37,-3.37,;36.53,-4.9,;35.29,-5.81,;33.88,-5.17,;33.72,-3.65,;34.96,-2.75,;32.64,-6.08,;32.64,-7.61,;31.18,-8.09,;30.27,-6.85,;31.18,-5.61,;28.74,-6.85,;27.67,-8.03,;26.22,-7.38,;26.39,-5.8,;27.95,-5.48,;24.84,-8.17,;24.84,-9.76,;23.47,-10.55,;22.11,-9.76,;22.11,-8.17,;23.47,-7.37,;23.86,-8.74,;22.99,-9.21,)|

BDBM50513610

CN1CCN(Cc2cccc(c2)-c2cccc(c2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:23.25,(40.43,-40.29,;39.68,-41.6,;40.44,-42.91,;39.68,-44.21,;38.17,-44.22,;37.42,-45.53,;35.91,-45.54,;35.13,-44.2,;33.58,-44.21,;32.82,-45.55,;33.6,-46.88,;35.14,-46.88,;32.83,-48.21,;33.6,-49.55,;32.83,-50.88,;31.29,-50.88,;30.52,-49.55,;31.29,-48.21,;28.99,-49.55,;27.96,-50.69,;26.55,-50.06,;26.71,-48.52,;28.22,-48.2,;25.21,-50.83,;25.21,-52.37,;23.88,-53.14,;22.54,-52.37,;22.54,-50.83,;23.88,-50.05,;24.25,-51.39,;23.41,-51.84,;37.41,-42.91,;38.16,-41.6,)|

BDBM50513611

OCc1ccc(s1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:17.19,(64.09,-16.74,;62.59,-17.06,;62.11,-18.52,;63.02,-19.77,;62.12,-21.01,;60.65,-20.54,;60.65,-19,;59.41,-21.45,;59.41,-22.99,;57.95,-23.46,;57.03,-22.22,;57.95,-20.97,;55.49,-22.22,;54.43,-23.41,;52.97,-22.75,;53.14,-21.17,;54.7,-20.85,;51.59,-23.55,;51.59,-25.14,;50.21,-25.93,;48.84,-25.14,;48.84,-23.55,;50.21,-22.75,;50.6,-24.12,;49.73,-24.59,)|

BDBM50513612

OCc1cccc(c1)-c1csc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(42.32,-8.33,;41.07,-7.43,;39.67,-8.06,;39.51,-9.6,;38.1,-10.22,;36.86,-9.32,;37.03,-7.78,;38.42,-7.16,;35.79,-6.88,;35.79,-5.34,;34.32,-4.87,;33.41,-6.11,;34.32,-7.36,;31.87,-6.11,;30.8,-7.3,;29.35,-6.65,;29.52,-5.06,;31.08,-4.74,;27.96,-7.44,;27.96,-9.04,;26.59,-9.83,;25.21,-9.04,;25.21,-7.44,;26.59,-6.64,;26.97,-8.02,;26.1,-8.48,)|

BDBM50513613

OCc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(44.07,-47.71,;42.67,-47.09,;41.43,-48,;41.59,-49.53,;40.35,-50.44,;38.94,-49.8,;38.78,-48.28,;40.01,-47.37,;37.7,-50.71,;37.7,-52.24,;36.24,-52.72,;35.32,-51.48,;36.24,-50.24,;33.79,-51.48,;32.73,-52.66,;31.27,-52.01,;31.45,-50.43,;33,-50.11,;29.89,-52.8,;29.89,-54.39,;28.52,-55.18,;27.15,-54.39,;27.15,-52.8,;28.52,-52.01,;28.91,-53.38,;28.04,-53.84,)|

BDBM50513614

C1Cc2cc(ccc2O1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.22,(40.12,-30.17,;38.61,-30.5,;38.46,-32.03,;37.23,-32.94,;37.4,-34.45,;38.8,-35.09,;40.03,-34.18,;39.87,-32.65,;40.9,-31.5,;36.15,-35.36,;36.15,-36.89,;34.7,-37.36,;33.79,-36.13,;34.7,-34.89,;32.26,-36.13,;31.2,-37.31,;29.75,-36.66,;29.92,-35.08,;31.47,-34.76,;28.37,-37.45,;28.37,-39.03,;27,-39.82,;25.64,-39.03,;25.64,-37.45,;27,-36.65,;27.39,-38.02,;26.53,-38.48,)|

BDBM50513615

OCc1cccc(c1)-c1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.21,(87.15,-3.96,;85.61,-3.97,;84.85,-5.31,;85.63,-6.64,;84.86,-7.98,;83.32,-7.98,;82.55,-6.64,;83.31,-5.31,;81.02,-6.65,;80.25,-7.98,;78.71,-7.98,;77.94,-6.64,;78.7,-5.31,;80.24,-5.31,;76.4,-6.64,;75.34,-7.83,;73.88,-7.18,;74.05,-5.59,;75.61,-5.27,;72.49,-7.97,;72.49,-9.56,;71.12,-10.36,;69.74,-9.56,;69.74,-7.97,;71.12,-7.17,;71.51,-8.55,;70.64,-9.01,)|

BDBM50513616

OCc1cccc(c1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.21,(19.93,-4.13,;19.15,-2.8,;17.62,-2.8,;16.84,-1.47,;15.29,-1.48,;14.54,-2.82,;15.31,-4.14,;16.85,-4.14,;14.55,-5.47,;15.33,-6.81,;14.56,-8.14,;13.02,-8.14,;12.25,-6.81,;13.01,-5.48,;10.71,-6.81,;9.65,-7.99,;8.19,-7.34,;8.36,-5.76,;9.92,-5.43,;6.8,-8.13,;6.8,-9.73,;5.43,-10.52,;4.06,-9.73,;4.06,-8.13,;5.43,-7.33,;5.82,-8.71,;4.95,-9.18,)|

BDBM50513617

OC1CCN(Cc2ccc(cc2)-c2ccc(s2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:22.24,(89,-20.4,;87.6,-19.77,;86.35,-20.67,;84.95,-20.05,;84.79,-18.52,;83.38,-17.9,;82.14,-18.81,;82.3,-20.34,;81.06,-21.24,;79.65,-20.61,;79.49,-19.09,;80.72,-18.18,;78.41,-21.52,;78.41,-23.05,;76.95,-23.52,;76.04,-22.29,;76.95,-21.04,;74.51,-22.29,;73.44,-23.47,;71.99,-22.82,;72.16,-21.24,;73.72,-20.91,;70.61,-23.61,;70.61,-25.2,;69.24,-25.98,;67.88,-25.2,;67.88,-23.61,;69.24,-22.81,;69.63,-24.18,;68.76,-24.64,;86.03,-17.61,;87.44,-18.24,)|

BDBM50513583

C(N1CCCCC1)c1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:23.26,(16.45,-18.43,;17.86,-19.05,;18.02,-20.58,;19.42,-21.2,;20.67,-20.3,;20.51,-18.77,;19.1,-18.14,;15.21,-19.34,;15.37,-20.87,;14.12,-21.78,;12.72,-21.14,;12.55,-19.62,;13.79,-18.71,;11.47,-22.05,;11.47,-23.58,;10.02,-24.05,;9.11,-22.82,;10.02,-21.57,;7.57,-22.82,;6.51,-24,;5.06,-23.35,;5.23,-21.77,;6.78,-21.45,;3.68,-24.14,;3.68,-25.73,;2.31,-26.51,;.94,-25.73,;.94,-24.14,;2.31,-23.34,;2.7,-24.71,;1.83,-25.18,)|

BDBM50513618

C(N1CCOCC1)c1ccc(cc1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:24.27,(38.95,-18.33,;40.46,-18.33,;41.22,-19.63,;42.73,-19.63,;43.48,-18.32,;42.72,-17.01,;41.2,-17.01,;38.2,-19.65,;38.98,-20.98,;38.21,-22.32,;36.67,-22.33,;35.88,-20.99,;36.65,-19.66,;35.89,-23.65,;36.67,-24.99,;35.9,-26.32,;34.36,-26.32,;33.59,-24.99,;34.35,-23.66,;32.06,-24.99,;31.02,-26.14,;29.61,-25.5,;29.78,-23.97,;31.29,-23.65,;28.27,-26.27,;28.27,-27.82,;26.95,-28.58,;25.61,-27.82,;25.61,-26.27,;26.95,-25.49,;27.32,-26.83,;26.48,-27.28,)|

BDBM50513619

OCc1ccc(cc1F)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.21,(65.39,-44.8,;63.98,-44.18,;62.74,-45.08,;62.9,-46.62,;61.66,-47.52,;60.25,-46.89,;60.08,-45.37,;61.32,-44.46,;61.16,-42.93,;59.01,-47.79,;59.01,-49.33,;57.55,-49.8,;56.64,-48.57,;57.55,-47.32,;55.11,-48.57,;54.04,-49.75,;52.59,-49.09,;52.76,-47.52,;54.32,-47.19,;51.21,-49.89,;51.21,-51.47,;49.84,-52.26,;48.47,-51.47,;48.47,-49.89,;49.84,-49.09,;50.23,-50.46,;49.36,-50.92,)|

BDBM50513620

OCc1ccc(s1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(19.15,-17.53,;17.9,-16.63,;16.5,-17.26,;15.16,-16.5,;14.02,-17.53,;14.65,-18.93,;16.18,-18.77,;13.89,-20.27,;14.67,-21.61,;13.9,-22.95,;12.36,-22.95,;11.59,-21.61,;12.35,-20.28,;10.05,-21.61,;8.99,-22.79,;7.53,-22.14,;7.7,-20.56,;9.26,-20.23,;6.14,-22.94,;6.14,-24.53,;4.77,-25.32,;3.4,-24.53,;3.4,-22.94,;4.77,-22.14,;5.16,-23.51,;4.29,-23.98,)|

BDBM50513621

C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc(s1)-c1ccco1 |r,wU:6.9,(3.72,-37.86,;3.72,-39.46,;5.1,-40.25,;4.61,-38.91,;5.48,-38.44,;5.1,-37.06,;6.47,-37.86,;6.47,-39.46,;7.86,-37.07,;9.31,-37.72,;10.38,-36.54,;9.59,-35.16,;8.03,-35.49,;11.92,-36.54,;12.83,-37.78,;14.3,-37.3,;14.3,-35.76,;12.83,-35.29,;15.54,-34.86,;17,-35.33,;17.9,-34.08,;17,-32.84,;15.54,-33.32,)|

BDBM50513622

C(N1CCCCC1)c1cccc(c1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:23.26,(64.17,-37.09,;65.42,-36.19,;66.82,-36.81,;68.06,-35.92,;67.91,-34.38,;66.5,-33.75,;65.25,-34.66,;62.76,-36.46,;62.6,-34.93,;61.19,-34.31,;59.95,-35.21,;60.11,-36.73,;61.52,-37.37,;58.87,-37.64,;58.87,-39.17,;57.41,-39.65,;56.5,-38.41,;57.41,-37.17,;54.97,-38.41,;53.9,-39.59,;52.45,-38.94,;52.63,-37.36,;54.18,-37.04,;51.07,-39.73,;51.07,-41.32,;49.7,-42.11,;48.34,-41.32,;48.34,-39.73,;49.7,-38.93,;50.09,-40.3,;49.22,-40.77,)|

BDBM50514307

CCC(=O)c1sc(c(C)c1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1

BDBM50250187

CCC(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50514668

[H][C@]12CSSC[C@H](NC(=O)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CCCC(=O)NCCCCC(NC(=O)CCCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(=O)N[C@H]5CSSC[C@]6([H])NC(=O)[C@H](C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]7CCCN7C(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC6=O)C(C)C)C(N)=O)NC5=O)nn4)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)nn3)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)C(C)C)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|

BDBM50445329

C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2 |r,wU:65.68,80.84,1.0,39.39,28.28,wD:10.10,19.18,59.62,76.79,5.94,24.55,(35.13,-22.24,;33.59,-22.21,;32.85,-20.87,;33.65,-19.55,;35.17,-19.58,;32.9,-18.21,;31.36,-18.18,;30.57,-19.5,;15.44,-12.7,;16.79,-10.97,;16.78,-9.44,;15.44,-8.69,;14.12,-9.46,;14.14,-11,;12.78,-8.7,;11.45,-9.48,;18.11,-8.65,;18.1,-7.11,;19.45,-9.41,;19.5,-10.96,;18.18,-11.74,;18.2,-13.29,;23.43,-23.77,;24.75,-24.55,;24.72,-26.1,;26.05,-26.89,;27.39,-26.14,;27.41,-24.59,;28.72,-26.93,;28.7,-28.46,;27.35,-29.21,;27.33,-30.75,;25.99,-31.5,;25.97,-33.04,;27.29,-33.82,;24.63,-33.8,;30.06,-26.18,;31.38,-26.96,;31.36,-28.5,;32.74,-26.19,;33.8,-27.31,;35.29,-26.94,;35.88,-25.53,;37.41,-25.64,;37.78,-27.14,;39.13,-27.86,;39.17,-29.39,;37.86,-30.21,;36.52,-29.47,;36.48,-27.94,;33.54,-24.89,;32.8,-23.55,;31.25,-23.52,;23.39,-26.85,;22.06,-26.06,;23.36,-28.38,;20.95,-11.55,;21.14,-13.08,;22.18,-10.62,;23.6,-11.21,;23.79,-12.74,;25.21,-13.33,;24.82,-10.28,;24.63,-8.75,;26.24,-10.88,;27.46,-9.94,;27.27,-8.41,;28.48,-7.48,;28.29,-5.95,;29.91,-8.07,;28.89,-10.53,;30.11,-9.6,;29.08,-12.06,;27.95,-13.3,;28.78,-14.76,;30.42,-14.43,;30.34,-12.88,;31.67,-12.12,;31.67,-10.57,;32.99,-12.88,;33.75,-14.22,;35.28,-14.25,;36.03,-15.61,;37.56,-15.63,;38.31,-16.97,;39.85,-17,;40.63,-15.69,;40.6,-18.35,;32.95,-15.55,;31.41,-15.52,;33.69,-16.89,)|

BDBM50445326

CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|

BDBM50514669

[H][C@]12CSSC[C@H](NC(=O)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CCCC(=O)NCCCCC(NC(=O)CCCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(=O)N[C@H]5CSSC[C@]6([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]7CCCN7C(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc7ccc(O)cc7)NC(=O)[C@H](CC(N)=O)NC6=O)[C@@H](C)CC)C(N)=O)NC5=O)nn4)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)nn3)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)CC)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

BDBM50445324

[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]3([H])CCCN3C(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)[C@@H](C)CC)C(N)=O |r,c:60,82,t:58,77,79|

BDBM50461915

NCC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC1=O |r|

BDBM50032829

[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

BDBM50514670

[H][C@]12CSSC[C@H](NC(=O)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CCCC(=O)NCCCCC(NC(=O)CCCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(=O)N[C@H]5CSSC[C@]6([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc7ccc(O)cc7)NC(=O)[C@H](CCCNC(N)=N)NC6=O)C(N)=O)NC5=O)nn4)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)nn3)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

BDBM50515320

Clc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:13:15:21:18|

BDBM50515321

O=C(N1CCc2ccccc2C1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:16:18:24:21|

BDBM50515329

O=C(Nc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:13:15:21:18|

BDBM50515323

O=C(NCc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:14:16:22:19|

BDBM50515330

CCc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:14:16:22:19|

BDBM50515331

COc1cc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc(OC)c1 |TLB:12:14:20:17|

BDBM50515332

COc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1OC |TLB:13:15:21:18|

BDBM50515324

Clc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17|

BDBM50515325

Fc1ccccc1NC(=O)c1cncc(c1)N1CC2CC(C1)N2 |TLB:14:16:22:19|

BDBM50515333

Fc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17|

BDBM50515328

Ic1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17|

BDBM50515334

O=C(N1CCCc2ccccc12)c1cncc(c1)N1CC2CC(C1)N2 |TLB:16:18:24:21|

BDBM50515326

Fc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:13:15:21:18|

BDBM50515335

COc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:14:16:22:19|

BDBM50515322

O=C(Nc1ccc2OCOc2c1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:16:18:24:21|

BDBM50515327

Fc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c(F)c1 |TLB:12:14:20:17|

BDBM50516168

COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C

BDBM50516169

COc1ccc(Cl)cc1NC[C@H]1[C@H](c2ccc(cc2)S(N)(=O)=O)C1(C)C |r|

BDBM50516170

COc1ccc(Cl)cc1NC[C@@H]1[C@@H](c2ccc(cc2)S(N)(=O)=O)C1(C)C |r|

BDBM50516308

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|

BDBM50516329

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCC(O)=O)NC1=O)[C@@H](C)CC)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|

BDBM50516325

CCCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|

BDBM50516307

CCCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCC(O)=O)NC1=O)[C@@H](C)CC)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|

BDBM50520476

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

BDBM50520477

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50520485

C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN |r|

BDBM50520486

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

BDBM50520488

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

BDBM50520479

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O |r|

BDBM50520489

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O |r|

BDBM50520480

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O |r|

BDBM50520490

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O |r|

BDBM50520481

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O |r|

BDBM50520494

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

BDBM50520493

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O |r|

BDBM50520492

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O |r|

BDBM50520487

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50520491

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O |r|

BDBM50393255

c1cc2cc(sc2c(c1)Cl)C(=O)N[C@H]3CN4CCC3CC4

BDBM50520725

Cc1ccc(cc1)-c1ccc(O[C@H]2CN3CCC2CC3)cn1 |r,wU:12.12,(68.2,-26.02,;66.86,-25.25,;65.53,-26.02,;64.2,-25.25,;64.2,-23.71,;65.53,-22.94,;66.86,-23.7,;62.87,-22.94,;62.87,-21.39,;61.54,-20.62,;60.22,-21.39,;58.88,-20.62,;57.54,-21.38,;57.54,-22.92,;56.21,-23.68,;54.89,-22.92,;54.89,-21.38,;56.21,-20.6,;57.04,-22.14,;55.82,-22.37,;60.21,-22.93,;61.53,-23.7,)|

BDBM50520722

Clc1ccc(C[C@@]2(COc3cccnc3)CCCNC2)cc1Cl |r|

BDBM50061564

COc1ccc(c(c1)OC)\C=C\2/CCCN=C2c3cccnc3

BDBM50522743

CSc1ccc(cc1)-c1cnc(N)c(c1)C(=O)Nc1c(C)cccc1Cl

BDBM50522744

Cc1cccc(Cl)c1NC(=O)c1cc(cnc1N)-c1ccc(F)c(Cl)c1

BDBM50522745

Cc1ccc(cc1F)-c1cnc(N)c(c1)C(=O)Nc1c(C)cccc1Cl

BDBM50522746

COc1ccccc1-c1cnc(N)c(c1)C(=O)Nc1c(C)cccc1Cl

BDBM50522747

Cc1ccc(cc1)-c1cncc(c1)C(=O)Nc1c(C)cccc1Cl

BDBM50522748

Cc1cc(ccc1F)-c1cnc(N)c(c1)C(=O)Nc1c(C)cccc1Cl

BDBM50522749

Cc1cccc(Cl)c1NC(=O)c1cc(cnc1N)-c1ccc(F)cc1

BDBM50522750

Cc1ccc(cc1)-c1cnc(N)c(c1)C(=O)Nc1c(C)cccc1Cl

BDBM50522751

CCc1ccc(cc1)-c1cnc(N)c(c1)C(=O)Nc1c(C)cccc1Cl

BDBM50522752

COc1ccc(cc1)-c1cnc(N)c(c1)C(=O)Nc1c(C)cccc1Cl

C1CCC(NC1)c1cccnc1

C[N+](C)(C)C

C1CNC(C1)c1cccnc1

CN1CCCCC1c1cccnc1

N#Cc1ccc(cc1)-c1cc(\C=C2/CN3CCC2CC3)on1 |(17.18,-15.18,;15.63,-15.18,;14.07,-15.18,;13.29,-16.5,;11.75,-16.48,;11,-15.15,;11.78,-13.82,;13.3,-13.82,;9.48,-15.14,;8.57,-13.89,;7.11,-14.36,;5.77,-13.56,;4.39,-14.34,;4.39,-15.86,;3.06,-16.64,;1.75,-15.86,;1.75,-14.34,;3.06,-13.56,;2.31,-15.27,;3.8,-14.86,;7.1,-15.89,;8.56,-16.37,)|

BDBM50081733

Cc1cc(\C=C2/CN3CCC2CC3)on1 |THB:4:5:11.12:9.8,(26.44,-10.99,;26.13,-9.47,;24.73,-8.83,;24.91,-7.3,;23.77,-6.26,;22.3,-6.71,;22.6,-8.11,;21.23,-7.48,;19.68,-8.13,;19.47,-6.75,;20.96,-6.11,;21.02,-4.47,;21.48,-5.59,;26.43,-6.99,;27.19,-8.35,)|

BDBM50081737

Oc1ccc(cc1)-c1cc(\C=C2\CN3CCC2CC3)on1 |(34.21,-8.55,;35.16,-9.76,;36.68,-9.57,;37.62,-10.79,;37.04,-12.21,;35.52,-12.42,;34.58,-11.19,;37.97,-13.42,;37.55,-14.88,;38.82,-15.76,;38.86,-17.31,;37.49,-18.09,;37.49,-19.61,;36.16,-20.39,;34.84,-19.61,;34.84,-18.09,;36.16,-17.31,;35.42,-19.02,;36.9,-18.61,;40.02,-14.82,;39.5,-13.38,)|

BDBM50081735

N#Cc1ccc(cc1)-c1cc(\C=C2\CN3CCC2CC3)on1 |(33.45,-7.21,;34.25,-8.56,;35.2,-9.77,;36.73,-9.58,;37.67,-10.8,;37.08,-12.23,;35.56,-12.43,;34.62,-11.2,;38.01,-13.44,;37.59,-14.9,;38.87,-15.77,;38.9,-17.33,;37.54,-18.11,;37.54,-19.63,;36.2,-20.41,;34.88,-19.63,;34.88,-18.11,;36.2,-17.33,;35.46,-19.04,;36.94,-18.63,;40.07,-14.83,;39.55,-13.39,)|

BDBM50528719

Cc1ccc2c(ccc3cc(cn23)C(=O)N[C@H]2CN3CCC2CC3)c1 |r,wD:16.17,(26.67,-22.08,;27.98,-21.35,;29.3,-22.14,;30.65,-21.38,;30.65,-19.83,;29.32,-19.06,;29.33,-17.52,;30.67,-16.76,;32,-17.54,;33.47,-17.08,;34.36,-18.33,;33.44,-19.57,;31.98,-19.08,;35.9,-18.35,;36.69,-17.03,;36.66,-19.7,;38.19,-19.72,;38.94,-21.07,;40.48,-21.09,;41.27,-19.77,;40.52,-18.43,;38.98,-18.41,;39.18,-19.72,;40.23,-19.88,;27.99,-19.81,)|

BDBM50528720

Oc1ccc2c(ccc3cc(cn23)C(=O)N[C@H]2CN3CCC2CC3)c1 |r,wD:16.17,(5.59,-22.6,;6.9,-21.86,;8.22,-22.65,;9.57,-21.89,;9.57,-20.35,;8.24,-19.57,;8.25,-18.04,;9.59,-17.27,;10.92,-18.05,;12.39,-17.59,;13.28,-18.85,;12.36,-20.08,;10.9,-19.59,;14.82,-18.87,;15.61,-17.55,;15.58,-20.21,;17.12,-20.23,;17.86,-21.58,;19.4,-21.6,;20.19,-20.29,;19.44,-18.95,;17.9,-18.92,;18.1,-20.24,;19.16,-20.4,;6.91,-20.33,)|

BDBM50528721

Fc1ccc2c(ccc3cc(cn23)C(=O)N[C@H]2CN3CCC2CC3)c1 |r,wD:16.17,(26.18,-10.09,;27.49,-9.36,;28.81,-10.15,;30.15,-9.39,;30.16,-7.84,;28.83,-7.07,;28.84,-5.53,;30.18,-4.77,;31.51,-5.55,;32.98,-5.09,;33.87,-6.34,;32.95,-7.58,;31.49,-7.09,;35.41,-6.36,;36.2,-5.04,;36.17,-7.71,;37.7,-7.73,;38.45,-9.08,;39.99,-9.1,;40.77,-7.78,;40.03,-6.44,;38.49,-6.42,;38.69,-7.73,;39.74,-7.89,;27.5,-7.82,)|

BDBM50528722

O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3ccccc3n2c1 |r,wD:3.2,(16.19,-4.96,;15.4,-6.28,;16.16,-7.62,;17.7,-7.64,;18.44,-8.99,;19.98,-9.02,;20.77,-7.7,;20.02,-6.36,;18.48,-6.33,;18.69,-7.65,;19.74,-7.81,;13.87,-6.26,;12.98,-5,;11.5,-5.47,;10.17,-4.68,;8.83,-5.45,;8.83,-6.98,;7.49,-7.74,;7.48,-9.27,;8.81,-10.06,;10.15,-9.3,;10.16,-7.76,;11.49,-7.01,;12.95,-7.49,)|

BDBM50528723

O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(OCC#C)ccc3n2c1 |r,wD:3.2,(15.91,-40.66,;15.12,-41.98,;15.87,-43.32,;17.41,-43.34,;18.16,-44.69,;19.7,-44.72,;20.49,-43.4,;19.74,-42.06,;18.2,-42.03,;18.4,-43.35,;19.45,-43.51,;13.58,-41.96,;12.69,-40.7,;11.21,-41.16,;9.88,-40.38,;8.54,-41.15,;8.53,-42.68,;7.2,-43.44,;7.18,-44.97,;5.88,-45.71,;4.59,-44.94,;4.6,-43.44,;4.61,-41.94,;8.51,-45.76,;9.86,-45,;9.86,-43.46,;11.19,-42.7,;12.66,-43.19,)|

BDBM50528724

Cc1ccccc1-c1ccc2c(ccc3cc(cn23)C(=O)N[C@H]2CN3CCC2CC3)c1 |r,wD:22.24,(55.7,-18.01,;55.68,-19.52,;54.37,-20.25,;54.35,-21.76,;55.66,-22.53,;56.97,-21.79,;56.98,-20.29,;58.29,-19.55,;59.62,-20.34,;60.97,-19.58,;60.97,-18.03,;59.64,-17.25,;59.64,-15.71,;60.99,-14.94,;62.33,-15.73,;63.8,-15.27,;64.7,-16.53,;63.77,-17.77,;62.31,-17.27,;66.24,-16.55,;67.03,-15.22,;67,-17.9,;68.54,-17.91,;69.29,-19.27,;70.84,-19.29,;71.63,-17.97,;70.88,-16.62,;69.33,-16.6,;69.53,-17.92,;70.59,-18.08,;58.3,-18.01,)|

BDBM50382730

[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]([#6])([#8])[#6@H]-1-[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-1 |r,c:13|

BDBM50530216

[H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N)c1ccc(Cl)nc1 |r,TLB:9:8:2.3:6,THB:10:7:2.3:6|

BDBM50530215

[H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2NC)c1cccnc1 |r,TLB:9:8:2.3:6,THB:11:7:2.3:6|

BDBM50530217

[H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N)c1cccnc1 |r,TLB:9:8:2.3:6,THB:10:7:2.3:6|

BDBM50530218

[H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N(C)C)c1ccc(Cl)nc1 |r,TLB:9:8:2.3:6,THB:12:7:2.3:6|

BDBM50530219

[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@]13[H])OC |r,TLB:2:3:50:21.18,27:21:50:10.5.3,28:27:23:16.18,10:16:46.47.27:23,THB:8:7:3.2:10.13.12,52:24:50.46.47:21,19:18:50:10.5.3,19:18:46.47.27:23,47:50:21.18:10.5.3,11:10:50:21.18,26:27:23:16.18,24:23:46.47.27:16.18,48:47:23:16.18|

BDBM50530220

[H][C@]12CC[C@]([H])(C1)[C@H]([C@@H]2N(C)C)c1ccc(Cl)nc1 |r,TLB:12:7:3.2:6,THB:9:8:3.2:6|

BDBM50530221

[H][C@]12CC[C@]([H])(C1)[C@H]([C@@H]2N(C)C)c1cccnc1 |r,TLB:12:7:3.2:6,THB:9:8:3.2:6|

BDBM50530222

[H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2NC)c1ccc(Cl)nc1 |r,TLB:9:8:2.3:6,THB:11:7:2.3:6|

BDBM50530223

[H][C@]12CC[C@]([H])(C1)[C@H]([C@@H]2NC)c1cccnc1 |r,TLB:11:7:3.2:6,THB:9:8:3.2:6|

BDBM50530224

[H][C@]12CC[C@]([H])(C1)[C@H]([C@@H]2N)c1ccc(Cl)nc1 |r,TLB:10:7:3.2:6,THB:9:8:3.2:6|

BDBM50530225

[H][C@]12CC[C@]([H])(C1)[C@H]([C@@H]2N)c1cccnc1 |r,TLB:10:7:3.2:6,THB:9:8:3.2:6|

BDBM50530226

[H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N(C)C)c1cccnc1 |r,TLB:9:8:2.3:6,THB:12:7:2.3:6|

BDBM50530960

COc1ccccc1-c1cc(ncn1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530961

COc1cccc(OC)c1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530962

COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530963

Nc1nc(cc(n1)-c1ccccc1Cl)N(Cc1ccccn1)Cc1ccccn1

BDBM50530964

COc1ccccc1-c1cc(nc(n1)S(C)(=O)=O)N(Cc1ccccn1)Cc1ccccn1

BDBM50530965

COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530966

Nc1nc(cc(n1)-c1ccsc1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530967

COc1ccccc1-c1cc(nc(SC)n1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530968

CSc1nc(cc(n1)-c1ccsc1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530969

COc1ccc(c(F)c1)-c1cc(ncn1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530970

COc1ccccc1-c1cc(nc(n1)C(F)(F)F)N(Cc1ccccn1)Cc1ccccn1

BDBM50530971

FC(F)(F)c1nc(cc(n1)-c1ccsc1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530972

COc1ccccc1-c1cc(nc(n1)[S+](C)[O-])N(Cc1ccccn1)Cc1ccccn1

BDBM50530973

COc1cc(F)ccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530974

CC(C)Oc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530975

CC(C)COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530976

COc1ccc(c(OC)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530977

Fc1ccccc1-c1cc(ncn1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530978

C(N(Cc1ccccn1)c1cc(ncn1)N1CCOCC1)c1ccccn1

BDBM50530979

CSc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530980

COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccc1)Cc1ccccn1

BDBM50530981

COc1ncccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1

BDBM50530982

C(N(Cc1ccccn1)c1cc(ncn1)-c1ccsc1)c1ccccn1

BDBM50534282

FCCOc1cccc(c1)-c1cn(nn1)C1CN2CCC1CC2 |THB:12:15:18.19:22.21,(16.33,-30.62,;14.79,-30.61,;14.02,-31.94,;12.48,-31.93,;11.71,-30.6,;12.49,-29.27,;11.72,-27.92,;10.18,-27.92,;9.41,-29.25,;10.17,-30.59,;7.87,-29.25,;6.83,-30.38,;5.43,-29.73,;5.61,-28.2,;7.12,-27.9,;4.08,-30.48,;3.88,-31.86,;2.35,-31.21,;.98,-31.84,;1.26,-30.44,;2.61,-29.84,;2.55,-28.2,;2.09,-29.31,)|

BDBM50534284

C(Oc1cccc(c1)-c1cn(nn1)C1CN2CCC1CC2)c1ccccc1 |THB:10:13:16.17:20.19,(13.19,-47.14,;11.65,-47.14,;10.89,-45.8,;11.66,-44.46,;10.89,-43.12,;9.35,-43.12,;8.59,-44.45,;9.35,-45.79,;7.04,-44.45,;6,-45.58,;4.6,-44.93,;4.78,-43.4,;6.29,-43.1,;3.25,-45.68,;3.05,-47.07,;1.52,-46.41,;.15,-47.04,;.43,-45.64,;1.78,-45.04,;1.71,-43.4,;1.26,-44.51,;13.95,-48.48,;13.17,-49.81,;13.94,-51.14,;15.48,-51.15,;16.26,-49.81,;15.49,-48.48,)|

BDBM50534287

CN1C2CCCC1CC(C2)Nc1ccccc1Br |TLB:0:1:7.9.8:3.5.4,10:8:1:3.5.4|

BDBM50393252

C1CN2CCC1[C@H](C2)Oc1ccc(nn1)-c1ccc2[nH]ccc2c1 |r,wU:6.9,(10.31,-30.96,;10.31,-32.5,;11.64,-33.26,;10.9,-31.9,;12.4,-31.51,;11.64,-30.18,;12.97,-30.96,;12.97,-32.5,;14.31,-30.2,;15.64,-30.97,;16.97,-30.21,;18.3,-30.98,;18.3,-32.52,;16.96,-33.29,;15.63,-32.51,;19.62,-33.3,;19.61,-34.84,;20.94,-35.61,;22.28,-34.84,;23.75,-35.31,;24.65,-34.07,;23.75,-32.82,;22.28,-33.3,;20.95,-32.53,)|

BDBM50534291

Fc1cccc(c1)-c1cn(nn1)C1CN2CCC1CC2 |THB:9:12:15.16:19.18,(13.69,-24.34,;12.93,-23,;13.71,-21.67,;12.93,-20.33,;11.4,-20.33,;10.63,-21.66,;11.39,-22.99,;9.09,-21.65,;8.04,-22.78,;6.64,-22.13,;6.82,-20.6,;8.34,-20.3,;5.29,-22.88,;5.09,-24.27,;3.56,-23.61,;2.19,-24.24,;2.47,-22.85,;3.82,-22.24,;3.75,-20.6,;3.3,-21.71,)|

BDBM50534292

Fc1ccc(cc1)-c1cn(nn1)C1CN2CCC1CC2 |THB:9:12:15.16:19.18,(14.66,-13.26,;13.12,-13.25,;12.34,-14.58,;10.8,-14.58,;10.04,-13.24,;10.81,-11.91,;12.35,-11.91,;8.5,-13.23,;7.45,-14.36,;6.05,-13.72,;6.24,-12.19,;7.75,-11.89,;4.71,-14.46,;4.51,-15.85,;2.97,-15.19,;1.6,-15.82,;1.89,-14.43,;3.23,-13.82,;3.17,-12.19,;2.72,-13.3,)|

BDBM50534293

[H][C@@]12C[C@@]([H])(CNC1)c1cc(ccc21)C(F)(F)F |r|

BDBM50534294

O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccccc12 |r,wU:3.2,THB:2:3:6.7:10.9,(32.16,-42.25,;32.18,-40.71,;30.86,-39.92,;29.51,-40.67,;29.31,-42.06,;27.78,-41.4,;26.41,-42.03,;26.69,-40.64,;28.04,-40.03,;27.97,-38.39,;27.52,-39.5,;33.53,-39.96,;33.71,-38.42,;35.22,-38.12,;35.98,-39.47,;37.47,-39.81,;37.93,-41.27,;36.88,-42.41,;35.38,-42.06,;34.92,-40.59,)|

BDBM92878

O=C(N[C@@H]1C2CCN(CC2)C1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,(7.05,2.04,;7.05,3.58,;5.72,4.35,;4.39,3.58,;3.05,4.35,;1.72,3.58,;1.72,2.04,;3.05,1.27,;2.83,2.56,;3.77,3.23,;4.39,2.04,;5.72,1.27,;5.72,-.27,;4.39,-1.04,;4.39,-2.58,;5.72,-3.35,;7.05,-2.58,;7.05,-1.04,;8.39,4.35,;9.53,3.31,;10.87,4.08,;12.33,3.61,;13.47,4.64,;13.15,6.15,;11.69,6.62,;10.55,5.59,;9.01,5.75,)|

BDBM50534286

Oc1ccc(cc1)-c1cn(nn1)[C@@H]1CN2CCC1CC2 |r,wD:12.13,THB:9:12:15.16:19.18,(23.93,-41.63,;22.38,-41.63,;21.61,-42.96,;20.07,-42.95,;19.31,-41.61,;20.07,-40.28,;21.61,-40.28,;17.76,-41.61,;16.72,-42.74,;15.32,-42.09,;15.5,-40.56,;17.01,-40.26,;13.97,-42.84,;13.77,-44.23,;12.24,-43.57,;10.87,-44.2,;11.15,-42.81,;12.5,-42.2,;12.43,-40.56,;11.98,-41.67,)|

BDBM50534288

Oc1ccc(cc1)-c1cn(nn1)C1CN2CCC1CC2 |THB:9:12:15.16:19.18,(23.93,-41.63,;22.38,-41.63,;21.61,-42.96,;20.07,-42.95,;19.31,-41.61,;20.07,-40.28,;21.61,-40.28,;17.76,-41.61,;16.72,-42.74,;15.32,-42.09,;15.5,-40.56,;17.01,-40.26,;13.97,-42.84,;13.77,-44.23,;12.24,-43.57,;10.87,-44.2,;11.15,-42.81,;12.5,-42.2,;12.43,-40.56,;11.98,-41.67,)|

BDBM50534300

Fc1ccc(COc2cccc(c2)-c2cn(nn2)[C@@H]2CN3CCC2CC3)cc1 |r,wD:18.19,THB:15:18:21.22:25.24,(49.35,-52.09,;48.58,-50.75,;47.04,-50.75,;46.28,-49.41,;47.06,-48.08,;46.29,-46.74,;44.75,-46.74,;43.99,-45.4,;44.77,-44.06,;43.99,-42.72,;42.46,-42.72,;41.69,-44.05,;42.45,-45.39,;40.15,-44.05,;39.1,-45.18,;37.7,-44.53,;37.89,-43,;39.4,-42.7,;36.36,-45.28,;36.15,-46.67,;34.62,-46.01,;33.25,-46.64,;33.54,-45.24,;34.88,-44.64,;34.82,-43,;34.36,-44.11,;48.59,-48.08,;49.36,-49.41,)|

BDBM50534299

C(Oc1cccc(c1)-c1cn(nn1)[C@@H]1CN2CCC1CC2)c1ccccc1 |r,wD:13.14,THB:10:13:16.17:20.19,(46.95,-46.38,;45.41,-46.38,;44.64,-45.04,;45.42,-43.71,;44.65,-42.37,;43.11,-42.36,;42.34,-43.7,;43.1,-45.03,;40.8,-43.69,;39.75,-44.82,;38.36,-44.17,;38.54,-42.64,;40.05,-42.34,;37.01,-44.92,;36.81,-46.31,;35.28,-45.65,;33.91,-46.28,;34.19,-44.89,;35.54,-44.28,;35.47,-42.64,;35.02,-43.75,;47.71,-47.72,;46.93,-49.05,;47.69,-50.39,;49.24,-50.4,;50.01,-49.05,;49.25,-47.72,)|

BDBM50534283

FCCCOc1cccc(c1)-c1cn(nn1)[C@@H]1CN2CCC1CC2 |r,wD:16.17,THB:13:16:19.20:23.22,(52.12,-36.97,;51.34,-38.3,;49.8,-38.29,;49.03,-39.62,;47.49,-39.61,;46.72,-38.27,;47.5,-36.94,;46.73,-35.6,;45.19,-35.6,;44.42,-36.93,;45.18,-38.27,;42.88,-36.92,;41.84,-38.05,;40.44,-37.41,;40.62,-35.88,;42.13,-35.58,;39.1,-38.16,;38.89,-39.54,;37.36,-38.88,;35.99,-39.51,;36.28,-38.12,;37.62,-37.52,;37.56,-35.88,;37.1,-36.99,)|

BDBM50534290

FCCCOc1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:16.17,THB:13:16:19.20:23.22,(34.64,-36.96,;33.86,-38.29,;32.32,-38.28,;31.55,-39.61,;30.01,-39.6,;29.24,-38.26,;30.02,-36.93,;29.25,-35.59,;27.71,-35.59,;26.94,-36.92,;27.7,-38.26,;25.4,-36.91,;24.36,-38.04,;22.96,-37.4,;23.14,-35.87,;24.65,-35.57,;21.61,-38.14,;21.41,-39.53,;19.88,-38.87,;18.51,-39.5,;18.8,-38.11,;20.14,-37.5,;20.08,-35.87,;19.62,-36.98,)|

BDBM50534297

FCCOc1cccc(c1)-c1cn(nn1)[C@@H]1CN2CCC1CC2 |r,wD:15.16,THB:12:15:18.19:22.21,(49.8,-30.19,;48.26,-30.18,;47.48,-31.51,;45.94,-31.51,;45.18,-30.17,;45.95,-28.84,;45.18,-27.5,;43.64,-27.5,;42.88,-28.83,;43.64,-30.16,;41.34,-28.82,;40.29,-29.95,;38.89,-29.3,;39.07,-27.77,;40.59,-27.47,;37.55,-30.05,;37.35,-31.44,;35.81,-30.78,;34.44,-31.41,;34.73,-30.02,;36.07,-29.41,;36.01,-27.77,;35.56,-28.88,)|

BDBM50534289

Oc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:12.13,THB:9:12:15.16:19.18,(23.93,-41.63,;22.38,-41.63,;21.61,-42.96,;20.07,-42.95,;19.31,-41.61,;20.07,-40.28,;21.61,-40.28,;17.76,-41.61,;16.72,-42.74,;15.32,-42.09,;15.5,-40.56,;17.01,-40.26,;13.97,-42.84,;13.77,-44.23,;12.24,-43.57,;10.87,-44.2,;11.15,-42.81,;12.5,-42.2,;12.43,-40.56,;11.98,-41.67,)|

BDBM50534302

C(Oc1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2)c1ccccc1 |r,wU:13.14,THB:10:13:16.17:20.19,(30.56,-47.26,;29.02,-47.25,;28.26,-45.91,;29.03,-44.58,;28.26,-43.24,;26.72,-43.24,;25.96,-44.57,;26.72,-45.91,;24.42,-44.56,;23.37,-45.69,;21.97,-45.05,;22.15,-43.52,;23.66,-43.22,;20.62,-45.79,;20.42,-47.18,;18.89,-46.52,;17.52,-47.15,;17.8,-45.76,;19.15,-45.15,;19.09,-43.52,;18.63,-44.63,;31.33,-48.6,;30.54,-49.92,;31.31,-51.26,;32.85,-51.27,;33.63,-49.93,;32.86,-48.6,)|

BDBM50534285

FCCCOc1cccc(c1)-c1cn(nn1)C1CN2CCC1CC2 |THB:13:16:19.20:23.22,(16.91,-37.12,;16.14,-38.45,;14.6,-38.44,;13.82,-39.77,;12.28,-39.76,;11.52,-38.43,;12.29,-37.09,;11.52,-35.75,;9.99,-35.75,;9.22,-37.08,;9.98,-38.42,;7.68,-37.08,;6.63,-38.21,;5.23,-37.56,;5.42,-36.03,;6.93,-35.73,;3.89,-38.31,;3.69,-39.69,;2.15,-39.04,;.79,-39.67,;1.07,-38.27,;2.41,-37.67,;2.35,-36.03,;1.9,-37.14,)|

BDBM50534298

Fc1cccc(c1)-c1cn(nn1)[C@@H]1CN2CCC1CC2 |r,wD:12.13,THB:9:12:15.16:19.18,(44.38,-22.41,;43.62,-21.07,;44.4,-19.74,;43.62,-18.4,;42.09,-18.4,;41.32,-19.73,;42.08,-21.06,;39.78,-19.72,;38.73,-20.85,;37.33,-20.2,;37.51,-18.67,;39.02,-18.37,;35.98,-20.95,;35.78,-22.34,;34.25,-21.68,;32.88,-22.31,;33.16,-20.92,;34.51,-20.31,;34.44,-18.67,;33.99,-19.78,)|

BDBM50534295

Fc1ccc(COc2cccc(c2)-c2cn(nn2)[C@H]2CN3CCC2CC3)cc1 |r,wU:18.19,THB:15:18:21.22:25.24,(33.44,-52.15,;32.67,-50.81,;31.13,-50.8,;30.37,-49.46,;31.15,-48.14,;30.39,-46.8,;28.84,-46.79,;28.08,-45.45,;28.86,-44.12,;28.08,-42.78,;26.55,-42.78,;25.78,-44.11,;26.54,-45.44,;24.24,-44.1,;23.19,-45.23,;21.79,-44.58,;21.98,-43.05,;23.49,-42.76,;20.45,-45.33,;20.25,-46.72,;18.71,-46.06,;17.34,-46.69,;17.63,-45.3,;18.97,-44.69,;18.91,-43.05,;18.45,-44.16,;32.68,-48.14,;33.45,-49.47,)|

BDBM50534301

FCCOc1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:15.16,THB:12:15:18.19:22.21,(32.59,-29.82,;31.05,-29.81,;30.27,-31.14,;28.73,-31.13,;27.97,-29.8,;28.75,-28.46,;27.97,-27.12,;26.44,-27.12,;25.67,-28.45,;26.43,-29.79,;24.13,-28.45,;23.08,-29.58,;21.68,-28.93,;21.87,-27.4,;23.38,-27.1,;20.34,-29.68,;20.14,-31.06,;18.6,-30.4,;17.24,-31.04,;17.52,-29.64,;18.87,-29.04,;18.8,-27.4,;18.35,-28.51,)|

BDBM50534296

Fc1ccc(COc2cccc(c2)-c2cn(nn2)C2CN3CCC2CC3)cc1 |THB:15:18:21.22:25.24,(15.78,-52.49,;15.01,-51.15,;13.47,-51.14,;12.71,-49.81,;13.49,-48.48,;12.72,-47.14,;11.18,-47.14,;10.42,-45.8,;11.2,-44.46,;10.42,-43.12,;8.89,-43.12,;8.12,-44.45,;8.88,-45.79,;6.58,-44.45,;5.53,-45.58,;4.13,-44.93,;4.31,-43.4,;5.83,-43.1,;2.79,-45.68,;2.58,-47.07,;1.05,-46.41,;-.33,-47.04,;-.04,-45.64,;1.31,-45.04,;1.25,-43.4,;.79,-44.51,;15.02,-48.48,;15.79,-49.81,)|

BDBM50093251

O=C1OCC2(CN3CCC2CC3)O1 |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(9.83,-3.22,;8.26,-3.72,;7.75,-5.29,;6.11,-5.29,;5.59,-3.72,;4.41,-4.35,;3.8,-3.05,;2.1,-3.6,;2.73,-2.49,;4.54,-2.05,;4.92,-1.03,;3.8,-1.8,;6.93,-2.75,)|

BDBM50093253

CN1CC2(CN3CCC2CC3)OC1=O |TLB:2:3:9.10:7.6,THB:11:3:9.10:7.6,(8.37,-6.07,;7.28,-4.97,;5.74,-4.97,;5.25,-3.5,;4.14,-4.08,;3.57,-2.86,;1.97,-3.38,;2.56,-2.34,;4.26,-1.93,;4.62,-.97,;3.57,-1.69,;6.51,-2.58,;7.76,-3.5,;9.23,-3.02,)|

BDBM50093254

O=C1NCCC2(CN3CCC2CC3)O1 |TLB:4:5:11.12:9.8,THB:13:5:11.12:9.8,(9.22,-3.02,;7.75,-3.49,;7.74,-5.03,;6.58,-5.81,;5.25,-5.03,;5.25,-3.49,;4.14,-4.08,;3.56,-2.86,;1.97,-3.37,;2.56,-2.34,;4.26,-1.93,;4.61,-.97,;3.56,-1.69,;6.5,-2.58,)|

BDBM50093252

O=C1NCC2(CN3CCC2CC3)N1 |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(24.72,-6.48,;23.15,-7,;22.63,-8.57,;20.98,-8.57,;20.48,-7,;19.28,-7.62,;18.67,-6.32,;16.97,-6.87,;17.6,-5.76,;19.41,-5.32,;19.8,-4.3,;18.67,-5.07,;21.81,-6.02,)|

BDBM50093255

O=C1NCC2(CN3CCC2CC3)O1 |(13.73,-1.27,;14.13,.22,;13.16,1.42,;14.01,2.72,;15.5,2.31,;15.5,3.85,;16.83,4.63,;18.16,3.85,;18.16,2.31,;16.83,1.55,;16.25,2.54,;17.59,3.3,;15.58,.77,)|

BDBM50093256

O=C1NC2(CO1)CN1CCC2CC1 |TLB:4:3:11.12:9.8,THB:2:3:11.12:9.8,(24.72,-6.48,;23.15,-7,;21.81,-6.02,;20.48,-7,;20.98,-8.57,;22.63,-8.57,;19.28,-7.62,;18.67,-6.32,;16.97,-6.87,;17.6,-5.76,;19.41,-5.32,;19.8,-4.3,;18.67,-5.07,)|

BDBM50093259

CCN1CC2(CN3CCC2CC3)OC1=O |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(7.97,-7.56,;8.38,-6.07,;7.29,-4.98,;5.75,-4.98,;5.26,-3.5,;4.15,-4.09,;3.57,-2.87,;1.98,-3.39,;2.56,-2.35,;4.27,-1.93,;4.63,-.97,;3.57,-1.7,;6.52,-2.59,;7.77,-3.5,;9.25,-3.03,)|

BDBM50093257

O=C1CC2(CN1)CN1CCC2CC1 |TLB:4:3:11.12:9.8,THB:2:3:11.12:9.8,(9.19,-3.01,;7.72,-3.48,;6.48,-2.57,;5.23,-3.48,;5.71,-4.95,;7.25,-4.95,;4.13,-4.06,;3.55,-2.85,;1.97,-3.36,;2.55,-2.33,;4.24,-1.92,;4.6,-.96,;3.55,-1.69,)|

BDBM50093258

CN1C(=O)NCC11CN2CCC1CC2 |TLB:5:6:12.13:10.9,THB:1:6:12.13:10.9,(20.42,-4.1,;20.42,-5.64,;21.67,-6.55,;23.15,-6.07,;21.19,-8.03,;19.64,-8.03,;19.18,-6.55,;18.05,-7.14,;17.48,-5.92,;15.89,-6.44,;16.48,-5.39,;18.17,-4.98,;18.54,-4.03,;17.48,-4.75,)|

BDBM50093260

O=C1CCC2(CN3CCC2CC3)O1 |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(9.2,-3.01,;7.73,-3.48,;7.26,-4.95,;5.72,-4.95,;5.23,-3.48,;4.13,-4.07,;3.55,-2.85,;1.97,-3.37,;2.55,-2.33,;4.25,-1.92,;4.6,-.96,;3.55,-1.69,;6.49,-2.57,)|

BDBM50544009

C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccc(O)c(I)c4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(O)=O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O |r|

BDBM50548706

Oc1ccc2C3CC(CN3)Cn2c1=O |TLB:3:4:6:8.9,THB:12:11:6:8.9|

BDBM109762

C1N[C@@H](CC=C1)c1cccnc1 |r,c:4|

BDBM50548711

C1N[C@H](CC=C1)c1cccnc1 |r,c:4|

BDBM109767

C1CC[C@H](NC1)c1cccnc1 |r|

BDBM50548712

C1CC[C@@H](NC1)c1cccnc1

BDBM109773

c1cc(cnc1)C2=NCCCC2

BDBM50549597

[H][C@]1(CCCN1C)[C@@]1([H])COc2c(O1)cccc2-c1ccccc1 |r|

BDBM50549598

[H][C@]1(CCCN1C)[C@]1([H])COc2c(O1)cccc2-c1ccccc1 |r|

BDBM50549595

[H][C@]1(CCCN1C)[C@@]1([H])COc2c(N)cccc2O1 |r|

BDBM50549599

[H][C@]1(CCCN1C)[C@]1([H])COc2c(N)cccc2O1 |r|

BDBM50549600

[H][C@]1(CCCN1C)[C@@]1([H])COc2cc(ccc2O1)-c1ccccc1 |r|

BDBM50549601

[H][C@]1(CCCN1C)[C@]1([H])COc2cc(ccc2O1)-c1ccccc1 |r|

BDBM50549602

[H][C@]1(CCCN1C)[C@@]1([H])COc2cc(O)ccc2O1 |r|

BDBM50549603

[H][C@]1(CCCN1C)[C@]1([H])COc2cc(O)ccc2O1 |r|

BDBM50549604

[H][C@]1(CCCN1C)[C@@]1([H])COc2cc(ccc2O1)[N+]([O-])=O |r|

BDBM50549605

[H][C@]1(CCCN1C)[C@]1([H])COc2cc(ccc2O1)[N+]([O-])=O |r|

BDBM50549606

[H][C@]1(CCCN1C)[C@@]1([H])COc2cc(N)ccc2O1 |r|

BDBM50549607

[H][C@]1(CCCN1C)[C@@]1([H])COc2ccc(cc2O1)N(C)C |r|

BDBM50549608

[H][C@]1(CCCN1C)[C@]1([H])COc2ccc(NC(C)=O)cc2O1 |r|

BDBM50357063

CN1CCC[C@H]1[C@H]1COc2ccc(cc2O1)-c1ccccc1 |r|

BDBM50357062

CN1CCC[C@H]1[C@@H]1COc2ccc(cc2O1)-c1ccccc1 |r|

BDBM50357065

CN1CCC[C@H]1[C@H]1COc2ccc(O)cc2O1 |r|

BDBM50357064

CN1CCC[C@H]1[C@@H]1COc2ccc(O)cc2O1 |r|

BDBM50549609

[H][C@]1(CCCN1C)[C@@]1([H])COc2ccc(cc2O1)[N+]([O-])=O |r|

BDBM50549610

[H][C@]1(CCCN1C)[C@]1([H])COc2ccc(cc2O1)[N+]([O-])=O |r|

BDBM50549611

[H][C@]1(CCCN1C)[C@@]1([H])COc2ccc(N)cc2O1 |r|

BDBM50549596

[H][C@]1(CCCN1C)[C@]1([H])COc2ccc(N)cc2O1 |r|

BDBM50259713

[H][C@]1(CCCN1C)[C@]1([H])COc2ncccc2O1 |r|

BDBM50194315

CN1CCC[C@H]1[C@@H]1COc2ccccc2O1

BDBM50550026

[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)|

BDBM50556107

C(N1CCC2(CC1)NC(=NO2)c1ccccc1)c1ccccc1 |c:9|

BDBM50556108

Brc1ccc(cc1)C1=NOC2(CCN(Cc3ccccc3)CC2)N1 |t:8|

BDBM50556109

CN1CCC2(CC1)NC(=NO2)c1ccccc1 |c:9|

BDBM50556110

CN1CCC2(CC1)NC(=NO2)c1ccc(Br)cc1 |c:9|

BDBM50556111

COc1cc(ccn1)-c1ccc(cc1)C1=NOC2(CCN(C)CC2)N1 |t:16|

BDBM50123270

Clc1ncc(cc1N=[N+]=[N-])C1CC2CCC1N2 |THB:4:10:16:14.13|

BDBM50563055

CCC(=O)c1cc(-c2ccc(Cl)cc2)n(c1)-c1ccc(cc1)S(N)(=O)=O

BDBM50250186

CC(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50250146

CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50563056

CCC(=O)c1cc(-c2ccccc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50563057

CCC(=O)c1cc(-c2ccc(F)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50563058

CCC(=O)c1cc(-c2ccc(OC)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50563059

CCC(=O)c1cc(-c2ccc(C)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50563060

CCC(=O)c1cc(-c2cccc(Cl)c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50563061

CCC(=O)c1cc(-c2ccccc2Cl)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50563062

CCC(=O)c1cc(-c2ccc(Cl)cc2Cl)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50563063

CCOC(=O)c1cc(-c2ccc(F)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50563064

CCOC(=O)c1cc(-c2ccc(OC)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50563065

CCOC(=O)c1cc(-c2cccc(Cl)c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50563066

CCOC(=O)c1cc(-c2ccccc2Cl)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50563067

CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(c1)-c1ccc(cc1)S(N)(=O)=O

BDBM50563068

CCC(=O)c1cc(-c2ccc(F)cc2)n(c1)-c1ccc(cc1)S(N)(=O)=O

BDBM50563069

CCOC(=O)c1cc(-c2ccc(F)cc2)n(c1)-c1ccc(cc1)S(N)(=O)=O

BDBM50563070

CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(c1N)-c1ccc(cc1)S(N)(=O)=O

BDBM50563071

CCOC(=O)c1cc(-c2ccc(F)cc2)n(c1N)-c1ccc(cc1)S(N)(=O)=O

BDBM50563072

CCC(=O)c1cc(c([nH]1)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1

BDBM50563073

CCC(=O)c1cc(c([nH]1)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1

BDBM50563074

CCC(=O)c1cc(c(-c2ccc(cc2)S(N)(=O)=O)n1C)-c1ccc(F)cc1

BDBM50563075

CCOC(=O)c1cc(-c2ccc(F)cc2)n(n1)-c1ccc(cc1)S(N)(=O)=O

BDBM50563076

CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(cc1)S(N)(=O)=O

BDBM50563077

CCC(=O)c1cc(-c2ccc(cc2)S(N)(=O)=O)n(n1)-c1ccc(Cl)cc1

BDBM50563078

CCCC(=O)c1cc(-c2ccc(cc2)S(N)(=O)=O)n(n1)-c1ccc(Cl)cc1

BDBM50563079

CC(=O)c1cc(-c2ccc(cc2)S(N)(=O)=O)n(n1)-c1ccc(Cl)cc1

BDBM50563080

NS(=O)(=O)c1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(=O)C1CCC1

BDBM50563081

NS(=O)(=O)c1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(=O)CC1CCC1

BDBM50563082

CCC(=O)c1cc(-c2ccc(cc2)S(N)(=O)=O)n(n1)-c1ccc(cc1)C(F)(F)F

BDBM50563083

CCC(=O)c1cc(-c2ccc(cc2)S(N)(=O)=O)n(n1)-c1ccc(F)cc1

BDBM50563084

CCC(=O)c1cc(-c2ccc(cc2)S(N)(=O)=O)n(n1)-c1cccc(Cl)c1

BDBM50563085

CCC(=O)c1cc(-c2ccc(cc2)S(N)(=O)=O)n(n1)-c1ccc(OC)cc1

BDBM50563086

CCC(=O)c1cc(-c2ccc(cc2)S(N)(=O)=O)n(n1)-c1ccc(cn1)C(F)(F)F

BDBM50563054

NS(=O)(=O)c1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(=O)N1CC2CC2C1

BDBM50563087

NS(=O)(=O)c1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(=O)N1CCCC1

BDBM50563088

NS(=O)(=O)c1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(=O)N1CC(F)(F)C1

BDBM50563089

NS(=O)(=O)c1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(=O)N1CCC(F)(F)C1

BDBM50563090

CCC(=O)c1cc(nn1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O

BDBM50564824

C[N+]1(Cc2cccc(c2)N=Nc2cccc(C[N+]3(C)CCCC3)c2)CCCC1

BDBM50564825

C[N+]1(Cc2ccc(cc2)N=Nc2ccc(C[N+]3(C)CCCC3)cc2)CCCC1

BDBM50564826

C[N+]1(Cc2cccc(c2)N=Nc2cccc(C[N+]3(C)CCCCC3)c2)CCCCC1

BDBM50564827

C[N+]1(Cc2ccc(cc2)N=Nc2ccc(C[N+]3(C)CCCCC3)cc2)CCCCC1

BDBM50564828

C[N+]1(Cc2cccc(c2)N=Nc2cccc(C[N+]3(C)CCCCCC3)c2)CCCCCC1

BDBM50564829

C[N+]1(Cc2cccc(c2)N=Nc2cccc(C[N+]3(C)CCC=CC3)c2)CCC=CC1

BDBM50564830

C[N+]1(Cc2cccc(c2)N=Nc2ccccc2)CCCCC1

BDBM50565550

O=C(N1CCN2CCC1CC2)c1ccco1 |TLB:1:2:7.6:9.10,(12.67,-12.64,;12.99,-14.15,;11.85,-15.18,;12.47,-16.85,;10.72,-16.91,;9.42,-16.21,;9.41,-14.47,;10,-13.14,;10.08,-14.65,;8.47,-15.29,;7.83,-16.92,;14.45,-14.62,;14.93,-16.08,;16.47,-16.08,;16.94,-14.62,;15.7,-13.71,)|

BDBM50565551

C[N+]12CCC(CC1)N(CC2)C(=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F |TLB:10:7:3.2:5.6,(8.65,-17.54,;9.42,-16.21,;9.41,-14.47,;10,-13.14,;10.08,-14.65,;8.47,-15.29,;7.83,-16.92,;11.85,-15.18,;12.47,-16.85,;10.72,-16.91,;12.99,-14.15,;12.67,-12.64,;14.45,-14.62,;14.93,-16.08,;16.47,-16.08,;16.94,-14.62,;15.7,-13.71,;18.4,-14.14,;19.55,-15.18,;21.01,-14.71,;21.33,-13.2,;20.18,-12.17,;18.72,-12.64,;20.5,-10.66,;21.96,-10.18,;19.35,-9.63,;20.89,-9.16,)|

BDBM50567433

[H][C@]1(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C)[C@@H](C)CC |r|

BDBM50567435

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r|

BDBM50567436

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r|

BDBM50567437

[H][C@@]12CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC2=O)[C@H](C)O)C(C)C)C(O)=O |r|

BDBM50567438

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N2 |r|

BDBM50135593

C1CC2NC1CCC=C2c1cnccc1-c1ccccc1 |c:8,THB:9:8:3:1.0|

BDBM50135595

C1CC2NC1CCC=C2c1ccc(nc1)-c1ccccc1 |c:8,THB:9:8:3:1.0|

BDBM50135594

Clc1ccc(cn1)C1=CCCC2CCC1N2 |t:8,THB:4:7:12.13:15|

BDBM50135592

C1CC2NC1CCC=C2c1cncc(c1)-c1ccccc1 |c:8,THB:9:8:3:1.0|

BDBM50135597

C1CC2NC1CCC=C2c1cccnc1 |c:8,THB:9:8:3:1.0|

BDBM50135596

C1CC2NC1CCC=C2c1cccnc1-c1ccccc1 |c:8,THB:9:8:3:1.0|

BDBM50572634

Cc1ccc(CC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]ccc3c2)cc1

BDBM50572635

Cc1ccc(OC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]ccc3c2)cc1

BDBM50572636

Cc1ccc(OC2CCN(CC2)C(=O)C(=O)Nc2ccc3n(C)ccc3c2)cc1

BDBM50572637

Cc1ccc(OCC2CN(C2)C(=O)C(=O)Nc2ccc3n(C)ccc3c2)cc1

BDBM50572638

Cc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2ccc3n(C)ccc3c2)cc1

BDBM50572639

Cc1ccc(CN2CCC(CC2)C(=O)C(=O)Nc2ccc3n(C)ccc3c2)cc1

BDBM50572640

Cc1ccc(O[C@H]2CC[C@@H](CC2)C(=O)C(=O)Nc2ccc3n(C)ccc3c2)cn1 |r,wU:6.5,wD:9.12,(22.75,-53.46,;21.43,-54.25,;20.08,-53.5,;18.77,-54.29,;18.8,-55.82,;17.48,-56.6,;16.13,-55.85,;14.8,-56.64,;13.46,-55.89,;13.44,-54.34,;14.75,-53.55,;16.1,-54.3,;12.09,-53.6,;12.06,-52.06,;10.76,-54.39,;10.79,-55.93,;9.41,-53.65,;8.09,-54.44,;8.12,-55.99,;6.8,-56.78,;5.46,-56.03,;4,-56.54,;3.56,-58.01,;3.08,-55.31,;3.96,-54.04,;5.44,-54.49,;6.75,-53.71,;20.13,-56.57,;21.45,-55.79,)|

BDBM50572641

Cc1ccc(Oc2ccc(cc2)C(=O)C(=O)Nc2ccc3n(C)ccc3c2)cc1

BDBM50572642

Cc1ccc(Oc2ccc(cn2)C(=O)C(=O)Nc2ccc3n(C)ccc3c2)cc1

BDBM50572643

Cc1ccc(Oc2cnc(cn2)C(=O)C(=O)Nc2ccc3n(C)ccc3c2)cc1

BDBM50572644

Cc1cn(C)c2ccc(NC(=O)C(=O)N3CCN(Cc4ccc(C)cc4)CC3)cc12

BDBM50572645

Cc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2ccc3c(F)cn(C)c3c2)cc1

BDBM50572646

Cc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2cc3ccn(C)c3cc2F)cc1

BDBM50572647

Cc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2ccc3n(C)cc(F)c3c2)cc1

BDBM50572648

Cc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2ccc3n(C)cc(Cl)c3c2)cc1

BDBM50572649

Cc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2cc(F)c3[nH]ccc3c2)cc1

BDBM50572650

Cc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2cnc3n(C)ccc3c2)cc1

BDBM50572651

Cc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2cnc3n(C)cc(F)c3c2)cc1

BDBM50572652

Cc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2ccn3cccc3c2)cc1

BDBM50572653

CN1CCc2cc(NC(=O)C(=O)N3CCN(Cc4ccc(C)cc4)CC3)ccc12

BDBM50572654

Cc1ccc(CN2CCN(CC2)C(=O)c2nnc(o2)-c2cccc3n(C)ccc23)cc1

BDBM50572655

Cn1ccc2cc(ccc12)-c1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n(C)n1

BDBM50572656

Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccc3n(C)ccc3c2)cc1

BDBM50572657

Cc1ccc(OC2CCN(CC2)C(=O)NCc2ccc3n(C)ccc3c2)cc1

BDBM50572658

Cc1ccc(CN2CCN(CC2)C(=O)NCc2ccc3n(C)ccc3c2)cc1

BDBM50572659

Cc1ccc(OC2CN(C2)C(=O)NCc2ccc3n(C)ccc3c2)cc1

BDBM50572660

Cc1ccc(OC2CCN(C2)C(=O)NCc2ccc3n(C)ccc3c2)cc1

BDBM50572661

Cc1ccc(OCC2CCN(C2)C(=O)NCc2ccc3n(C)ccc3c2)cc1

BDBM50572662

Cc1ccc(OCC2CN(C2)C(=O)NCc2ccc3n(C)ccc3c2)cc1

BDBM50572663

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(F)cc4)C3)ccc12

BDBM50572664

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(Cl)cc4)C3)ccc12

BDBM50572665

COc1ccc(OCC2CN(C2)C(=O)NCc2ccc3n(C)ccc3c2)cc1

BDBM50572666

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(OC(F)(F)F)cc4)C3)ccc12

BDBM50572667

Cn1ccc2cc(CNC(=O)N3CC(COc4ccccc4)C3)ccc12

BDBM50572668

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(cc4)C#N)C3)ccc12

BDBM50572669

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(cc4)C(F)(F)F)C3)ccc12

BDBM50572670

FC(F)(F)c1ccc(OCC2CN(C2)C(=O)NCc2ccc3[nH]ccc3c2)cc1

BDBM50573045

Fc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1

BDBM50573046

Fc1cccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)c1

BDBM50573047

Fc1ccccc1Sc1nc(Cl)nc(Nc2ccc(OC(F)(F)F)cc2)n1

BDBM50573048

Fc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1F

BDBM50573049

FC(F)(F)Oc1ccc(Nc2nc(Cl)nc(Sc3ccc(Cl)cc3)n2)cc1

BDBM50573050

FC(F)(F)Oc1ccc(Nc2nc(Cl)nc(Sc3ccc(Br)cc3)n2)cc1

BDBM50573051

FC(F)(F)Oc1ccc(Nc2nc(Cl)nc(Sc3ccc(cc3)C(F)(F)F)n2)cc1

BDBM50573052

CC(=O)Nc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1

BDBM50573053

FC(F)(F)Oc1ccc(Nc2nc(Cl)nc(Sc3ccc(NC(=O)C(F)(F)F)cc3)n2)cc1

BDBM50573054

CCC(=O)Nc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1

BDBM50573055

CCCC(=O)Nc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1

BDBM50573056

CC(C)(C)C(=O)Nc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1

BDBM50573057

CC(=O)Nc1ccc(cc1)-c1nc(Cl)nc(Nc2ccc(OC(F)(F)F)cc2)n1

BDBM50573058

FC(F)(F)Oc1ccc(Nc2nc(Cl)nc(n2)-c2ccc(Cl)cc2)cc1

BDBM50573059

COc1ccc(cc1)-c1nc(Cl)nc(Nc2ccc(OC(F)(F)F)cc2)n1

BDBM50573060

COc1ccc(cc1)-c1nc(C)nc(Nc2ccc(OC(F)(F)F)cc2)n1

BDBM50573061

CCc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(n1)-c1ccc(OC)cc1

BDBM50573062

CCCc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(n1)-c1ccc(OC)cc1

BDBM50573063

COc1ccc(cc1)-c1nc(N)nc(Nc2ccc(OC(F)(F)F)cc2)n1

BDBM50573064

CNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(n1)-c1ccc(OC)cc1

BDBM50573065

CCCNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(n1)-c1ccc(OC)cc1

BDBM50573066

COc1ccc(cc1)-c1nc(Nc2ccc(OC(F)(F)F)cc2)nc(n1)N1CCN(CCO)CC1

BDBM50573067

COc1ccc(cc1)-c1nc(Nc2ccc(OC(F)(F)F)cc2)nc(n1)C#CC

BDBM50374402

Cc1cc(no1)NC(=O)Nc2cc(c(cc2OC)OC)Cl

BDBM50374403

NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc2ccccc12 |w:14.13,9.19,10.10,c:12|

BDBM50374401

c1cc(c(cc1C(F)(F)F)NC(=O)Nc2cc(ccc2O)Cl)Cl

BDBM50373059

Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|

BDBM50573068

Oc1ccc(CCC(=O)c2cc(O)ccc2O)c(F)c1

BDBM49992

O=C(\C=C\c1ccco1)N1CCc2ccccc12

BDBM50573069

Cc1c(c(C(=O)CC2CC2)n(C)c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O

BDBM50374404

OCc1sc(Nc2ccc(F)c(c2)C(F)(F)F)nc1-c1ccncc1

BDBM50573070

C[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1cncc(n1)N1CCN(CC1)c1ccccn1 |r|

BDBM50140092

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O

BDBM50575337

NS(=O)(=O)N1CCC2(C[C@H]2c2nc3ccccc3s2)CC1 |r|

BDBM50575338

NS(=O)(=O)N1CCC2(CC1)[C@H](c1cccc(n1)-c1ccc(cc1)C(F)(F)F)C2(F)F |r|

BDBM50575339

NS(=O)(=O)N1CCC2(CC1)[C@H](c1cc(ccn1)-c1ccccc1)C2(F)F |r|

BDBM50575340

NS(=O)(=O)N1CCC2(CC1)[C@H](c1cccc(n1)-c1ccccc1C1CC1)C2(F)F |r|

BDBM50575341

NS(=O)(=O)N1CCC2(CC1)C(c1cccc(c1)-c1cccc(c1)C(F)(F)F)C2(F)F

BDBM50575342

NS(=O)(=O)N1CCC2(CC1)C(c1cccc(n1)-c1conc1C1CC1)C2(F)F

BDBM50119801

CCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C |r|

BDBM50143293

C(CCCCCCC[n+]1ccccc1)CCCCCC[n+]1ccccc1

BDBM50000787

Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|

BDBM50143315

Nc1cc(cnc1Cl)C1CC2CCC1N2 |THB:3:8:14:12.11|

BDBM50143318

Clc1cc(cnc1Cl)C1CC2CCC1N2 |THB:3:8:14:12.11|

BDBM50119640

Fc1cc(cnc1Cl)[C@H]1CC2CCC1N2 |THB:3:8:14:12.11|

BDBM50143326

Clc1ncc(cc1Br)C1CC2CCC1N2 |THB:4:8:14:12.11|

BDBM50149143

C(Cc1cc2ccccc2s1)C1CN2CCC1CC2 |(-1.35,1.7,;-.02,.93,;1.31,1.7,;2.75,1.14,;3.72,2.33,;5.26,2.4,;5.96,3.77,;5.12,5.08,;3.58,4.99,;2.88,3.63,;1.38,3.24,;-2.68,.93,;-2.68,-.61,;-4.01,-1.36,;-5.34,-.61,;-5.34,.93,;-4.01,1.72,;-4.64,.55,;-3.59,-.17,)|

BDBM50149147

O=C(CC1CN2CCC1CC2)c1cc2ccccc2s1 |(-.02,-.61,;-.02,.93,;-1.35,1.7,;-2.68,.93,;-2.68,-.61,;-4.01,-1.36,;-5.34,-.61,;-5.34,.93,;-4.01,1.72,;-4.64,.55,;-3.59,-.17,;1.31,1.7,;2.75,1.14,;3.72,2.33,;5.26,2.4,;5.96,3.77,;5.12,5.08,;3.58,4.99,;2.88,3.63,;1.38,3.24,)|

BDBM50149138

C(O[C@H]1CN2CCC1CC2)c1cc2ccccc2s1 |wU:2.1,(.52,2.64,;-.81,3.43,;-2.15,2.66,;-2.15,1.11,;-3.48,.34,;-3.04,1.54,;-4.11,2.26,;-3.48,3.43,;-4.81,2.66,;-4.81,1.11,;1.86,3.41,;3.26,2.78,;4.29,3.92,;5.83,3.9,;6.62,5.24,;5.85,6.59,;4.31,6.59,;3.53,5.26,;2.02,4.95,)|

BDBM50149139

O=C(OC1CN2CCC1CC2)c1ccccc1 |(1.22,-.66,;1.22,.88,;-.11,1.65,;-1.44,.88,;-1.44,-.66,;-2.77,-1.42,;-4.1,-.66,;-4.1,.88,;-2.77,1.66,;-3.38,.49,;-2.33,-.22,;2.57,1.65,;2.55,3.17,;3.88,3.94,;5.23,3.17,;5.23,1.63,;3.88,.86,)|

BDBM50149140

C(OC1CN2CCC1CC2)c1ccc2ccccc2c1 |(1.22,.88,;-.11,1.65,;-1.44,.88,;-1.44,-.66,;-2.77,-1.42,;-4.1,-.66,;-4.1,.88,;-2.77,1.66,;-3.38,.49,;-2.33,-.22,;2.57,1.65,;3.88,.86,;5.23,1.63,;5.23,3.17,;6.56,3.94,;6.56,5.48,;5.23,6.27,;3.88,5.48,;3.88,3.94,;2.55,3.17,)|

BDBM50149141

C(OC1CN2CCC1CC2)c1ccccc1 |(1.22,.88,;-.11,1.65,;-1.44,.88,;-1.44,-.66,;-2.77,-1.42,;-2.33,-.22,;-3.38,.49,;-2.77,1.66,;-4.1,.88,;-4.1,-.66,;2.57,1.65,;2.55,3.17,;3.88,3.94,;5.23,3.17,;5.23,1.63,;3.88,.86,)|

BDBM50149144

O=C(CCC1CN2CCC1CC2)c1cc2ccccc2s1 |(.03,1.51,;.03,-.03,;-1.31,-.8,;-2.64,-.02,;-3.99,-.78,;-3.99,-2.32,;-5.32,-3.09,;-4.88,-1.89,;-5.94,-1.18,;-5.32,-.01,;-6.66,-.78,;-6.66,-2.32,;1.36,-.8,;1.74,-2.29,;3.27,-2.39,;4.22,-3.62,;5.73,-3.41,;6.32,-1.97,;5.39,-.76,;3.84,-.97,;2.67,.02,)|

BDBM50149142

O=C(C1CN2CCC1CC2)c1cc2ccccc2s1 |(.15,-.96,;-1.18,-.17,;-2.52,-.94,;-2.52,-2.48,;-3.85,-3.26,;-3.4,-2.06,;-4.46,-1.34,;-3.85,-.17,;-5.18,-.94,;-5.18,-2.48,;-1.17,1.35,;.19,2.09,;-.09,3.6,;.85,4.83,;.26,6.25,;-1.28,6.46,;-2.21,5.23,;-1.63,3.81,;-2.29,2.42,)|

BDBM50149145

C(OC1CN2CCC1CC2)c1cc2ccccc2s1 |(1.22,.88,;-.11,1.65,;-1.44,.88,;-1.44,-.66,;-2.77,-1.42,;-2.33,-.22,;-3.38,.49,;-2.77,1.66,;-4.1,.88,;-4.1,-.66,;2.57,1.65,;3.97,1.02,;4.99,2.15,;6.53,2.14,;7.31,3.47,;6.54,4.82,;5,4.82,;4.23,3.49,;2.73,3.17,)|

BDBM50149146

C(O[C@@H]1CN2CCC1CC2)c1cc2ccccc2s1 |wD:2.1,(.52,2.64,;-.81,3.43,;-2.15,2.66,;-2.15,1.11,;-3.48,.34,;-3.04,1.54,;-4.11,2.26,;-3.48,3.43,;-4.81,2.66,;-4.81,1.11,;1.86,3.41,;3.26,2.78,;4.29,3.92,;5.83,3.9,;6.62,5.24,;5.85,6.59,;4.31,6.59,;3.53,5.26,;2.02,4.95,)|

BDBM50149148

C(C1CN2CCC1CC2)c1cc2ccccc2s1 |(-1.18,-.17,;-2.52,-.94,;-2.52,-2.48,;-3.85,-3.26,;-5.18,-2.48,;-5.18,-.94,;-3.85,-.17,;-4.46,-1.34,;-3.4,-2.06,;-1.17,1.35,;.19,2.09,;-.09,3.6,;.85,4.83,;.26,6.25,;-1.28,6.46,;-2.21,5.23,;-1.63,3.81,;-2.29,2.42,)|

BDBM50149149

C(OC1CN2CCC1CC2)c1cccc2ccccc12 |(1.22,.88,;-.11,1.65,;-1.44,.88,;-1.44,-.66,;-2.77,-1.43,;-4.11,-.66,;-4.11,.88,;-2.77,1.66,;-3.39,.49,;-2.33,-.22,;2.57,1.65,;2.56,3.18,;3.89,3.95,;5.24,3.17,;5.24,1.63,;6.55,.86,;6.55,-.66,;5.22,-1.43,;3.89,-.66,;3.89,.87,)|

BDBM50149150

COc1ccc(Cc2cccnc2-c2cccnc2)c(OC)c1

BDBM50149151

C(CC1CN2CCC1CC2)Cc1cc2ccccc2s1 |(-1.31,-.8,;-2.64,-.02,;-3.99,-.78,;-3.99,-2.32,;-5.32,-3.09,;-4.88,-1.89,;-5.94,-1.18,;-5.32,-.01,;-6.66,-.78,;-6.66,-2.32,;.03,-.03,;1.36,-.8,;1.74,-2.29,;3.27,-2.39,;4.22,-3.62,;5.73,-3.41,;6.32,-1.97,;5.39,-.76,;3.84,-.97,;2.67,.02,)|

BDBM50581246

C[C@@H](O)[C@@H]1NC(=O)[C@@H]2NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSCS2)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)CN |r|

BDBM50581248

C[C@H](O)[C@H]1NC(=O)[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSCS2)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN |r|

BDBM50443541

NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

BDBM50585788

NCCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|

BDBM50585805

CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)C1CCC(F)(F)CC1 |r|

BDBM50585806

C(CCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 |r|

BDBM50585807

CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)C1CCOCC1 |r|

BDBM50585808

C(CCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CNC1COC1 |r|

BDBM50585810

C(CC1CCNCC1)CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|

BDBM50585811

C(CCN1CCOCC1)CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|

BDBM50315305

c1ccc2c(c1)[nH]c(n2)CN(CCCCN)[C@H]3CCCc4c3nccc4

BDBM50155635

CC(C)O\N=C\[C@@H]1CCCN1C

BDBM50155639

C\C=N/OC[C@@H]1CCCN1C

BDBM50155637

[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]\[#7]=[#6](\[#6])-[#6]

BDBM50155642

CC(C)O\N=C\[C@H]1CCCN1C

BDBM50587080

C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50587081

C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50587082

C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50587083

C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50587084

C[C@H](N)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC1=O |r|

BDBM50587085

C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(OS(O)(=O)=O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)CN)C(=O)N2)NC1=O)C(N)=O |r|

BDBM50587086

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H]1CSSC[C@H]2NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC1=O |r|

BDBM50587087

CC(C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|

BDBM50516336

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)NCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|

BDBM50587088

CSCC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(OS(O)(=O)=O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

BDBM50587089

C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50587090

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|

BDBM50587091

CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50587094

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50587095

CC(C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|

BDBM50587472

CCN1C[C@H]2CCC[C@@](COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)(C1)C2=C |r,TLB:1:2:28:6.7.5|

BDBM50160557

Cc1cc2CCC3CCC(N3)c2cn1

BDBM50023331

C1CC2NC1CCc1ccncc21

BDBM50590140

CCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N3)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O)[C@@H](C)O |r|

BDBM50590141

CCCC[C@@H]1N[C@@H](CO)C(=O)NCC(=O)N[C@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)CN)C(=O)N[C@@H](CO)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)N[C@@H](CCCC)C(=O)NC2=O)[C@@H](C)O)C(O)=O)C(=O)NC1=O)C(C)C |r|

BDBM50590142

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC2=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(O)=O)C(O)=O |r|

BDBM50590143

[H][C@@]12CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O |r|

BDBM50170269

CN1CC[C@@H]2CCc3cc[n+](BC#N)cc3[C@H]12

BDBM50099562

CN1CC[C@@H]2CCc3ccncc3[C@H]12

BDBM50170270

CN1CCC[C@H]1c1ccc[n+](BC#N)c1

BDBM50099564

CN1CC[C@H]2CCc3ncccc3[C@@H]12

BDBM50170271

CN1CC[C@H]2CCc3c(ccc[n+]3BC#N)[C@@H]12

BDBM50597497

CC[N+](C)(C)CCOc1ccc(C=Cc2ccccc2)cc1

BDBM50597498

CC[N+](C)(CC)CCOc1ccc(C=Cc2ccccc2)cc1

BDBM50188952

C[N+](C)(C)CCOc1ccc(\C=C\c2ccccc2)cc1

BDBM50597499

C[N+](C)(CCOc1ccc(C=Cc2ccccc2)cc1)C1CCCCC1

BDBM50597500

C[N+](CCOc1ccc(C=Cc2ccccc2)cc1)(C1CCCCC1)C1CCCCC1

BDBM50597501

CC[N+](CC)(CCOc1ccc(C=Cc2ccccc2)cc1)Cc1ccccc1

BDBM50597502

CC[N+](CCOc1ccc(C=Cc2ccccc2)cc1)(Cc1ccccc1)Cc1ccccc1

BDBM50597503

C[N+](C)(CCOc1ccc(C=Cc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2

BDBM50597504

C(C[N+]12CCC(CC1)CC2)Oc1ccc(C=Cc2ccccc2)cc1

BDBM50597505

C[N+]1(CCOc2ccc(C=Cc3ccccc3)cc2)CCC1

BDBM50597506

C[N+]1(CCOc2ccc(C=Cc3ccccc3)cc2)CCCC1

BDBM50597507

C[N+]1(CCOc2ccc(C=Cc3ccccc3)cc2)CCCCC1

BDBM50597508

C[N+]1(CCOc2ccc(C=Cc3ccccc3)cc2)CCOCC1

BDBM50597509

C(C[n+]1ccccc1)Oc1ccc(C=Cc2ccccc2)cc1

BDBM50597510

C[N+]1(C)CC(C1)Oc1ccc(C=Cc2ccccc2)cc1

BDBM50597511

C[N+]1(C)CCC(C1)Oc1ccc(C=Cc2ccccc2)cc1

BDBM50597512

C[N+]1(C)CC[C@@H](C1)Oc1ccc(C=Cc2ccccc2)cc1

BDBM50597513

C[N+]1(C)CC[C@H](C1)Oc1ccc(C=Cc2ccccc2)cc1

BDBM50597514

CC[N+]1(C)CC[C@H](C1)Oc1ccc(C=Cc2ccccc2)cc1

BDBM50597515

CC[N+]1(CC)CC[C@H](C1)Oc1ccc(C=Cc2ccccc2)cc1

BDBM50597516

C[N+]1(C)CCCC(C1)Oc1ccc(C=Cc2ccccc2)cc1

BDBM50597517

C[N+]1(C)CCC(CC1)Oc1ccc(C=Cc2ccccc2)cc1

BDBM50597518

C[N+]12CCC(CC1)C(C2)Oc1ccc(C=Cc2ccccc2)cc1

BDBM50597519

C[N+]1(C)CCC[C@H]1COc1ccc(C=Cc2ccccc2)cc1

BDBM50597520

C[N+]1(C)CCC[C@@H]1COc1ccc(C=Cc2ccccc2)cc1

BDBM50597521

CC[N+](C)(CC)[C@@H]1C[C@H]1Oc1ccc(C=Cc2ccccc2)cc1

BDBM50597522

CC[N+](C)(CC)[C@H]1C[C@H]1Oc1ccc(C=Cc2ccccc2)cc1

BDBM50601896

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)NC(CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|

BDBM311268

CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|

BDBM50604138

COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(C)c1 |r|

BDBM50606633

[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r|

BDBM50190784

O=C(N[C@H]1CN2CCC1CC2)c1ccc2OCCc2c1 |wU:3.2,(11.67,-14.82,;11.67,-16.36,;13.01,-17.12,;14.34,-16.35,;14.33,-14.81,;15.67,-14.04,;17.01,-14.81,;17.01,-16.35,;15.68,-17.12,;14.8,-15.97,;15.62,-15.18,;10.34,-17.14,;10.35,-18.69,;9,-19.46,;7.67,-18.69,;6.21,-19.16,;5.3,-17.92,;6.21,-16.67,;7.68,-17.15,;9,-16.37,)|

BDBM50190790

O=C(N[C@H]1CN2CCC1CC2)c1cc2occc2cn1 |wU:3.2,(27.35,-21.97,;27.36,-23.51,;28.69,-24.27,;30.02,-23.5,;30.01,-21.96,;31.35,-21.19,;32.69,-21.96,;32.69,-23.5,;31.36,-24.27,;30.48,-23.12,;31.3,-22.32,;26.02,-24.29,;24.68,-23.52,;23.36,-24.3,;21.89,-23.82,;20.99,-25.07,;21.89,-26.31,;23.36,-25.84,;24.69,-26.61,;26.03,-25.84,)|

BDBM50190793

O=C(N[C@H]1CN2CCC1CC2)c1cc2sccc2cn1 |wU:3.2,(26.77,-30.5,;26.77,-32.04,;28.11,-32.81,;29.44,-32.03,;29.43,-30.5,;30.77,-29.72,;32.11,-30.49,;32.11,-32.03,;30.78,-32.8,;29.9,-31.66,;30.72,-30.86,;25.44,-32.82,;24.1,-32.06,;22.78,-32.83,;21.31,-32.36,;20.4,-33.6,;21.31,-34.85,;22.77,-34.37,;24.1,-35.14,;25.45,-34.37,)|

BDBM50190789

O=C(N[C@H]1CN2CCC1CC2)c1ccc2sccc2c1 |wU:3.2,(11.98,-5.28,;11.99,-6.82,;13.33,-7.58,;14.66,-6.8,;14.65,-5.27,;15.99,-4.5,;17.32,-5.26,;17.32,-6.8,;16,-7.58,;15.12,-6.43,;15.94,-5.63,;10.66,-7.59,;10.66,-9.15,;9.32,-9.92,;7.99,-9.15,;6.52,-9.62,;5.62,-8.37,;6.53,-7.13,;7.99,-7.61,;9.32,-6.83,)|

BDBM50190783

O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1 |wU:3.2,(27.6,-12.86,;27.61,-14.4,;28.95,-15.16,;30.28,-14.39,;30.27,-12.85,;31.61,-12.08,;32.95,-12.85,;32.94,-14.39,;31.62,-15.16,;30.74,-14.01,;31.56,-13.22,;26.28,-15.18,;26.29,-16.73,;24.94,-17.5,;23.61,-16.73,;22.15,-17.2,;21.24,-15.96,;22.15,-14.71,;23.61,-15.19,;24.94,-14.41,)|

BDBM50190791

O=C(N[C@H]1CN2CCC1CC2)c1cc2ccsc2cn1 |wU:3.2,(11.37,-32.25,;11.38,-33.79,;12.72,-34.55,;14.05,-33.78,;14.04,-32.24,;15.38,-31.47,;16.72,-32.24,;16.71,-33.78,;15.39,-34.55,;14.51,-33.4,;15.33,-32.61,;10.05,-34.57,;8.71,-33.8,;7.38,-34.58,;5.92,-34.1,;5.01,-35.35,;5.92,-36.59,;7.38,-36.12,;8.71,-36.89,;10.06,-36.12,)|

BDBM50190788

O=C(N[C@H]1CN2CCC1CC2)c1ccc2occc2c1 |wU:3.2,(-3.91,-15.15,;-3.91,-16.69,;-2.57,-17.45,;-1.24,-16.67,;-1.25,-15.14,;.09,-14.37,;1.43,-15.13,;1.43,-16.67,;.1,-17.45,;-.78,-16.3,;.04,-15.5,;-5.24,-17.46,;-5.23,-19.02,;-6.57,-19.79,;-7.91,-19.02,;-9.37,-19.49,;-10.28,-18.24,;-9.37,-17,;-7.9,-17.48,;-6.58,-16.7,)|

BDBM50190785

O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2c1 |wU:3.2,(28.02,-3.67,;28.02,-5.21,;29.36,-5.97,;30.69,-5.19,;30.68,-3.66,;32.02,-2.89,;33.36,-3.65,;33.36,-5.2,;32.03,-5.97,;31.15,-4.82,;31.97,-4.02,;26.69,-5.98,;26.7,-7.54,;25.35,-8.31,;24.02,-7.54,;22.56,-8.01,;21.65,-6.76,;22.56,-5.52,;24.03,-6,;25.35,-5.22,)|

BDBM50190794

O=C(N[C@H]1CN2CCC1CC2)c1ccc2NCCc2c1 |wU:3.2,(-3.98,-5.4,;-3.98,-6.95,;-2.64,-7.71,;-1.31,-6.93,;-1.32,-5.4,;.02,-4.62,;1.36,-5.39,;1.36,-6.93,;.03,-7.7,;-.85,-6.56,;-.03,-5.76,;-5.31,-7.72,;-5.3,-9.27,;-6.64,-10.05,;-7.97,-9.28,;-9.44,-9.75,;-10.34,-8.5,;-9.44,-7.26,;-7.97,-7.74,;-6.65,-6.96,)|

BDBM50192903

CN1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1

BDBM50080814

CN1[C@@H](CCc2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1

BDBM50080826

CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1\C=C\c1ccccc1

BDBM50192904

CN1[C@@H](CCc2ccccc2)CCC[C@H]1C[C@@H](O)c1ccccc1

BDBM50192905

CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1

BDBM50192907

CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1\C=C\c1ccccc1

BDBM50080821

CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1

BDBM50192906

CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1

BDBM50609507

C([C@H]1[C@H](Oc2ccc(cn2)-c2ccc3[nH]ccc3c2)C2CCN1CC2)c1cccnc1 |r,wU:2.2,wD:1.0,(-2.57,.76,;-3.9,1.54,;-3.9,3.08,;-2.57,3.84,;-1.24,3.07,;.09,3.83,;1.42,3.07,;1.42,1.52,;.09,.75,;-1.24,1.53,;2.76,.75,;4.08,1.52,;5.41,.75,;5.42,-.8,;6.56,-1.83,;5.94,-3.23,;4.4,-3.07,;4.08,-1.57,;2.75,-.79,;-5.23,3.85,;-6.56,3.08,;-6.56,1.54,;-5.23,.77,;-4.48,2.11,;-5.81,2.88,;-2.57,-.78,;-3.91,-1.54,;-3.91,-3.08,;-2.58,-3.85,;-1.24,-3.08,;-1.24,-1.54,)|

BDBM50609508

C([C@@H]1[C@H](Oc2ccc(nn2)-c2ccc3[nH]ccc3c2)C2CCN1CC2)c1cccnc1 |r,wU:2.2,1.0,(-2.57,.76,;-3.9,1.54,;-3.9,3.08,;-2.57,3.84,;-1.24,3.07,;.09,3.83,;1.42,3.07,;1.42,1.52,;.09,.75,;-1.24,1.53,;2.76,.75,;4.08,1.52,;5.41,.75,;5.42,-.8,;6.56,-1.83,;5.94,-3.23,;4.4,-3.07,;4.08,-1.57,;2.75,-.79,;-5.23,3.85,;-6.56,3.08,;-6.56,1.54,;-5.23,.77,;-4.48,2.11,;-5.81,2.88,;-2.57,-.78,;-3.91,-1.54,;-3.91,-3.08,;-2.58,-3.85,;-1.24,-3.08,;-1.24,-1.54,)|

BDBM50609509

C([C@H]1[C@H](Oc2cnc(cn2)-c2ccc3[nH]ccc3c2)C2CCN1CC2)c1cccnc1 |r,wU:2.2,wD:1.0,(-2.57,.76,;-3.9,1.54,;-3.9,3.08,;-2.57,3.84,;-1.24,3.07,;.09,3.83,;1.42,3.07,;1.42,1.52,;.09,.75,;-1.24,1.53,;2.76,.75,;4.08,1.52,;5.41,.75,;5.42,-.8,;6.56,-1.83,;5.94,-3.23,;4.4,-3.07,;4.08,-1.57,;2.75,-.79,;-5.23,3.85,;-6.56,3.08,;-6.56,1.54,;-5.23,.77,;-4.48,2.11,;-5.81,2.88,;-2.57,-.78,;-3.91,-1.54,;-3.91,-3.08,;-2.58,-3.85,;-1.24,-3.08,;-1.24,-1.54,)|

BDBM50609510

C([C@H]1[C@H](Oc2ccc(nn2)-c2ccc3[nH]ccc3c2)C2CCN1CC2)c1cccnc1 |r,wU:2.2,wD:1.0,(-2.57,.76,;-3.9,1.54,;-3.9,3.08,;-2.57,3.84,;-1.24,3.07,;.09,3.83,;1.42,3.07,;1.42,1.52,;.09,.75,;-1.24,1.53,;2.76,.75,;4.08,1.52,;5.41,.75,;5.42,-.8,;6.56,-1.83,;5.94,-3.23,;4.4,-3.07,;4.08,-1.57,;2.75,-.79,;-5.23,3.85,;-6.56,3.08,;-6.56,1.54,;-5.23,.77,;-4.48,2.11,;-5.81,2.88,;-2.57,-.78,;-3.91,-1.54,;-3.91,-3.08,;-2.58,-3.85,;-1.24,-3.08,;-1.24,-1.54,)|

BDBM50609511

C([C@@H]1[C@@H](Oc2ccc(nn2)-c2ccc3[nH]ccc3c2)C2CCN1CC2)c1cccnc1 |r,wU:1.0,wD:2.2,(-2.57,.76,;-3.9,1.54,;-3.9,3.08,;-2.57,3.84,;-1.24,3.07,;.09,3.83,;1.42,3.07,;1.42,1.52,;.09,.75,;-1.24,1.53,;2.76,.75,;4.08,1.52,;5.41,.75,;5.42,-.8,;6.56,-1.83,;5.94,-3.23,;4.4,-3.07,;4.08,-1.57,;2.75,-.79,;-5.23,3.85,;-6.56,3.08,;-6.56,1.54,;-5.23,.77,;-4.48,2.11,;-5.81,2.88,;-2.57,-.78,;-3.91,-1.54,;-3.91,-3.08,;-2.58,-3.85,;-1.24,-3.08,;-1.24,-1.54,)|

BDBM50609512

Nc1nc2ccc(cc2s1)-c1ccc(O[C@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)nn1 |r,wU:22.26,wD:15.16,(6.63,-4.21,;5.86,-2.88,;6.49,-1.47,;5.34,-.44,;5.34,1.11,;4.01,1.87,;2.68,1.1,;2.68,-.44,;4.01,-1.21,;4.33,-2.72,;1.35,1.87,;1.35,3.42,;.02,4.19,;-1.31,3.42,;-2.64,4.2,;-3.98,3.43,;-5.31,4.21,;-6.63,3.43,;-6.63,1.89,;-5.31,1.13,;-4.55,2.47,;-5.89,3.24,;-3.98,1.89,;-2.64,1.12,;-2.65,-.42,;-3.98,-1.18,;-3.99,-2.72,;-2.65,-3.5,;-1.31,-2.72,;-1.32,-1.18,;-1.32,1.88,;.01,1.11,)|

BDBM50609513

C([C@@H]1[C@@H](Oc2ccc(nn2)-c2ccc[nH]2)C2CCN1CC2)c1cccnc1 |r,wU:1.0,wD:2.2,(-1.89,.76,;-3.22,1.54,;-3.22,3.08,;-1.89,3.84,;-.55,3.07,;.77,3.83,;2.11,3.07,;2.11,1.52,;.77,.75,;-.56,1.53,;3.44,.75,;3.6,-.78,;5.11,-1.11,;5.88,.22,;4.85,1.37,;-4.55,3.85,;-5.88,3.08,;-5.88,1.54,;-4.55,.77,;-3.8,2.11,;-5.13,2.88,;-1.89,-.78,;-3.23,-1.54,;-3.23,-3.08,;-1.9,-3.85,;-.56,-3.08,;-.56,-1.54,)|

BDBM50609514

C([C@@H]1[C@@H](Oc2nnc(s2)-c2ccc3[nH]ccc3c2)C2CCN1CC2)c1cccnc1 |r,wU:1.0,wD:2.2,(-3.11,.56,;-4.45,1.33,;-4.45,2.87,;-3.11,3.64,;-1.78,2.86,;-1.61,1.33,;-.11,1.01,;.66,2.34,;-.36,3.48,;2.2,2.49,;2.82,3.9,;4.35,4.06,;5.26,2.81,;6.79,2.64,;7.11,1.13,;5.77,.36,;4.63,1.4,;3.09,1.24,;-5.78,3.65,;-7.11,2.87,;-7.11,1.33,;-5.78,.57,;-5.02,1.91,;-6.36,2.68,;-3.12,-.98,;-4.45,-1.75,;-4.46,-3.28,;-3.12,-4.06,;-1.78,-3.28,;-1.79,-1.75,)|

BDBM50609515

C([C@@H]1[C@@H](Oc2cc3ccccc3cn2)C2CCN1CC2)c1cccnc1 |r,wU:1.0,wD:2.2,(-1.33,.76,;-2.67,1.54,;-2.67,3.08,;-1.33,3.84,;-0,3.07,;1.33,3.83,;2.66,3.07,;3.99,3.84,;5.32,3.07,;5.33,1.52,;3.99,.75,;2.66,1.52,;1.32,.75,;-.01,1.53,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-4,.77,;-3.24,2.11,;-4.58,2.88,;-1.34,-.78,;-2.67,-1.54,;-2.68,-3.08,;-1.34,-3.85,;-0,-3.08,;-.01,-1.54,)|

BDBM50609516

C([C@@H]1[C@@H](Oc2ccc3ccccc3n2)C2CCN1CC2)c1cccnc1 |r,wU:1.0,wD:2.2,(-1.34,.76,;-2.67,1.54,;-2.67,3.08,;-1.33,3.84,;-0,3.07,;-.01,1.53,;1.32,.75,;2.66,1.52,;3.99,.75,;5.33,1.52,;5.32,3.07,;3.99,3.84,;2.66,3.07,;1.33,3.83,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-4,.77,;-3.24,2.11,;-4.58,2.88,;-1.34,-.78,;-2.67,-1.54,;-2.68,-3.08,;-1.34,-3.85,;-0,-3.08,;-.01,-1.54,)|

BDBM50609517

C([C@H]1[C@H](Oc2ccc(nn2)-c2ccccc2)C2CCN1CC2)c1cccnc1 |r,wU:2.2,wD:1.0,(-2,.76,;-3.33,1.54,;-3.33,3.08,;-1.99,3.84,;-.66,3.07,;.67,3.83,;2,3.07,;2,1.52,;.66,.75,;-.67,1.53,;3.33,.75,;4.65,1.52,;5.99,.75,;5.99,-.8,;4.66,-1.57,;3.32,-.79,;-4.66,3.85,;-5.99,3.08,;-5.99,1.54,;-4.66,.77,;-3.9,2.11,;-5.24,2.88,;-2,-.78,;-3.34,-1.54,;-3.34,-3.08,;-2.01,-3.85,;-.67,-3.08,;-.67,-1.54,)|

BDBM50609518

C([C@@H]1[C@@H](Oc2nnc(s2)-c2ccccc2)C2CCN1CC2)c1cccnc1 |r,wU:1.0,wD:2.2,(-2.19,.56,;-3.52,1.33,;-3.52,2.87,;-2.19,3.64,;-.85,2.86,;-.69,1.33,;.82,1.01,;1.59,2.34,;.56,3.48,;3.12,2.49,;3.74,3.9,;5.27,4.06,;6.18,2.81,;5.55,1.4,;4.02,1.24,;-4.85,3.65,;-6.18,2.87,;-6.18,1.33,;-4.85,.57,;-4.1,1.91,;-5.43,2.68,;-2.19,-.98,;-3.53,-1.75,;-3.53,-3.28,;-2.2,-4.06,;-.86,-3.28,;-.86,-1.75,)|

BDBM50198441

CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)c(C)c(C4CCCCC4)c3O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,50.55,48.53,42.46,45.50,wD:41.44,37.39,35.38,38.41,31.34,TLB:51:50:34:4.3.2,51:50:42.35.41:54,32:31:53:54.3.2,43:42:50.53:54,44:42:50.53:54,5:4:50.48:34,34:35:38:42.45.44,THB:1:2:50.48:34,1:2:30.29.31:53,2:54:50.53:42.35.41,4:53:42.35.41:54,29:4:50.48:34,31:34:50.48:4.3.2,42:48:34:4.3.2,48:54:30.29.31:53,35:34:50.48:4.3.2,36:35:50.53:54,(32.63,-18.97,;33.4,-20.3,;34.94,-20.3,;33.72,-22.26,;35.22,-21.86,;35.22,-23.4,;33.89,-24.17,;32.74,-25.2,;31.31,-24.68,;33.06,-26.7,;34.52,-27.17,;34.84,-28.69,;33.69,-29.71,;32.23,-29.24,;31.93,-27.72,;30.47,-27.24,;29.22,-28.14,;29.22,-29.68,;27.98,-27.24,;26.52,-27.71,;28.46,-25.78,;28.16,-24.27,;29.33,-23.25,;29.03,-21.74,;27.57,-21.24,;26.41,-22.26,;26.71,-23.77,;29.99,-25.77,;30.26,-24.34,;33.9,-21.1,;33.9,-19.56,;35.22,-18.78,;34.77,-17.05,;32.79,-16.93,;36.55,-19.56,;37.81,-18.57,;37.69,-17.1,;39.04,-16.53,;40.01,-17.64,;41.54,-17.51,;42.42,-18.77,;39.25,-18.91,;39.91,-20.27,;41.23,-21.04,;43.68,-20.18,;43.68,-16.46,;44.75,-15.37,;46.24,-15.76,;39.31,-21.66,;40.31,-22.82,;37.77,-22.06,;37.46,-23.57,;38.6,-24.59,;36.55,-21.1,;35.96,-17.97,)|

BDBM50198442

CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,44.48,42.46,36.39,39.43,wD:35.37,31.32,29.31,32.34,25.27,TLB:45:44:28:4.3.2,45:44:36.29.35:48,26:25:47:48.3.2,37:36:44.47:48,38:36:44.47:48,5:4:44.42:28,28:29:32:36.39.38,THB:1:2:44.42:28,1:2:24.23.25:47,2:48:44.47:36.29.35,4:47:36.29.35:48,23:4:44.42:28,25:28:44.42:4.3.2,36:42:28:4.3.2,42:48:24.23.25:47,29:28:44.42:4.3.2,30:29:44.47:48,(14.18,3.38,;14.94,2.04,;16.48,2.04,;15.27,.09,;16.77,.48,;16.77,-1.06,;15.43,-1.82,;14.29,-2.85,;12.86,-2.34,;14.61,-4.36,;16.07,-4.83,;16.39,-6.34,;15.24,-7.36,;13.78,-6.89,;13.48,-5.38,;12.01,-4.9,;10.76,-5.8,;10.76,-7.34,;9.52,-4.89,;10.01,-3.44,;8.47,-3.42,;11.54,-3.43,;11.8,-1.99,;15.45,1.24,;15.45,2.78,;16.77,3.56,;16.32,5.3,;14.33,5.42,;18.09,2.78,;19.35,3.78,;19.23,5.25,;20.59,5.82,;21.55,4.7,;23.08,4.84,;23.97,3.57,;20.8,3.44,;21.45,2.07,;22.77,1.3,;25.22,2.16,;25.22,5.88,;26.3,6.98,;27.78,6.59,;20.85,.69,;21.85,-.48,;19.32,.29,;19,-1.22,;20.15,-2.24,;18.1,1.24,;17.5,4.37,)|

BDBM50198443

CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,44.48,42.46,36.39,39.43,wD:35.37,31.32,29.31,32.34,25.27,TLB:26:25:47:48.3.2,45:44:28:4.3.2,45:44:36.29.35:48,37:36:44.47:48,38:36:44.47:48,5:4:44.42:28,28:29:32:36.39.38,THB:2:48:44.47:36.29.35,1:2:44.42:28,1:2:24.23.25:47,4:47:36.29.35:48,23:4:44.42:28,25:28:44.42:4.3.2,36:42:28:4.3.2,42:48:24.23.25:47,29:28:44.42:4.3.2,30:29:44.47:48,(-6.09,1.27,;-5.33,-.06,;-3.79,-.06,;-5,-2.01,;-3.5,-1.62,;-3.5,-3.16,;-4.84,-3.93,;-5.98,-4.95,;-7.41,-4.44,;-5.66,-6.46,;-4.2,-6.93,;-3.88,-8.44,;-5.03,-9.47,;-6.49,-8.99,;-6.79,-7.48,;-8.26,-7,;-9.51,-7.9,;-9.51,-9.44,;-10.75,-7,;-10.26,-5.54,;-11.17,-4.29,;-8.73,-5.53,;-8.47,-4.09,;-4.82,-.86,;-4.82,.68,;-3.5,1.46,;-3.95,3.19,;-5.94,3.32,;-2.18,.68,;-.92,1.67,;-1.04,3.14,;.32,3.71,;1.28,2.6,;2.81,2.74,;3.7,1.47,;.53,1.34,;1.18,-.03,;2.5,-.8,;4.95,.06,;4.95,3.78,;6.03,4.88,;7.51,4.48,;.58,-1.42,;1.58,-2.58,;-.95,-1.81,;-1.27,-3.33,;-.12,-4.34,;-2.18,-.86,;-2.77,2.27,)|

BDBM50198444

CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)c(C)c(C)c3O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,45.49,43.47,37.40,40.44,wD:36.38,32.33,30.32,33.35,26.28,TLB:46:45:29:4.3.2,46:45:37.30.36:49,27:26:48:49.3.2,38:37:45.48:49,39:37:45.48:49,5:4:45.43:29,29:30:33:37.40.39,THB:1:2:45.43:29,1:2:25.24.26:48,2:49:45.48:37.30.36,4:48:37.30.36:49,24:4:45.43:29,26:29:45.43:4.3.2,37:43:29:4.3.2,43:49:25.24.26:48,30:29:45.43:4.3.2,31:30:45.48:49,(-5.77,-17.21,;-5.01,-18.54,;-3.47,-18.54,;-4.69,-20.5,;-3.19,-20.1,;-3.18,-21.64,;-4.52,-22.41,;-5.67,-23.44,;-7.09,-22.92,;-5.35,-24.94,;-3.89,-25.41,;-3.56,-26.93,;-4.72,-27.95,;-6.17,-27.48,;-6.48,-25.96,;-7.94,-25.48,;-8.42,-24.01,;-8.15,-22.57,;-9.95,-24.02,;-9.96,-22.48,;-10.43,-25.48,;-11.89,-25.94,;-9.19,-26.38,;-9.19,-27.92,;-4.51,-19.34,;-4.51,-17.8,;-3.19,-17.02,;-3.64,-15.29,;-5.62,-15.17,;-1.86,-17.8,;-.6,-16.81,;-.72,-15.34,;.63,-14.77,;1.6,-15.88,;3.13,-15.75,;4.01,-17.01,;.84,-17.14,;1.5,-18.51,;2.82,-19.28,;5.27,-18.42,;5.27,-14.7,;6.35,-13.61,;7.83,-14,;.9,-19.9,;1.9,-21.06,;-.63,-20.3,;-.95,-21.81,;.2,-22.82,;-1.86,-19.34,;-2.45,-16.21,)|

BDBM50198445

CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CC(C)(C)C3=O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |TLB:46:45:29:4.3.2,46:45:37.30.36:49,27:26:48:49.3.2,38:37:45.48:49,39:37:45.48:49,5:4:45.43:29,29:30:33:37.40.39,THB:1:2:45.43:29,1:2:25.24.26:48,2:49:45.48:37.30.36,4:48:37.30.36:49,24:4:45.43:29,26:29:45.43:4.3.2,37:43:29:4.3.2,43:49:25.24.26:48,30:29:45.43:4.3.2,31:30:45.48:49|

BDBM50198446

CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)c(C)c(c3O)-c3ccccc3)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,50.55,48.53,42.46,45.50,wD:41.44,37.39,35.38,38.41,31.34,TLB:51:50:34:4.3.2,51:50:42.35.41:54,32:31:53:54.3.2,43:42:50.53:54,44:42:50.53:54,5:4:50.48:34,34:35:38:42.45.44,THB:1:2:50.48:34,1:2:30.29.31:53,2:54:50.53:42.35.41,4:53:42.35.41:54,29:4:50.48:34,31:34:50.48:4.3.2,42:48:34:4.3.2,48:54:30.29.31:53,35:34:50.48:4.3.2,36:35:50.53:54,(12.79,-18.76,;13.55,-20.1,;15.09,-20.1,;13.87,-22.05,;15.37,-21.66,;15.38,-23.2,;14.04,-23.96,;12.89,-24.99,;11.47,-24.48,;13.22,-26.5,;14.67,-26.97,;15,-28.48,;13.84,-29.5,;12.39,-29.03,;12.08,-27.52,;10.62,-27.04,;9.37,-27.94,;9.37,-29.48,;8.13,-27.03,;6.67,-27.5,;8.61,-25.58,;10.14,-25.57,;10.41,-24.13,;8.17,-24.1,;9.24,-22.98,;8.8,-21.5,;7.3,-21.14,;6.24,-22.27,;6.68,-23.74,;14.05,-20.9,;14.05,-19.36,;15.37,-18.58,;14.92,-16.85,;12.94,-16.72,;16.7,-19.36,;17.96,-18.37,;17.84,-16.9,;19.19,-16.33,;20.16,-17.44,;21.69,-17.3,;22.57,-18.57,;19.4,-18.7,;20.06,-20.07,;21.38,-20.84,;23.83,-19.98,;23.83,-16.26,;24.91,-15.16,;26.39,-15.55,;19.46,-21.45,;20.46,-22.62,;17.93,-21.85,;17.61,-23.36,;18.76,-24.38,;16.7,-20.9,;16.11,-17.77,)|

BDBM50475763

CC[N+](CC)(CC)CCOc1ccccc1

BDBM50475764

CC[N+](CC)(CC)CCOc1ccc(C=C)cc1

BDBM50475765

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1ccccc1

BDBM50475766

CC[N+](CC)(CC)CCOc1ccc(CCc2ccccc2)cc1

BDBM50475767

CC[N+](CC)(CC)CCOc1ccc(cc1)C#Cc1ccccc1

BDBM50475768

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1ccc2ccccc2c1

BDBM50475769

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1cccc2ccccc12

BDBM50475770

CC[N+](CC)(CC)CCOc1ccc(C=Cc2cccc3ccccc23)cc1

BDBM50615968

CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc3ccccc3c2)cc1

BDBM50615984

CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccccc2Br)cc1

BDBM50615985

CC[N+](CC)(CC)CCOc1ccc(C=Cc2cccc(Br)c2)cc1

BDBM50615986

CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc(Br)cc2)cc1

BDBM50615969

CC[N+](CC)(CC)CCOc1ccc(C=Cc2cccc(c2)C(F)(F)F)cc1

BDBM50615970

CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc(cc2)C(F)(F)F)cc1

BDBM50615987

CC[N+](CC)(CC)CCOc1ccc(C=Cc2cccc(OC)c2)cc1

BDBM50615971

CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc(OC)cc2)cc1

BDBM50615972

CC[N+](CC)(CC)CCOc1ccc(C=Cc2cccc(O)c2)cc1

BDBM50615973

CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc(O)cc2)cc1

BDBM50615974

CC[N+](CC)(CC)CCOc1ccc(C=Cc2cc(O)cc(O)c2)cc1

BDBM50615975

CC[N+](CC)(CC)CCOc1ccc(OCc2ccccc2)cc1

BDBM50615988

CC[N+](CC)(CC)CCOc1ccc(COc2ccccc2)cc1

BDBM50615976

CC[N+](CC)(CC)CCOc1ccc(NC(=O)c2ccccc2)cc1

BDBM50615977

CC[N+](CC)(CC)CCOc1ccc(cc1)C(=O)Nc1ccccc1

BDBM50615989

CC[N+](CC)(CC)CCOc1ccc(cc1)N=Nc1ccccc1

BDBM50615978

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1nc2ccccc2o1

BDBM50615979

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1nc2ccccc2[nH]1

BDBM50615980

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1ccc2cc[nH]c2c1

BDBM50615981

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1ccc2[nH]ccc2c1

BDBM50615982

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1ccc2occc2c1

BDBM50615983

C[N+]1(C)CC[C@H](C1)Oc1ccc(cc1)-c1ccc2[nH]ccc2c1

BDBM50616842

[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N1)NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|

BDBM50616843

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O |r|

BDBM50616844

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O |r|

BDBM50618164

[H][C@]12C[C@H](CCOC)[C@]3([H])N(C1)CCc1c([nH]c4ccc(OC)cc14)[C@@]3(C2)C(=O)OC |r,TLB:4:3:26.25:10.11,THB:3:8:14.15.13.12:26.1.11,15:25:3.2:10.11,12:10:26.25:3.2|

BDBM50045046

[H][C@@]12CC[C@@]([H])(C1)C(C)(NC)C2(C)C |r|

BDBM50618165

C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50618166

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(O)=O

BDBM50618167

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|

BDBM50618168

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|

BDBM50618169

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|

BDBM50618171

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|

BDBM50296722

Cc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(11.85,5.86,;10.66,4.86,;10.94,3.34,;9.75,2.35,;8.3,2.88,;7.12,1.88,;5.67,2.41,;5.4,3.93,;4.48,1.41,;4.85,-.06,;3.85,.66,;2.47,.59,;2.39,2.31,;3,3.45,;3.07,2.03,;1.77,1.33,;1.47,-.12,;8.03,4.39,;9.2,5.39,)|

BDBM50006613

Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(1.16,-6.38,;2.07,-7.63,;1.43,-9.05,;2.34,-10.28,;3.87,-10.12,;4.51,-8.71,;5.96,-8.23,;7.3,-9.01,;8.63,-8.24,;8.64,-6.69,;7.3,-5.92,;5.97,-6.69,;4.51,-6.22,;4.82,-4.71,;3.36,-5.19,;3.6,-7.47,;9.98,-5.92,;11.17,-6.88,;12.67,-6.54,;13.34,-5.16,;12.67,-3.76,;11.18,-3.42,;9.98,-4.37,;11.27,-4.4,;11.9,-5.97,)|

BDBM50624256

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624257

CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1

BDBM50624258

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1

BDBM50624259

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624260

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624261

BDBM50624262

BDBM50624263

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624264

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624265

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624266

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624267

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624268

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)[C@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624269

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1

BDBM50624270

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624271

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624272

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1

BDBM50624273

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624274

CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624275

CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N1)C(O)=O

BDBM50624276

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624277

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

BDBM50624278

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1

BDBM50624292

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624293

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624294

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624295

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2

BDBM50624296

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624297

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624298

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2

BDBM50624299

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624300

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624301

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624302

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2

BDBM50624303

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624304

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2

BDBM50624305

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624306

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624307

BDBM50624308

BDBM50624309

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624310

CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624311

CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N1)C(O)=O |r|

BDBM50624312

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624313

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50624314

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

BDBM50209212

COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC

BDBM50202340

COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)cc1O |r|

BDBM50209211

COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)c(Br)c1O |r|

BDBM50209214

COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O

BDBM50209213

COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O

BDBM50209215

COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c4-c2cc1OC

BDBM50202318

COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|

BDBM50625907

CCOc1ccc(cc1)[C@H](COC)NC(=O)C1CC11CCc2ccccc12 |r|

BDBM50625908

CCOc1ccc(cc1)[C@H](COC)NC(=O)[C@@H]1C[C@]11CCc2ccccc12 |r|

BDBM50625909

CCOc1ccc(cc1)[C@H](COC)NC(=O)C1CC11CCc2cc(F)ccc12 |r|

BDBM50625910

CCOc1ccc(cc1)[C@H](COC)NC(=O)C1CC11COc2ccc(F)cc12 |r|

BDBM50625911

Fc1ccc(cc1)C1(COC1)NC(=O)C1CC11CCc2ccccc12

BDBM50625912

CCOc1ccc(cc1)[C@H](COC)NC(=O)C1CC11CCc2ccc(F)cc12 |r|

BDBM50625913

Fc1ccc(cc1)C1(COC1)NC(=O)C1CC11CCc2ccc(F)cc12

BDBM50625914

OC[C@H](NC(=O)C1CC11COc2ccccc12)C1CCCCC1 |r|

BDBM50625915

CCOc1ccc(cn1)[C@@H](NC(=O)C1CC11COc2ccc(F)cc12)C(F)F |r|

BDBM50625916

CCOc1ccc(cn1)[C@H](CF)NC(=O)C1CC11COc2ccc(F)cc12 |r|

BDBM50625917

OC[C@H](NC(=O)C1CC11COc2ccc(F)cc12)C1CCCCC1 |r|

BDBM50625918

CCOc1ccc(cc1)[C@H](COC)NC(=O)C1CC11CCCc2ccccc12 |r|

BDBM50631033

FC(F)(F)c1ccc(OCC2CN(C2)C(=O)NCc2cnc3[nH]c(Cl)cc3c2)cc1

BDBM50631034

Cc1cc2cc(CNC(=O)N3CC(COc4ccc(cc4)C(F)(F)F)C3)ccc2[nH]1

BDBM50631035

Cc1cc2cc(CNC(=O)N3CC(COc4ccc(cc4)C(F)(F)F)C3)ccc2n1C

BDBM50631036

FC(F)c1cc2cc(CNC(=O)N3CC(COc4ccc(cc4)C(F)(F)F)C3)ccc2[nH]1

BDBM50631037

Cc1[nH]c2ccc(CNC(=O)N3CC(COc4ccc(C)cc4)C3)cc2c1C

BDBM50631038

FC(F)(F)c1ccc(OCC2CN(C2)C(=O)NCc2ccc3[nH]cc(Cl)c3c2)cc1

BDBM50631039

Cn1cc(Cl)c2cc(CNC(=O)N3CC(COc4ccc(cc4)C(F)(F)F)C3)ccc12

BDBM50631040

Cn1cc(F)c2cc(CNC(=O)N3CC(COc4ccc(nc4)C(F)(F)F)C3)ccc12

BDBM50631041

Cn1cc(C#N)c2cc(CNC(=O)N3CC(COc4ccc(cc4)C(F)(F)F)C3)ccc12

BDBM50631042

FC(F)(F)c1ccc(OCC2CN(C2)C(=O)NCc2cnc3[nH]ccc3c2)cc1

BDBM50631043

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(cc4)C(F)(F)F)C3)cnc12

BDBM50631044

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(Cl)cc4)C3)cnc12

BDBM50631045

Cc1cc2cc(CNC(=O)N3CC(COc4ccc(cc4)C(F)(F)F)C3)cnc2n1C

BDBM50631046

Cn1cc(Cl)c2cc(CNC(=O)N3CC(COc4ccc(cc4)C(F)(F)F)C3)cnc12

BDBM50631047

Cc1cn(C)c2ncc(CNC(=O)N3CC(COc4ccc(cc4)C(F)(F)F)C3)cc12

BDBM50631048

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(cn4)C(F)(F)F)C3)ccc12

BDBM50631049

FC(F)(F)c1ccc(OCC2CN(C2)C(=O)NCc2ccc3[nH]ccc3c2)nc1

BDBM50631050

FC(F)(F)c1ccc(OCC2CN(C2)C(=O)NCc2ccc3[nH]ccc3c2)cn1

BDBM50631051

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(nc4)C(F)(F)F)C3)ccc12

BDBM50631052

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(Cl)c(Cl)c4)C3)ccc12

BDBM50631053

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(F)c(F)c4)C3)ccc12

BDBM50631054

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(F)cc4F)C3)ccc12

BDBM50631055

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(F)c(c4)C#N)C3)ccc12

BDBM50631056

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(F)cc4C#N)C3)ccc12

BDBM50631057

Fc1cc(ccc1OCC1CN(C1)C(=O)NCc1ccc2[nH]ccc2c1)C(F)(F)F

BDBM50631058

Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(c(F)c4)C(F)(F)F)C3)ccc12

BDBM50631059

Fc1cc(OCC2CN(C2)C(=O)NCc2ccc3[nH]ccc3c2)ccc1C(F)(F)F

BDBM50631060

Cn1ccc2cc(CNC(=O)N3CC4(C3)CC(=O)c3ccccc3O4)ccc12

BDBM50631061

Cc1cc2cc(CNC(=O)N3CC4(C3)CC(=O)c3ccccc3O4)ccc2[nH]1

BDBM50631062

Clc1cc2cc(CNC(=O)N3CC4(C3)CC(=O)c3ccccc3O4)ccc2[nH]1

BDBM50631063

Cc1[nH]c2ccc(CNC(=O)N3CC4(C3)CC(=O)c3ccccc3O4)cc2c1Cl

BDBM50631064

Cn1cc(Cl)c2cc(CNC(=O)N3CC4(C3)CC(=O)c3ccccc3O4)ccc12

BDBM50631065

Cc1cc2cc(CNC(=O)N3CC4(C3)CC(=O)c3cc(F)ccc3O4)ccc2[nH]1

BDBM50631066

Cc1cc2cc(CNC(=O)N3CC4(C3)CC(=O)c3ccc(F)cc3O4)ccc2[nH]1

BDBM50631067

Cc1cc2cc(CNC(=O)N3CC4(C3)CC(=O)c3cc(F)cc(F)c3O4)ccc2[nH]1

BDBM50631068

Cn1ccc2cc(CNC(=O)N3CC4(C3)CC(=O)c3ccc(F)cc3O4)ccc12

BDBM50217054

[#6]-[#7]-[#6]-[#6]-c1cn(-[#6]\[#6]=[#6](\[#6])-[#6])c2cc(Br)ccc12

BDBM50217055

CNCCc1c([nH]c2cc(Br)ccc12)C(C)(C)C=C

BDBM50636724

CC[N+]1(CC)CCN(c2ccc(C(=O)N3CCCC3)cc2)CC1

BDBM50636715

CCCNC(=O)c1ccc(N2CC[N+](CC)(CC)CC2)cc1

BDBM50636716

CC[N+]1(CC)CCN(c2ccc(C(=O)Nc3ccccn3)cc2)CC1

BDBM50636725

Cc1cccc(NC(=O)c2ccc(N3CC[N+](C)(C)CC3)cc2)n1

BDBM42410

CC(=O)OCC[N+](C)(C)C

BDBM50636719

CC[N+]1(CC)CCN(c2ccc(NC(=O)c3cccc(C)n3)cc2)CC1

BDBM50636720

CC[N+]1(C)CCN(c2ccc(NC(=O)c3cccc(C)n3)cc2)CC1

BDBM50636726

CC[N+]1(CC)CCN(c2ccc(-n3cccc3)cc2)CC1

BDBM50636723

CC[N+]1(CC)CCN(c2ccc(-n3cccn3)cc2)CC1

BDBM50636722

CC[N+]1(CC)CCN(c2ccc(-c3ncco3)cc2)CC1

BDBM50636718

CC[N+]1(C)CCN(c2ccc(C(=O)Nc3cccc(C)n3)cc2)CC1

BDBM50636717

CC[N+]1(CC)CCN(c2ccc(C(=O)Nc3cccc(C)c3)cc2)CC1

BDBM50636714

CC[N+]1(CC)CCN(c2ccc(C(N)=O)cc2)CC1

BDBM50636727

CC[N+]1(CC)CCN(c2ccc(C(=O)Nc3cccc(C)n3)cc2)CC1

BDBM50221437

CC[C@@H]1CC[C@@H](CCCC#C)N2CCCC[C@@H]12

BDBM50221438

CCCCCC[C@@H]1CC[C@@H](CC)[C@@H]2CCCCN12

BDBM50221439

CC[C@@H]1CC[C@@H](CCCC=C)N2CCCC[C@@H]12

BDBM50221883

CN1CCC[C@H]1c1ccc2ncccc2c1

BDBM50221885

C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1

BDBM50221888

C[N+](C)(C)CCC#Cc1ccc2ncccc2c1

BDBM50221882

C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1

BDBM50221886

CN1CCC[C@@H]1c1ccc2ncccc2c1

BDBM50638380

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

BDBM50638381

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

BDBM50638382

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

BDBM50638383

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O

BDBM50638384

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

BDBM50638385

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

BDBM50638386

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(=O)O

BDBM50641568

CC1=CC[C@@H]2C[C@H]1[C@H](c1ccnc3ccccc13)NC2(C)C

BDBM50641570

CC1=CC[C@@H]2C[C@H]1[C@H](c1cccc3ncccc13)NC2(C)C

BDBM50641582

CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(C(F)(F)F)cc1)NC2(C)C

BDBM50641583

CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(C(C)C)cc1)NC2(C)C

BDBM50641585

CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(C(F)(F)F)c(F)c1)NC2(C)C

BDBM50641586

CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(F)c(C(F)(F)F)c1)NC2(C)C

BDBM50641587

CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(F)c(F)c1)NC2(C)C

BDBM50641588

CC1=CC[C@@H]2C[C@H]1[C@H](c1cc(F)cc(F)c1)NC2(C)C

BDBM50641591

CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)C34C1C(O)([C@@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC

BDBM50642840

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O

BDBM50643631

Cc1ccc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)cc1

BDBM50643632

Cc1cccc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)c1

BDBM50643633

Cc1ccccc1Nc1nc(N)c(C(=O)Nc2c(C)cccc2Cl)s1

BDBM50643634

Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(F)cc2)nc1N

BDBM50643635

Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(OC(F)(F)F)cc2)nc1N

BDBM50643636

Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(Cl)cc2)nc1N

BDBM50643637

Cc1cccc(Cl)c1NC(=O)c1sc(Nc2cccc(Cl)c2)nc1N

BDBM50643638

Cc1cccc(Cl)c1NC(=O)c1sc(Nc2cccc(OC(F)(F)F)c2)nc1N

BDBM50643639

Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccccc2)nc1N

BDBM50643640

Cc1cc(C)cc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)c1

BDBM50643641

Cc1ccc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)cc1C

BDBM50643642

Cc1cc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)ccc1F

BDBM50643643

Cc1ccc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)cc1F

BDBM50643644

Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1N

BDBM50643645

Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(Cl)c(F)c2)nc1N

BDBM50643646

Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(F)c(F)c2)nc1N

BDBM50643647

Cc1ccccc1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1N

BDBM50643648

Cc1cccc(F)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1N

BDBM50643649

Cc1cccc(C)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1N

BDBM50643650

Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C

BDBM50643651

Cc1cccc(C)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C

BDBM50643652

Cc1cccc(F)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C

BDBM50643653

COc1cccc(C)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C

BDBM50643654

Cc1ccccc1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C

BDBM50251047

Cc1cc(O)n(c1O)-c1ccccc1C(=O)OC[C@@H]1CCCN(CCCc2ccccc2)C1 |r,wU:18.19,(12.41,-11.72,;10.96,-12.25,;9.68,-11.39,;8.47,-12.34,;6.99,-11.91,;9,-13.78,;10.53,-13.73,;11.48,-14.95,;8.14,-15.06,;9.47,-15.82,;9.47,-17.37,;8.13,-18.14,;6.8,-17.36,;6.81,-15.82,;5.48,-15.05,;5.48,-13.51,;4.14,-15.81,;2.81,-15.04,;1.48,-15.8,;.15,-15.03,;-1.18,-15.8,;-1.18,-17.34,;.15,-18.11,;.15,-19.65,;1.48,-20.42,;2.81,-19.65,;4.15,-20.42,;4.14,-21.96,;5.47,-22.73,;6.81,-21.96,;6.8,-20.41,;5.47,-19.65,;1.48,-17.34,)|

BDBM50261762

Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12|

BDBM50261765

CN1C2CCC1C(=C2)c1cc(C)no1 |c:7,TLB:8:6:3.4:1|

BDBM50261764

Cc1cc(on1)C1=CC2CCC1N2 |t:7,THB:3:6:9.10:12|

BDBM50261763

Cc1cc(on1)[C@@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12|

BDBM50253820

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50253825

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50253824

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50253823

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50253822

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50253821

CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(O)=O |r|

BDBM50264884

Cc1c(cnn1C1CCNCC1)-c1cc(no1)-c1ccccc1Cl

BDBM50275878

Clc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|

BDBM50275933

CN1C2CC1CN(C2)c1ccc(Cl)nc1 |THB:8:6:1:3|

BDBM50275932

Clc1ccc(nn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|

BDBM50275931

[O-][N+](=O)c1ccc(cc1)N1CC2CC(C1)N2 |TLB:6:9:15:12|

BDBM50275880

Brc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|

BDBM50275879

C1C2CN(CC1N2)c1cccnc1 |TLB:7:3:6:0|

BDBM50254539

CC(CCCC(=O)N(C)C)N(C)C

BDBM50254540

CNC(=O)\C=C\CC(C)N(C)C

BDBM50254541

CC(C\C=C\C(=O)N(C)C)N(C)C

BDBM50254542

CC(CCOC(=S)N(C)C)N(C)C

BDBM50254597

CC(CCSC(=O)N(C)C)N(C)C

BDBM50254598

CC(CCNC(=O)N(C)C)N(C)C

BDBM50254599

CC(CCNC(=O)Nc1ccccc1)N(C)C

BDBM50254600

CN(C)C(CO)CCOC(=O)N(C)C

BDBM50254601

CN(C)C(CCOC(=O)N(C)C)C1CC1

BDBM50254602

CN(C)C(CCOC(=O)N(C)C)c1ccsc1

BDBM50254603

CN(C)C(CCOC(=O)N(C)C)c1ccccc1

BDBM50254604

CC(CCOC(=O)N(C)CCO)N(C)C

BDBM50254605

CC(CCOC(=O)N(C)c1ccccc1)N(C)C

BDBM50254480

CC(CCOC(=O)N(C)c1ccc(Cl)cc1)N(C)C

BDBM50254481

CC(CCOC(=O)N(C)c1ccc(cc1)C#N)N(C)C

BDBM50254482

CC(CCOC(=O)N(C)Cc1ccccc1)N(C)C

BDBM50254483

CC(CCOC(N)=O)N(C)C

BDBM50254484

CCNC(=O)OCCC(C)N(C)C

BDBM50254485

CCCNC(=O)OCCC(C)N(C)C

BDBM50254486

CC(CCOC(=O)NCCO)N(C)C

BDBM50254543

CC(CCOC(=O)NCCCc1ccccc1)N(C)C

BDBM50194314

CN1CCC[C@@H]1[C@H]1COc2ccccc2O1

BDBM50256278

CN1CCC[C@@H]1[C@@H]1COc2ccccc2O1 |r|

BDBM50256279

CN1CCC[C@H]1[C@H]1COc2ccccc2O1 |r|

BDBM50256280

C1CN[C@@H](C1)[C@@H]1COc2ccccc2O1 |r|

BDBM50256281

C1CN[C@H](C1)[C@H]1COc2ccccc2O1 |r|

BDBM50256282

C1CN[C@H](C1)[C@@H]1COc2ccccc2O1 |r|

BDBM50256335

C1CN[C@@H](C1)[C@H]1COc2ccccc2O1 |r|

BDBM50194316

CN1CCC[C@H]1[C@H]1CNC(=O)O1 |r|

BDBM50194313

CN1CCC[C@@H]1[C@@H]1CNC(=O)O1 |r|

BDBM50256181

CN1CCC[C@H]1[C@@H]1CNC(=O)O1 |r|

BDBM50256182

CN1CCC[C@@H]1[C@H]1CNC(=O)O1 |r|

BDBM50143320

Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10|

BDBM50413308

COc1cccc(c1)C1CC(CN2CCCCC2)C(=O)N1C

BDBM50413309

COc1cccc(c1)C1CC(CN2CCCC2)C(=O)N1C

BDBM50413310

CN1C(CC(CN2CCCCC2)C1=O)c1ccccc1Cl

BDBM50413311

CN1C(CC(CN2CCCCCC2)C1=O)c1ccccc1Cl

BDBM50413312

COc1ccccc1C1CC(CN2CCCCC2)C(=O)N1C

BDBM50413313

COc1ccc(cc1)C1CC(CN2CCCCC2)C(=O)N1C

BDBM50413314

CN1C(CC(CN2CCCCC2)C1=O)c1cccc(Cl)c1

BDBM50413315

CN1C(CC(CN2CCCCC2)C1=O)c1ccc(Cl)cc1

BDBM50413316

CN1C(CC(CN2CCCCC2)C1=O)c1ccc(Br)cc1

BDBM50413317

CN1C(CC(CN2CCCCC2)C1=O)c1ccc(C)cc1

BDBM50413318

CN1C(CC(CN2CCCCC2)C1=O)c1ccc(cc1)C1CCCCC1

BDBM50413319

CN1C(CC(CN2CCCCC2)C1=O)c1ccc(cc1)C1CCCC1

BDBM50413320

CN1C(CC(CN2CCCCC2)C1=O)c1ccc(cc1)-c1ccccc1

BDBM50413321

CN1C(CC(CN2CCCCC2)C1=O)c1ccc(cc1)-c1ccccc1F

BDBM50413322

CN1C(CC(CN2CCCCC2)C1=O)c1ccc(cc1)-c1ccccc1Cl

BDBM50413323

CN1C(CC(CN2CCCCC2)C1=O)c1cnc(s1)-c1ccccc1Cl

BDBM50413324

CN1C(CC(CN2CCCCC2)C1=O)c1ccc(s1)-c1ccccc1Cl

BDBM50413325

CN1C(CC(CN2CCCCC2)C1=O)c1cc(C)c(s1)-c1ccccc1Cl

BDBM50413326

CN1C(CC(CN2CCCCC2)C1=O)c1nc(c[nH]1)-c1ccccc1Cl

BDBM50413327

CN1C(CC(CN2CCCCC2)C1=O)c1nc(cn1C)-c1ccccc1Cl

BDBM50413328

CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccccc1Cl

BDBM50413329

CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccccc1C

BDBM50247983

CN1[C@@H](C[C@H](CN2CCCCC2)C1=O)C#Cc1ccccc1 |r|

BDBM50413330

CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2n(C)ccc2c1

BDBM50413331

CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2occc2c1

BDBM50413332

CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2OCCc2c1

BDBM50248045

C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F |r,wD:6.5,1.0,(32.55,-17.37,;32.55,-18.91,;33.89,-19.68,;35.22,-18.9,;35.21,-17.36,;36.56,-19.67,;37.89,-18.89,;37.87,-17.35,;39.21,-16.58,;40.54,-17.35,;40.54,-18.89,;39.22,-19.66,;38.48,-18.3,;39.97,-17.9,;31.22,-19.69,;31.23,-21.24,;29.89,-22.01,;28.56,-21.24,;28.56,-19.69,;29.89,-18.92,;29.88,-17.38,)|

BDBM50267844

C[N+]1([C@H]2CC[C@@H]1CC(C2)OC3c4ccccc4CCc5c3cccc5)C

BDBM50267883

C(N1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1

BDBM50250147

CCOC(=O)c1cc(-c2ccc(Br)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50250148

Cc1c(cc(-c2ccc(Cl)cc2)n1-c1ccc(cc1)S(N)(=O)=O)C(O)=O

BDBM50250149

Cc1c(cc(-c2ccc(Cl)cc2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)c1ccc(C)cc1

BDBM50250150

Cc1c(cc(-c2ccc(Cl)cc2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)c1ccc(Cl)c(C)c1

BDBM50250184

COc1ccc(F)cc1C(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50250185

Cc1c(cc(-c2ccc(Cl)cc2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)c1ccc(Cl)cc1

BDBM50250188

Cc1c(cc(-c2ccc(Cl)cc2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)C1CC1

BDBM50249600

CC(C)CC(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50249601

CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50249602

CCN(C)C(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50249603

CC(C)N(C)C(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50249604

Cc1c(cc(-c2ccc(Cl)cc2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCC1

BDBM50249625

Cc1c(cc(-c2ccc(Cl)cc2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCCC1

BDBM50249655

Cc1c(cc(-c2ccc(Cl)cc2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCOCC1

BDBM50249656

CCCN(CCO)C(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

BDBM50279242

O=c1cccc2[C@@H]3C[C@@H](CN(CCCc4ccccc4)C3)Cn12 |r|

BDBM50279206

O=c1cccc2[C@@H]3C[C@@H](CN(CCc4ccccc4)C3)Cn12 |r|

BDBM50279367

CCCCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|

BDBM50279176

Fc1ccc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r|

BDBM50279177

O=c1cccc2[C@@H]3C[C@@H](CN(Cc4cccnc4)C3)Cn12 |r|

BDBM50279178

O=c1cccc2[C@@H]3C[C@@H](CN(Cc4ccncc4)C3)Cn12 |r|

BDBM50279209

O=c1cccc2[C@@H]3C[C@@H](CN(CCc4ccccn4)C3)Cn12 |r|

BDBM50279245

O=c1cccc2[C@@H]3C[C@@H](CN(CCCc4cccnc4)C3)Cn12 |r|

BDBM50279175

O=c1cccc2[C@@H]3C[C@@H](CN(Cc4ccccc4)C3)Cn12 |r|

BDBM50279207

Fc1ccc(CCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r|

BDBM50279208

Cc1ccc(CCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r|

BDBM50279243

Fc1ccc(CCCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r|

BDBM50279244

Cc1ccc(CCCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r|

BDBM50279276

Fc1ccc(CCCCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r|

BDBM50279330

O=C(CCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 |r|

BDBM50279331

Fc1ccc(cc1)C(=O)CCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|

BDBM50279332

NC(=O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|

BDBM50279334

NS(=O)(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|

BDBM50279366

CC(=O)CCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|

BDBM50279280

Fc1ccc(cc1)C(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|

BDBM50279279

O=C(CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 |r|

BDBM50240956

CC(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|

BDBM50279277

O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 |r|

BDBM50279333

NC(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|

BDBM50279210

O=c1cccc2[C@@H]3C[C@@H](CN(CCc4ccncc4)C3)Cn12 |r|

BDBM50292175

Clc1ccc(cn1)[C@@H]1CC2CC1CN2 |TLB:4:7:13.12:10|

BDBM50292176

Clc1ccc(cn1)[C@@H]1CC2CNC1C2 |THB:4:7:13:11.10|

BDBM50194071

Clc1ccc(cn1)C1CC2CC1CN2 |TLB:4:7:13.12:10|

BDBM50194069

Clc1ccc(cn1)C1CC2CNC1C2 |THB:4:7:13:11.10|

BDBM50119774

Cc1ccc[n+](CCCCCCCCCCCC[n+]2cccc(C)c2)c1

BDBM50300793

CC(C)Oc1ccccc1-c1ccc(NC(=O)CCCCN2CCCCC2)cc1

BDBM50300794

Fc1ccc(c(F)c1)-c1ccc(NC(=O)CCCCN2CCCCC2)cc1

BDBM50300795

CC(=O)N1CCCN(CCCCC(=O)Nc2ccc(cc2)-c2cccnc2)CC1

BDBM50300796

O=C(CCCCN1CCCCCC1)Nc1ccc(cc1)-c1cccnc1

BDBM50300797

CCN(CC)C(=O)C1CCCN(CCCCC(=O)Nc2ccc(cc2)-c2cccnc2)C1

BDBM50300798

CN1CCN(CCCCC(=O)Nc2ccc(cc2)-c2cccnc2)CC1

BDBM50300799

CN(CCCCC(=O)Nc1ccc(cc1)-c1cccnc1)CCc1ccccn1

BDBM50300800

CC(=O)N1CCN(CCCCC(=O)Nc2ccc(cc2)-c2cccnc2)CC1

BDBM50300801

COc1ccccc1N1CCN(CCCCC(=O)Nc2ccc(cc2)-c2cccnc2)CC1

BDBM50300802

O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1

BDBM50300803

O=C(CCCCN1CCCCC1)Nc1ccc(cc1)-c1cccnc1

BDBM50300804

COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)[N+]([O-])=O)CC2)c(OC)c1

BDBM50300805

COc1ccc(N2CCN(CCCCNC(=O)c3ccc(Br)cc3)CC2)c(OC)c1

BDBM50300806

COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3)CC2)c(OC)c1

BDBM50300807

COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3OC)CC2)c(OC)c1

BDBM50300808

COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3C)CC2)c(OC)c1

BDBM50300809

COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3Cl)CC2)c(OC)c1

BDBM50300810

COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3F)CC2)c(OC)c1

BDBM50300811

COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c(OC)c1

BDBM50300812

Brc1cccc(c1)-c1ccc(NC(=O)CCCCN2CCCCC2)cc1

BDBM50300813

CC(=O)Nc1cccc(c1)-c1ccc(NC(=O)CCCCN2CCCCC2)cc1

BDBM50300814

CC(=O)c1cccc(c1)-c1ccc(NC(=O)CCCCN2CCCCC2)cc1

BDBM50300815

NC(=O)c1cccc(c1)-c1ccc(NC(=O)CCCCN2CCCCC2)cc1

BDBM50300816

Cc1cccc(NC(=O)CCCCN2CCCCC2)c1

BDBM50300817

O=C(CCCCN1CCCCC1)Nc1ccc(cc1)-c1ccc2OCOc2c1

BDBM50300818

O=C(CCCCN1CCCCC1)Nc1ccc(cc1)-c1ccc2ncccc2c1

BDBM50300819

Brc1ccc(cc1)-c1ccc(NC(=O)CCCCN2CCCCC2)cc1

BDBM50036166

C1CN2CCC1C(=C2)c1cccnc1 |c:7,THB:8:6:4.3:0.1,(-3.23,-2.16,;-4,-3.38,;-2.35,-2.5,;-2.35,-1.13,;-1.52,-.29,;-1.51,-1.39,;.03,-2.32,;-.76,-3.46,;1.54,-2,;2.57,-3.14,;4.08,-2.83,;4.56,-1.36,;3.52,-.21,;2.01,-.52,)|

BDBM50302793

C[N+]12CCC(CC1)C(C2)c1ccc(nc1)N1CCOCC1 |THB:9:7:2.3:6.5,(7.34,-23.87,;7.59,-22.23,;5.92,-22.94,;5.71,-21.44,;7.3,-20.74,;7.38,-18.97,;7.86,-20.17,;8.77,-21.4,;9.06,-22.91,;9.97,-20.44,;9.92,-18.91,;11.23,-18.11,;12.59,-18.84,;12.63,-20.38,;11.32,-21.18,;13.9,-18.03,;15.25,-18.76,;16.56,-17.96,;16.52,-16.42,;15.17,-15.68,;13.85,-16.49,)|

BDBM50302794

C1CN(CCO1)c1ccc(cn1)C1CN2CCC1CC2 |THB:9:12:15.16:19.18,(3.32,-11.34,;2.01,-12.14,;.67,-11.41,;.61,-9.88,;1.93,-9.07,;3.28,-9.81,;-.64,-12.22,;-2,-11.49,;-3.3,-12.3,;-3.25,-13.82,;-1.91,-14.56,;-.6,-13.76,;-4.46,-14.78,;-4.16,-16.29,;-5.64,-15.6,;-7.29,-16.32,;-7.5,-14.82,;-5.92,-14.12,;-5.84,-12.35,;-5.36,-13.55,)|

BDBM50302795

C[N+]12CCC(CC1)C(=C2)c1ccc(nc1)N1CCOCC1 |c:8,THB:9:7:2.3:6.5,(7.34,-23.86,;7.58,-22.21,;5.92,-22.92,;5.71,-21.43,;7.3,-20.73,;7.37,-18.95,;7.86,-20.15,;8.76,-21.39,;9.07,-22.89,;9.97,-20.42,;9.92,-18.9,;11.22,-18.09,;12.58,-18.82,;12.62,-20.36,;11.32,-21.16,;13.89,-18.01,;15.24,-18.75,;16.55,-17.94,;16.51,-16.4,;15.16,-15.67,;13.84,-16.48,)|

BDBM50302796

C1CN(CCO1)c1ccc(cn1)C1=CN2CCC1CC2 |t:14,THB:9:12:15.16:19.18,(20.17,.95,;18.87,.15,;17.52,.88,;17.47,2.41,;18.78,3.22,;20.14,2.48,;16.22,.07,;14.86,.8,;13.56,-.01,;13.61,-1.53,;14.95,-2.27,;16.26,-1.47,;12.4,-2.49,;12.7,-4,;11.22,-3.31,;9.56,-4.03,;9.35,-2.53,;10.94,-1.83,;11.02,-.06,;11.5,-1.26,)|

BDBM50302797

C1CC2NC1C=C2c1ccc(nc1)N1CCOCC1 |c:6,THB:7:6:0.1:3|

BDBM50296730

O=C(Oc1ccccc1)N1CCN2CCC1CC2 |TLB:1:9:14.13:16.17,(-5.08,4.31,;-5.08,2.76,;-3.74,1.99,;-2.4,2.77,;-1.06,2,;.28,2.77,;.27,4.32,;-1.08,5.09,;-2.41,4.31,;-6.42,1.98,;-6.05,.51,;-7.06,1.23,;-8.44,1.16,;-8.52,2.88,;-7.9,4.03,;-7.83,2.61,;-9.13,1.9,;-9.44,.45,)|

BDBM50309862

C1CN2CCC1N(CC2)c1nc2ccccc2o1 |TLB:9:6:0.1:4.3,(3.81,3.82,;3.19,2.68,;3.27,.97,;2.28,.27,;2.58,1.71,;3.87,2.41,;5.28,1.79,;5.65,.32,;4.64,1.04,;6.61,2.56,;8.11,2.15,;8.96,3.43,;10.49,3.66,;11.05,5.11,;10.07,6.32,;8.55,6.08,;7.99,4.64,;6.55,4.09,)|

BDBM50309863

Fc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(22.74,5.07,;21.21,4.83,;20.23,6.04,;18.71,5.8,;18.15,4.37,;16.71,3.82,;16.77,2.29,;18.27,1.88,;19.12,3.16,;20.65,3.39,;15.44,1.51,;15.81,.04,;14.8,.77,;13.43,.7,;13.35,2.4,;13.97,3.55,;14.03,2.13,;12.74,1.43,;12.44,-.01,)|

BDBM50309864

Clc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(33.87,4.67,;32.34,4.44,;31.36,5.65,;29.84,5.41,;29.28,3.97,;27.84,3.42,;27.9,1.89,;29.4,1.48,;30.25,2.76,;31.78,2.99,;26.57,1.11,;26.94,-.35,;25.94,.37,;24.56,.3,;24.48,2.01,;25.1,3.15,;25.16,1.74,;23.87,1.03,;23.57,-.41,)|

BDBM50309865

Brc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(.18,-3.78,;-1.35,-4.01,;-2.33,-2.8,;-3.85,-3.04,;-4.41,-4.48,;-5.85,-5.03,;-5.79,-6.56,;-4.3,-6.97,;-3.44,-5.69,;-1.92,-5.46,;-7.12,-7.33,;-6.75,-8.8,;-7.76,-8.08,;-9.13,-8.15,;-9.21,-6.44,;-8.59,-5.3,;-8.53,-6.71,;-9.82,-7.41,;-10.12,-8.86,)|

BDBM50309866

Cc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(11.7,-3.08,;10.17,-3.31,;9.19,-2.1,;7.67,-2.34,;7.11,-3.78,;5.67,-4.33,;5.73,-5.86,;7.23,-6.27,;8.08,-4.99,;9.61,-4.76,;4.4,-6.63,;4.77,-8.1,;3.76,-7.38,;2.39,-7.45,;2.31,-5.74,;2.93,-4.6,;2.99,-6.01,;1.7,-6.71,;1.4,-8.15,)|

BDBM50309867

Cc1ccc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(21.08,.1,;20.52,-1.35,;21.5,-2.56,;20.93,-4,;19.41,-4.23,;18.55,-5.51,;17.06,-5.1,;17,-3.57,;18.44,-3.02,;19,-1.59,;15.73,-5.88,;16.1,-7.34,;15.09,-6.62,;13.72,-6.69,;13.64,-4.99,;14.26,-3.84,;14.32,-5.25,;13.03,-5.96,;12.73,-7.4,)|

BDBM50309868

C1CN2CCC1N(CC2)c1nc2ncccc2o1 |TLB:9:6:0.1:4.3,(27.22,-2.94,;26.61,-4.09,;26.68,-5.8,;25.69,-6.51,;25.99,-5.06,;27.29,-4.36,;28.7,-4.98,;29.07,-6.45,;28.06,-5.73,;30.03,-4.21,;31.53,-4.62,;32.38,-3.34,;33.91,-3.1,;34.48,-1.66,;33.5,-.45,;31.97,-.69,;31.42,-2.12,;29.97,-2.67,)|

BDBM50309869

C1CN2CCC1N(CC2)c1nc2cnccc2o1 |TLB:9:6:0.1:4.3,(-8.72,-14.81,;-9.34,-15.95,;-9.26,-17.66,;-10.25,-18.37,;-9.95,-16.93,;-8.65,-16.22,;-7.24,-16.85,;-6.87,-18.32,;-7.88,-17.59,;-5.91,-16.07,;-4.41,-16.48,;-3.56,-15.2,;-2.03,-14.96,;-1.46,-13.52,;-2.44,-12.31,;-3.97,-12.55,;-4.53,-13.99,;-5.97,-14.53,)|

BDBM50309870

C1CN2CCC1N(CC2)c1nc2ccncc2o1 |TLB:9:6:0.1:4.3,(2.9,-13.33,;2.28,-14.48,;2.36,-16.19,;1.37,-16.9,;1.67,-15.45,;2.96,-14.75,;4.37,-15.37,;4.74,-16.84,;3.74,-16.12,;5.71,-14.6,;7.2,-15.01,;8.06,-13.72,;9.59,-13.49,;10.15,-12.04,;9.18,-10.83,;7.65,-11.07,;7.09,-12.51,;5.65,-13.06,)|

BDBM50309871

C1CN2CCC1N(CC2)c1nc2cccnc2o1 |TLB:9:6:0.1:4.3,(13.79,-11.99,;13.17,-13.13,;13.25,-14.84,;12.26,-15.55,;12.56,-14.11,;13.86,-13.4,;15.27,-14.03,;15.64,-15.5,;14.63,-14.77,;16.6,-13.25,;18.1,-13.66,;18.95,-12.38,;20.48,-12.14,;21.05,-10.7,;20.07,-9.49,;18.54,-9.73,;17.98,-11.17,;16.54,-11.71,)|

BDBM50309872

Brc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(31.84,-7.59,;31.28,-9.04,;32.26,-10.25,;31.7,-11.69,;30.17,-11.93,;29.32,-13.21,;27.82,-12.8,;27.76,-11.26,;29.2,-10.72,;29.76,-9.28,;26.49,-13.57,;26.86,-15.04,;25.85,-14.32,;24.48,-14.39,;24.4,-12.68,;25.02,-11.54,;25.08,-12.95,;23.79,-13.65,;23.49,-15.09,)|

BDBM50309873

Clc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(-1.41,-19.11,;-1.97,-20.56,;-.99,-21.77,;-1.55,-23.21,;-3.08,-23.45,;-3.94,-24.73,;-5.43,-24.32,;-5.49,-22.78,;-4.05,-22.24,;-3.49,-20.8,;-6.76,-25.09,;-6.39,-26.56,;-7.4,-25.84,;-8.78,-25.91,;-8.85,-24.2,;-8.23,-23.06,;-8.17,-24.47,;-9.47,-25.17,;-9.77,-26.61,)|

BDBM50309874

Fc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(8.59,-18.46,;8.03,-19.91,;9,-21.12,;8.44,-22.56,;6.91,-22.8,;6.06,-24.08,;4.57,-23.67,;4.5,-22.13,;5.95,-21.59,;6.5,-20.15,;3.23,-24.44,;3.6,-25.91,;2.6,-25.19,;1.22,-25.26,;1.14,-23.55,;1.76,-22.41,;1.82,-23.82,;.53,-24.52,;.23,-25.96,)|

BDBM50309875

Cc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(18.8,-18.14,;18.24,-19.59,;19.22,-20.8,;18.66,-22.24,;17.13,-22.47,;16.28,-23.76,;14.78,-23.34,;14.72,-21.81,;16.16,-21.26,;16.72,-19.83,;13.45,-24.12,;13.82,-25.59,;12.81,-24.86,;11.44,-24.93,;11.36,-23.23,;11.98,-22.08,;12.04,-23.5,;10.75,-24.2,;10.45,-25.64,)|

BDBM50309876

CCc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:7:11:16.15:18.19,(30.33,-18.3,;28.77,-18.33,;28.02,-19.69,;28.99,-20.9,;28.43,-22.34,;26.9,-22.57,;26.05,-23.85,;24.56,-23.44,;24.5,-21.91,;25.94,-21.36,;26.49,-19.93,;23.23,-24.22,;23.59,-25.68,;22.59,-24.96,;21.21,-25.03,;21.14,-23.33,;21.76,-22.18,;21.82,-23.6,;20.52,-24.3,;20.22,-25.74,)|

BDBM50309877

CCC(C)c1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:9:13:18.17:20.21,(.6,-27.45,;-.16,-28.81,;-1.71,-28.84,;-2.51,-27.51,;-2.46,-30.2,;-1.49,-31.4,;-2.05,-32.84,;-3.58,-33.08,;-4.43,-34.36,;-5.92,-33.95,;-5.98,-32.41,;-4.54,-31.87,;-3.99,-30.43,;-7.25,-34.72,;-6.88,-36.19,;-7.89,-35.46,;-9.26,-35.53,;-9.34,-33.83,;-8.72,-32.69,;-8.66,-34.1,;-9.95,-34.8,;-10.25,-36.24,)|

BDBM50309878

C1CN2CCC1N(CC2)c1nc2ncc(cc2o1)-c1ccccc1 |TLB:9:6:0.1:4.3,(.58,-33.05,;-.04,-34.19,;.04,-35.89,;-.95,-36.59,;-.65,-35.16,;.64,-34.46,;2.04,-35.08,;2.41,-36.54,;1.4,-35.82,;3.36,-34.31,;4.85,-34.72,;5.7,-33.44,;7.22,-33.21,;7.78,-31.77,;6.8,-30.57,;5.29,-30.81,;4.74,-32.24,;3.3,-32.78,;7.56,-29.22,;9.11,-29.2,;9.86,-27.86,;9.07,-26.53,;7.52,-26.55,;6.77,-27.9,)|

BDBM50309861

Cc1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(20.91,-29.51,;19.38,-29.74,;18.4,-28.53,;16.88,-28.77,;16.32,-30.21,;14.88,-30.76,;14.94,-32.29,;16.44,-32.7,;17.29,-31.42,;18.82,-31.19,;13.61,-33.07,;13.98,-34.53,;12.97,-33.81,;11.6,-33.88,;11.52,-32.18,;12.14,-31.03,;12.2,-32.44,;10.91,-33.15,;10.61,-34.59,)|

BDBM50309879

Clc1cnc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(32.86,-26.98,;31.33,-27.22,;30.35,-26.01,;28.83,-26.25,;28.27,-27.69,;26.83,-28.23,;26.89,-29.77,;28.39,-30.18,;29.24,-28.9,;30.77,-28.66,;25.56,-30.54,;25.93,-32.01,;24.92,-31.29,;23.55,-31.36,;23.47,-29.65,;24.09,-28.51,;24.15,-29.92,;22.85,-30.62,;22.55,-32.06,)|

BDBM50309880

C1CN2CCC1N(CC2)c1nc2cc(cnc2o1)-c1ccccc1 |TLB:9:6:0.1:4.3,(-10.27,-43.52,;-10.9,-44.66,;-10.81,-46.36,;-11.81,-47.07,;-11.51,-45.63,;-10.21,-44.93,;-8.8,-45.55,;-8.44,-47.01,;-9.44,-46.29,;-7.48,-44.78,;-5.99,-45.19,;-5.14,-43.91,;-3.61,-43.68,;-3.05,-42.24,;-4.03,-41.03,;-5.55,-41.27,;-6.1,-42.7,;-7.54,-43.25,;-1.71,-41.48,;-.39,-42.27,;.96,-41.51,;.97,-39.96,;-.37,-39.18,;-1.71,-39.94,)|

BDBM50309881

Cc1ccc2nc(oc2n1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(8.89,-38.74,;8.34,-40.19,;9.31,-41.4,;8.75,-42.84,;7.22,-43.07,;6.37,-44.35,;4.87,-43.94,;4.81,-42.41,;6.26,-41.86,;6.81,-40.43,;3.54,-44.72,;3.91,-46.18,;2.91,-45.46,;1.53,-45.53,;1.45,-43.83,;2.07,-42.68,;2.13,-44.09,;.84,-44.8,;.54,-46.24,)|

BDBM50309882

N#Cc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:7:11:16.15:18.19,(18.05,-37.42,;17.5,-38.87,;16.94,-40.32,;17.92,-41.53,;17.36,-42.97,;15.83,-43.2,;14.98,-44.48,;13.48,-44.07,;13.42,-42.54,;14.86,-41.99,;15.42,-40.56,;12.15,-44.85,;12.52,-46.31,;11.51,-45.59,;10.14,-45.66,;10.06,-43.96,;10.68,-42.81,;10.74,-44.22,;9.45,-44.93,;9.15,-46.37,)|

BDBM50309883

C1CN2CCC1N(CC2)c1nc2ncc(cc2o1)-c1cc[nH]n1 |TLB:9:6:0.1:4.3,(22.19,-41.04,;21.57,-42.18,;21.65,-43.89,;20.66,-44.59,;20.96,-43.15,;22.25,-42.45,;23.66,-43.07,;24.03,-44.54,;23.02,-43.82,;24.99,-42.3,;26.48,-42.71,;27.33,-41.43,;28.86,-41.2,;29.42,-39.76,;28.45,-38.55,;26.92,-38.79,;26.37,-40.22,;24.93,-40.77,;28.93,-37.07,;30.39,-36.6,;30.41,-35.04,;28.93,-34.55,;28.01,-35.81,)|

BDBM50309884

C1CN2CCC1N(CC2)c1nc2ncc(cc2o1)-c1cccnc1 |TLB:9:6:0.1:4.3,(-8.88,-.92,;-9.5,-2.06,;-9.42,-3.76,;-10.43,-4.47,;-10.12,-3.03,;-8.82,-2.33,;-7.41,-2.95,;-7.05,-4.42,;-8.05,-3.7,;-6.09,-2.18,;-4.59,-2.59,;-3.74,-1.31,;-2.22,-1.07,;-1.65,.37,;-2.63,1.57,;-4.15,1.33,;-4.71,-.1,;-6.15,-.65,;-2.15,3.05,;-3.19,4.2,;-2.71,5.67,;-1.19,6,;-.15,4.85,;-.63,3.37,)|

BDBM50309885

C1CN2CCC1N(CC2)c1nc2ncc(cc2o1)-c1cncnc1 |TLB:9:6:0.1:4.3,(2.08,-1.36,;1.46,-2.5,;1.54,-4.2,;.55,-4.91,;.85,-3.47,;2.14,-2.77,;3.55,-3.39,;3.91,-4.86,;2.91,-4.14,;4.88,-2.62,;6.37,-3.03,;7.22,-1.75,;8.75,-1.51,;9.31,-.07,;8.33,1.13,;6.81,.89,;6.26,-.54,;4.82,-1.09,;8.81,2.61,;10.33,2.93,;10.82,4.41,;9.78,5.56,;8.25,5.24,;7.77,3.76,)|

BDBM50309886

C1CN2CCC1N(CC2)c1nc2ncc(Oc3ccccc3)cc2o1 |TLB:9:6:0.1:4.3,(12.67,-1.62,;12.06,-2.77,;12.13,-4.47,;11.15,-5.17,;11.44,-3.73,;12.74,-3.03,;14.14,-3.65,;14.51,-5.12,;13.51,-4.4,;15.47,-2.88,;16.96,-3.29,;17.81,-2.01,;19.34,-1.78,;19.9,-.34,;18.92,.87,;19.48,2.32,;20.83,3.08,;22.17,2.29,;23.52,3.05,;23.53,4.6,;22.18,5.39,;20.84,4.62,;17.4,.63,;16.85,-.81,;15.41,-1.35,)|

BDBM50309887

Cc1nc2nc(oc2cc1F)N1CCN2CCC1CC2 |TLB:5:11:16.15:18.19,(31.85,-.7,;30.32,-.94,;29.76,-2.38,;28.23,-2.62,;27.38,-3.9,;25.89,-3.49,;25.83,-1.95,;27.27,-1.41,;27.82,.03,;29.35,.27,;29.91,1.72,;24.56,-4.26,;24.92,-5.73,;23.92,-5.01,;22.54,-5.08,;22.47,-3.37,;23.08,-2.23,;23.15,-3.64,;21.85,-4.34,;21.55,-5.78,)|

BDBM50309888

Cc1nc2nc(oc2cc1Cl)N1CCN2CCC1CC2 |TLB:5:11:16.15:18.19,(1.04,-10.22,;-.49,-10.46,;-1.05,-11.9,;-2.58,-12.13,;-3.43,-13.41,;-4.92,-13,;-4.98,-11.47,;-3.54,-10.92,;-2.99,-9.49,;-1.46,-9.25,;-.9,-7.79,;-6.25,-13.78,;-5.89,-15.24,;-6.89,-14.52,;-8.27,-14.59,;-8.34,-12.89,;-7.73,-11.74,;-7.66,-13.15,;-8.96,-13.86,;-9.26,-15.3,)|

BDBM50309889

CCc1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:7:11:16.15:18.19,(12.49,-11.15,;11.52,-9.95,;9.99,-10.18,;9.01,-8.97,;7.49,-9.21,;6.93,-10.65,;5.49,-11.2,;5.55,-12.73,;7.05,-13.14,;7.9,-11.86,;9.43,-11.63,;4.22,-13.5,;4.59,-14.97,;3.58,-14.25,;2.21,-14.32,;2.13,-12.61,;2.75,-11.47,;2.81,-12.88,;1.52,-13.58,;1.22,-15.03,)|

BDBM50309890

CC(C)c1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:8:12:17.16:19.20,(22.84,-11.83,;22.02,-10.51,;22.76,-9.15,;20.48,-10.55,;19.5,-9.35,;17.98,-9.59,;17.42,-11.02,;15.98,-11.57,;16.04,-13.1,;17.53,-13.51,;18.39,-12.23,;19.91,-12,;14.71,-13.87,;15.08,-15.34,;14.07,-14.62,;12.7,-14.69,;12.62,-12.98,;13.24,-11.84,;13.3,-13.25,;12.01,-13.96,;11.71,-15.4,)|

BDBM50309891

C1CCC(C1)c1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:10:14:19.18:21.22,(36.18,-10.06,;35.94,-8.53,;34.41,-8.28,;33.71,-9.66,;34.8,-10.75,;32.18,-9.9,;31.21,-8.69,;29.69,-8.93,;29.13,-10.36,;27.69,-10.91,;27.75,-12.44,;29.24,-12.85,;30.1,-11.57,;31.62,-11.34,;26.42,-13.21,;26.79,-14.68,;25.79,-13.96,;24.41,-14.03,;24.34,-12.33,;24.95,-11.18,;25.02,-12.59,;23.72,-13.3,;23.42,-14.73,)|

BDBM50309892

C1CN2CCC1N(CC2)c1nc2nc(ccc2o1)-c1ccccc1 |TLB:9:6:0.1:4.3,(-8.33,-22.75,;-8.95,-23.89,;-8.87,-25.59,;-9.86,-26.3,;-9.56,-24.86,;-8.27,-24.16,;-6.86,-24.78,;-6.49,-26.25,;-7.5,-25.53,;-5.53,-24.01,;-4.04,-24.42,;-3.19,-23.14,;-1.66,-22.9,;-1.1,-21.46,;-2.07,-20.26,;-3.6,-20.5,;-4.15,-21.93,;-5.59,-22.48,;.25,-20.71,;1.57,-21.5,;2.92,-20.74,;2.94,-19.2,;1.6,-18.41,;.26,-19.17,)|

BDBM50309893

Fc1ccccc1-c1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:12:16:21.20:23.24,(13.59,-22.93,;13.62,-21.39,;14.96,-20.63,;14.98,-19.08,;13.64,-18.29,;12.3,-19.05,;12.29,-20.59,;10.94,-21.35,;9.97,-20.14,;8.45,-20.38,;7.89,-21.81,;6.45,-22.36,;6.51,-23.89,;8,-24.3,;8.86,-23.02,;10.38,-22.79,;5.18,-24.67,;5.55,-26.13,;4.55,-25.41,;3.17,-25.48,;3.1,-23.78,;3.71,-22.63,;3.77,-24.05,;2.48,-24.75,;2.18,-26.19,)|

BDBM50309894

COc1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:7:11:16.15:18.19,(28.27,-20.16,;26.94,-19.37,;25.59,-20.13,;24.61,-18.93,;23.09,-19.17,;22.53,-20.6,;21.09,-21.15,;21.15,-22.68,;22.64,-23.09,;23.5,-21.81,;25.02,-21.58,;19.82,-23.46,;20.19,-24.92,;19.18,-24.2,;17.8,-24.27,;17.73,-22.57,;18.35,-21.42,;18.41,-22.83,;17.11,-23.54,;16.81,-24.98,)|

BDBM50309895

C1CN2CCC1N(CC2)c1nc2nc(Oc3ccccc3)ccc2o1 |TLB:9:6:0.1:4.3,(28.2,-22.15,;27.59,-23.29,;27.66,-25,;26.67,-25.7,;26.97,-24.26,;28.26,-23.56,;29.67,-24.18,;30.04,-25.65,;29.04,-24.93,;31,-23.41,;32.49,-23.82,;33.35,-22.54,;34.87,-22.31,;35.43,-20.87,;36.78,-20.11,;38.11,-20.89,;38.09,-22.44,;39.42,-23.23,;40.77,-22.47,;40.78,-20.92,;39.45,-20.13,;34.46,-19.66,;32.94,-19.9,;32.38,-21.33,;30.94,-21.88,)|

BDBM50309896

C1CCN(CC1)c1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:11:15:20.19:22.23,(5.16,-33.93,;4.36,-35.26,;2.82,-35.24,;2.07,-33.89,;2.85,-32.56,;4.4,-32.58,;.53,-33.87,;-.35,-32.59,;-1.89,-32.71,;-2.56,-34.09,;-4.03,-34.52,;-4.1,-36.05,;-2.64,-36.58,;-1.69,-35.37,;-.15,-35.26,;-5.48,-36.72,;-5.23,-38.21,;-6.18,-37.41,;-7.55,-37.37,;-7.49,-35.67,;-6.79,-34.58,;-6.84,-35.99,;-8.18,-36.59,;-8.6,-38,)|

BDBM50309897

C1CCN(C1)c1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:10:14:19.18:21.22,(20.91,-33.41,;20.89,-31.87,;19.42,-31.41,;18.52,-32.67,;19.45,-33.91,;16.98,-32.69,;16,-31.49,;14.48,-31.72,;13.92,-33.16,;12.48,-33.7,;12.54,-35.24,;14.04,-35.65,;14.89,-34.37,;16.41,-34.13,;11.22,-36.01,;11.58,-37.48,;10.58,-36.75,;9.2,-36.82,;9.13,-35.12,;9.75,-33.98,;9.81,-35.39,;8.51,-36.09,;8.21,-37.53,)|

BDBM50312545

Clc1ncc(cc1-c1ccccc1)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:4:13:16.17:19|

BDBM50312546

Fc1ccc(cc1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:9:14:17.18:20|

BDBM50312547

Fc1cccc(c1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:9:14:17.18:20|

BDBM50312548

Clc1ccc(cc1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:9:14:17.18:20|

BDBM50312549

Clc1cccc(c1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:9:14:17.18:20|

BDBM50312550

Clc1ncc(cc1-c1cccc(Br)c1)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:4:14:17.18:20|

BDBM50312551

[O-][N+](=O)c1ccc(cc1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:11:16:19.20:22|

BDBM50312552

[O-][N+](=O)c1cccc(c1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:11:16:19.20:22|

BDBM50312553

Nc1ccc(cc1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:9:14:17.18:20|

BDBM50312554

Nc1cccc(c1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:9:14:17.18:20|

BDBM50312555

COc1ccc(cc1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:10:15:18.19:21|

BDBM50312556

COc1cccc(c1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:10:15:18.19:21|

BDBM50312557

CN(C)c1cccc(c1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:11:16:19.20:22|

BDBM50319673

Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1

BDBM50319670

O=C(CCCCCN1CCCCC1)Nc1ccc(cc1)-c1cccnc1

BDBM50319671

O=C(NCCCCN1CCCCC1)Nc1ccc(cc1)-c1cccnc1

BDBM50319672

O=C(NCCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1

BDBM50319674

O=C(NCCCCN1CCCCC1)Nc1ccc(cc1)-c1ccccc1

BDBM50319675

COc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1

BDBM50319676

Fc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1

BDBM50319677

Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1

BDBM50319678

Fc1ccc(cn1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1

BDBM50319679

O=C(NCCCCN1CCCCC1)Nc1ccc(cc1)-c1ccccn1

BDBM50319680

O=C(NCCCCN1CCCCC1)Nc1ccc(nc1)-c1ccccc1

BDBM50319681

COc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1

BDBM50319682

Fc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1

BDBM50319683

Fc1ccc(cn1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1

BDBM50319684

O=C(NCCCCN1CCCCC1)Nc1ccc(nc1)-c1ccccn1

BDBM50319927

Clc1ccc(nn1)N1C[C@@H]2C[C@H]1CN2 |r|

BDBM50319928

Clc1ccc(nn1)N1C[C@H]2C[C@@H]1CN2 |r|

BDBM50319929

CN1C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1 |r|

BDBM50319930

CN1C[C@H]2C[C@@H]1CN2c1ccc(Cl)nn1 |r|

BDBM50319931

C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1 |r|

BDBM50319932

C1N[C@H]2C[C@@H]1N(C2)c1ccc(nn1)-c1ccccc1 |r|

BDBM50319933

C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r|

BDBM50319934

CN1C[C@H]2C[C@@H]1CN2c1ccc(nn1)-c1ccccc1 |r|

BDBM50319935

C[N+]1(C)C[C@H]2C[C@@H]1CN2c1ccc(nn1)-c1ccccc1 |r|

BDBM50319936

CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r|

BDBM50319937

CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2occc2c1 |r|

BDBM50319938

CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2sccc2c1 |r|

BDBM50319939

CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]ncc2c1 |r|

BDBM50319940

CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]ccc2c1 |r|

BDBM50319941

CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|

BDBM50319942

CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1cccc2[nH]ccc12 |r|

BDBM50319943

CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2cc[nH]c2c1 |r|

BDBM50319944

CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]c(C)cc2c1 |r|

BDBM50319945

CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccccc1 |r|

BDBM50319946

CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2occc2c1 |r|

BDBM50319947

CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2sccc2c1 |r|

BDBM50319948

CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2[nH]ncc2c1 |r|

BDBM50319949

CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2[nH]ccc2c1 |r|

BDBM50319950

CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|

BDBM50319951

CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1cccc2[nH]ccc12 |r|

BDBM50319952

CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2cc[nH]c2c1 |r|

BDBM50319953

CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccccc1 |r|

BDBM50319954

CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2occc2c1 |r|

BDBM50319955

CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2sccc2c1 |r|

BDBM50319956

CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2[nH]ncc2c1 |r|

BDBM50319957

CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2[nH]ccc2c1 |r|

BDBM50319958

CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|

BDBM50319959

CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1cccc2[nH]ccc12 |r|

BDBM50319960

CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccccc1 |r|

BDBM50319961

CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2occc2c1 |r|

BDBM50319962

CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2sccc2c1 |r|

BDBM50319963

CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]ncc2c1 |r|

BDBM50319964

CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]ccc2c1 |r|

BDBM50319965

CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|

BDBM50319966

CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1cccc2[nH]ccc12 |r|

BDBM50319967

CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2cc[nH]c2c1 |r|

BDBM50320526

Nc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:10|

BDBM50320553

COc1cccc(\C=C2/CCCN=C2c2cccnc2)c1 |c:12|

BDBM50320557

Oc1cccc(\C=C2/CCCN=C2c2cccnc2)c1 |c:11|

BDBM50320540

COc1ccc(CC2CCCN=C2c2cccnc2)c(OC)c1 |c:11|

BDBM50320542

COc1cc(ccc1C=C1CCCN=C1c1cccnc1)C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.8,c:14|

BDBM50320565

COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC(C)C)c1 |c:11|

BDBM50264117

COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1 |c:15|

BDBM50320556

COc1ccc2cc(\C=C3/CCCN=C3c3cccnc3)ccc2c1 |c:13|

BDBM50320541

CC(C)(C)Oc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:14|

BDBM50320538

C1CN=C(\C(C1)=C\c1cc2ccccc2o1)c1cccnc1 |c:2|

BDBM50320551

FC(F)(F)Oc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:14|

BDBM50320530

CNc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:11|

BDBM50320560

Oc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:10|

BDBM50320564

COc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:11|

BDBM50320533

Cc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:10|

BDBM50320559

COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(O)c1 |c:11|

BDBM50320567

Oc1ccc(\C=C2/CCCN=C2c2cccnc2)c(O)c1 |c:10|

BDBM50320528

CCN(CC)c1ccc(\C=C2/CCCN=C2c2cccnc2)c(O)c1 |c:14|

BDBM50320534

Cc1cc(O)cc(C)c1\C=C1/CCCN=C1c1cccnc1 |c:15|

BDBM50320529

CCC(CC)Oc1cc(OC)ccc1\C=C1/CCCN=C1c1cccnc1 |c:20|

BDBM50320558

COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC(C)=O)c1 |c:11|

BDBM50320547

FC(F)Oc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:13|

BDBM50320531

CN(C)c1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:12|

BDBM50320568

C1CN=C(\C(C1)=C\c1ccc2OCCOc2c1)c1cccnc1 |c:2|

BDBM50320536

COc1cc(\C=C2/CCCN=C2c2cccnc2)cc(OC)c1OC |c:10|

BDBM50320548

C1CN=C(\C(C1)=C\c1ccccc1)c1cccnc1 |c:2|

BDBM50320532

C1CN=C(\C(C1)=C\c1ccc(cc1)N1CCOCC1)c1cccnc1 |c:2|

BDBM50320569

CC(=O)Oc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:13|

BDBM50320527

C1Oc2ccc(\C=C3/CCCN=C3c3cccnc3)cc2O1 |c:11|

BDBM50320525

CSc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:11|

BDBM50320544

Clc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:10|

BDBM50320550

C1CN=C(\C(C1)=C\c1ccc(cc1)-n1ccnn1)c1cccnc1 |c:2|

BDBM50320566

CC(=O)Nc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:13|

BDBM50320562

OCCN(CCO)c1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:16|

BDBM50320546

CC(C)(C)C(=O)Oc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:16|

BDBM50320554

Cc1cc(\C=C2/CCCN=C2c2cccnc2)cc(C)c1O |c:9|

BDBM50320549

Cc1cc(C)c(\C=C2/CCCN=C2c2cccnc2)c(C)c1 |c:11|

BDBM50320535

CC(=O)c1ccc(C=C2CCCN=C2c2cccnc2)cc1 |w:7.6,c:12|

BDBM50320563

COc1cc(OC)c(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:13|

BDBM50320539

CCCCOc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:14|

BDBM50320545

CC(=O)Oc1ccccc1\C=C1/CCCN=C1c1cccnc1 |c:16|

BDBM50320552

CCCc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:12|

BDBM50320543

N#Cc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:11|

BDBM50320537

FC(F)(F)Oc1ccccc1\C=C1/CCCN=C1c1cccnc1 |c:17|

BDBM50320561

FC(F)Oc1ccccc1\C=C1/CCCN=C1c1cccnc1 |c:16|

BDBM50320555

CC(C)(C)C(=O)Oc1ccccc1\C=C1/CCCN=C1c1cccnc1 |c:19|

BDBM50323585

Clc1cccc(Cn2cc(nn2)C(=O)NCC2CCN(Cc3ccccc3)CC2)c1

BDBM50323586

CN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cn(Cc2ccccc2Cl)nn1

BDBM50323587

CCCc1c(cnn1-c1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1

BDBM50329578

Brc1ccc2[C@H]3CNC[C@H](C3)Cn2c1=O |r|

BDBM50329580

FC(F)(F)c1ccc2[C@H]3CNC[C@H](C3)Cn2c1=O |r,TLB:6:7:13:9.11.10,THB:16:15:13:9.11.10|

BDBM50329581

Cc1ccc2[C@H]3CNC[C@H](C3)Cn2c1=O |r,TLB:3:4:10:6.8.7,THB:13:12:10:6.8.7|

BDBM50329582

BrN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|

BDBM50329583

IN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 |r,TLB:11:13:4:6.1.2,THB:8:7:4:6.1.2,0:1:7.13.14:4|

BDBM50331011

CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4|

BDBM50331016

C(N1CC2CCC1CC(=C2)c1cccnc1)c1ccccc1 |c:9|

BDBM50332834

COC1=NO[C@H](C1)[C@@H]1CCCN1 |r,t:2|

BDBM50332835

COC1=NO[C@@H](C1)[C@@H]1CCCN1 |r,t:2|

BDBM50332836

COC1=NO[C@H](C1)[C@@H]1CCCN1C |r,t:2|

BDBM50332837

CC(C)(C)OC1=NO[C@@H](C1)[C@@H]1CCCN1 |r,t:5|

BDBM50332838

CC1=NO[C@H](C1)[C@@H]1CCCN1 |r,t:1|

BDBM50332839

CC1=NO[C@@H](C1)[C@@H]1CCCN1 |r,t:1|

BDBM50332840

CN1CCC[C@H]1[C@H]1CC(C)=NO1 |r,c:10|

BDBM50332841

BrC1=NO[C@H](C1)[C@@H]1CCCN1 |r,t:1|

BDBM50332842

CN1CCC[C@H]1[C@H]1CC(Br)=NO1 |r,c:10|

BDBM50336020

CC(COc1ccc(\C=C/c2ccccc2)cc1)[N+](C)(C)C

BDBM50339001

Brc1ccc(OC(=O)N2CCCN3CCC[C@H]3C2)cc1 |r|

BDBM50339002

C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc2OCCOc2c1 |r|

BDBM50339003

CC(C)N1CCCCN(CC1)C(=O)c1ccc(Cl)cc1

BDBM50339004

Clc1ccc(cc1)C(=O)NCC12CCCN1CCC2

BDBM50296742

Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(1.51,4.96,;.33,3.96,;.6,2.44,;-.59,1.45,;-2.03,1.98,;-3.21,.98,;-4.67,1.51,;-4.94,3.03,;-5.85,.51,;-5.48,-.96,;-6.49,-.24,;-7.87,-.31,;-7.95,1.4,;-7.33,2.56,;-7.26,1.14,;-8.56,.43,;-8.86,-1.01,;-2.31,3.49,;-1.14,4.49,)|

BDBM50339931

Cc1cc[n+](CC#Cc2ccc(cc2)-c2ccc(cc2)C#CC[n+]2ccc(C)c(C)c2)cc1C

BDBM50339932

C(CC#Cc1cc(cc(c1)C#CCCC[n+]1cccc(c1)-c1ccccc1)C#CCCC[n+]1cccc(c1)-c1ccccc1)C[n+]1cccc(c1)-c1ccccc1

BDBM50339933

C(CC#Cc1cc(C#CCCC[n+]2cccc(c2)-c2ccccc2)c(cc1C#CCCC[n+]1cccc(c1)-c1ccccc1)C#CCCC[n+]1cccc(c1)-c1ccccc1)C[n+]1cccc(c1)-c1ccccc1

BDBM50339934

Cc1cc[n+](CCCc2ccc(cc2)-c2ccc(CCC[n+]3ccc(C)c(C)c3)cc2)cc1C

BDBM50339935

C(CCc1cc(CCCCC[n+]2cccc3ccccc23)cc(CCCCC[n+]2cccc3ccccc23)c1)CC[n+]1cccc2ccccc12

BDBM50339936

C(CCc1cc(CCCCC[n+]2ccc3ccccc3c2)cc(CCCCC[n+]2ccc3ccccc3c2)c1)CC[n+]1ccc2ccccc2c1

BDBM50339937

C(CCc1cc(CCCCC[n+]2cccc(c2)-c2ccccc2)cc(CCCCC[n+]2cccc(c2)-c2ccccc2)c1)CC[n+]1cccc(c1)-c1ccccc1

BDBM50339938

C(CCc1cc(CCCCC[n+]2cccc(c2)-c2ccccc2)c(CCCCC[n+]2cccc(c2)-c2ccccc2)cc1CCCCC[n+]1cccc(c1)-c1ccccc1)CC[n+]1cccc(c1)-c1ccccc1

BDBM50346168

O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O |r|

BDBM50346172

C(C1CC2CCN1CC2)c1cccnc1 |(-4.02,-14.82,;-2.68,-15.59,;-1.35,-14.83,;-.02,-15.61,;-.03,-17.15,;-1.37,-17.91,;-2.69,-17.13,;-1.18,-16.89,;-1.65,-15.85,;-5.36,-15.59,;-6.68,-14.81,;-8.01,-15.59,;-8.01,-17.12,;-6.68,-17.89,;-5.36,-17.12,)|

BDBM50346173

C(C1CC2CCN1CC2)c1cncnc1 |(25.75,-14.83,;27.08,-15.6,;28.41,-14.84,;29.74,-15.61,;29.74,-17.16,;28.39,-17.92,;27.07,-17.14,;28.58,-16.9,;28.12,-15.85,;24.41,-15.59,;24.41,-17.13,;23.08,-17.9,;21.75,-17.13,;21.75,-15.59,;23.08,-14.82,)|

BDBM50346174

C1C[C@H](CN1)\C=C\c1cccnc1 |r|

BDBM50346176

C1CN2CCC1CC2c1cccnc1 |(-1.29,-30.86,;-1.3,-32.41,;-2.64,-33.17,;-2.24,-31.8,;-3.17,-31.34,;-2.63,-30.09,;-3.97,-30.85,;-3.97,-32.4,;-5.31,-33.16,;-6.63,-32.39,;-7.97,-33.16,;-7.97,-34.7,;-6.63,-35.47,;-5.31,-34.7,)|

BDBM50346177

C1CN2CCC1CC2c1cncnc1 |(29.21,-30.96,;29.2,-32.51,;27.86,-33.26,;28.26,-31.9,;27.33,-31.43,;27.87,-30.18,;26.53,-30.94,;26.53,-32.49,;25.19,-33.26,;25.19,-34.8,;23.86,-35.56,;22.53,-34.8,;22.53,-33.26,;23.86,-32.48,)|

BDBM50346178

CN1C2CCC1C=C(C2)c1cccnc1 |c:7|

BDBM50346179

CN1C2CCC1C=C(C2)c1cncnc1 |c:7|

BDBM50352783

Cc1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:7|

BDBM50352784

CCc1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:8|

BDBM50352785

CC(C)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:9|

BDBM50352786

C1C[C@H]2N[C@@H]1CCC=C2c1cc(no1)-c1ccccc1 |r,c:8|

BDBM50352787

CCOC(=O)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:11|

BDBM50352788

Cc1cc(on1)[C@@]1(O)CCC[C@@H]2CC[C@H]1N2 |r|

BDBM50352789

Cc1cc(on1)[C@]1(O)CCC[C@@H]2CC[C@H]1N2 |r|

BDBM50352790

Cc1noc2CC[C@@H]3CC[C@@H](N3)c12 |r|

BDBM50352791

CCOC(=O)c1noc2CC[C@@H]3CC[C@@H](N3)c12 |r|

BDBM50353944

C(Cc1nc2ccccc2[nH]1)N1CCC(CC1)c1ccccc1

BDBM50353945

CC1NCCOC1c1ccc(Cl)cc1

BDBM50353946

C(Cc1cc2ccccc2[nH]1)N1CCC(CC1)c1ccccc1

BDBM50353947

CC1CCN(CCc2cc3ccccc3[nH]2)CC1

BDBM50353948

NCC(c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)cc1

BDBM50353949

CN(C)C(c1ccc(C)cc1)c1ccc(C)cc1

BDBM50419176

Cc1ccccc1C(OCCN1CCCCC1)c1ccccc1

BDBM50419185

C[N+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1

BDBM50419187

CN1CCN(Cc2ccccc2Sc2ccccc2)CC1

BDBM50419188

C(N1CCCC1)c1ccccc1Sc1ccccc1

BDBM74511

C(N1CCCCC1)c1csc2ccccc12

BDBM50419180

Cc1ccc(cc1)C(OCC1CCC[N+](C)(C)C1)c1ccccc1

BDBM50419191

CSc1[nH]c2ccccc2c1CN1CCCCC1

BDBM50356464

O=C1CC(=NCC2(CN3CCC2CC3)N1)c1ccccc1 |c:3,(-2.77,3.88,;-2.45,2.37,;-.95,2.01,;-.31,.61,;-.99,-.78,;-2.51,-1.1,;-3.7,-.11,;-3.7,-1.66,;-5.03,-2.42,;-6.36,-1.66,;-6.36,-.12,;-5.03,.66,;-4.28,-.67,;-5.62,-1.43,;-3.68,1.42,;1.22,.59,;1.97,-.76,;3.51,-.79,;4.3,.54,;3.54,1.89,;2.01,1.9,)|

BDBM50356465

COc1ccccc1C1=NCC2(CN3CCC2CC3)NC(=O)C1 |t:9,(18.3,-3.46,;17.56,-2.11,;18.34,-.8,;19.88,-.82,;20.68,.5,;19.92,1.85,;18.38,1.87,;17.6,.55,;16.07,.57,;15.38,-.82,;13.86,-1.14,;12.67,-.15,;12.67,-1.7,;11.34,-2.46,;10.01,-1.7,;10.01,-.16,;11.34,.62,;12.09,-.71,;10.76,-1.47,;12.7,1.38,;13.92,2.33,;13.6,3.84,;15.42,1.97,)|

BDBM50356466

COc1cccc(c1)C1=NCC2(CN3CCC2CC3)NC(=O)C1 |t:9,(38.71,-2.13,;37.17,-2.11,;36.43,-.76,;37.22,.56,;36.46,1.91,;34.92,1.93,;34.14,.61,;34.89,-.74,;32.61,.63,;31.92,-.75,;30.41,-1.08,;29.21,-.09,;29.21,-1.63,;27.88,-2.4,;26.55,-1.63,;26.55,-.09,;27.88,.68,;28.64,-.65,;27.3,-1.41,;29.24,1.45,;30.47,2.39,;30.14,3.9,;31.97,2.03,)|

BDBM50356467

COc1ccc(cc1)C1=NCC2(CN3CCC2CC3)NC(=O)C1 |t:9,(6.56,-10.44,;5.77,-11.76,;4.24,-11.74,;3.45,-13.07,;1.91,-13.04,;1.16,-11.69,;1.95,-10.38,;3.48,-10.39,;-.37,-11.67,;-1.06,-13.06,;-2.57,-13.38,;-3.77,-12.4,;-3.77,-13.94,;-5.1,-14.7,;-6.42,-13.94,;-6.42,-12.4,;-5.1,-11.62,;-4.34,-12.95,;-5.68,-13.71,;-3.74,-10.86,;-2.51,-9.91,;-2.84,-8.4,;-1.01,-10.27,)|

BDBM50356468

Brc1ccc(s1)C1=NCC2(CN3CCC2CC3)NC(=O)C1 |t:7,(21.14,-13.08,;19.9,-12.16,;19.93,-10.62,;18.47,-10.12,;17.55,-11.35,;18.43,-12.61,;16,-11.34,;15.32,-12.72,;13.8,-13.05,;12.61,-12.06,;12.61,-13.6,;11.28,-14.37,;9.95,-13.6,;9.95,-12.06,;11.28,-11.29,;12.03,-12.62,;10.69,-13.38,;12.63,-10.52,;13.86,-9.58,;13.54,-8.07,;15.36,-9.94,)|

BDBM50356469

O=C1CC(=NCC2(CN3CCC2CC3)N1)c1cccs1 |c:3,(28.98,-7.66,;29.3,-9.16,;30.8,-9.52,;31.44,-10.93,;30.75,-12.31,;29.24,-12.63,;28.05,-11.65,;28.04,-13.19,;26.72,-13.95,;25.39,-13.19,;25.39,-11.65,;26.72,-10.87,;27.47,-12.2,;26.13,-12.97,;28.07,-10.11,;32.99,-10.94,;33.91,-9.71,;35.37,-10.21,;35.34,-11.75,;33.87,-12.2,)|

BDBM50356470

O=C1CC(=NCC2(CN3CCC2CC3)N1)c1ccco1 |c:3,(-1.44,-20.48,;-1.12,-21.98,;.38,-22.34,;1.02,-23.74,;.34,-25.13,;-1.18,-25.45,;-2.37,-24.47,;-2.37,-26.01,;-3.7,-26.77,;-5.03,-26.01,;-5.03,-24.47,;-3.7,-23.69,;-2.95,-25.02,;-4.29,-25.78,;-2.35,-22.93,;2.57,-23.76,;3.49,-22.53,;4.95,-23.02,;4.92,-24.56,;3.45,-25.02,)|

BDBM50356471

Oc1c(oc2ccccc12)C1=NC2(CN1)CN1CCC2CC1 |t:12,(1.48,-2.66,;1.8,-1.16,;.78,-.01,;1.55,1.32,;3.06,1,;4.3,1.89,;5.7,1.27,;5.86,-.27,;4.61,-1.17,;3.21,-.53,;-.76,-.17,;-1.78,.98,;-3.19,.36,;-3.03,-1.17,;-1.53,-1.5,;-4.53,-.41,;-5.86,.36,;-5.86,1.89,;-4.52,2.66,;-3.18,1.9,;-3.96,.58,;-5.29,1.36,)|

BDBM50356472

Nc1c(oc2ccccc12)C1=NC2(CN1)CN1CCC2CC1 |t:12,(17.47,-38.07,;17.87,-36.58,;16.89,-35.39,;17.73,-34.09,;19.22,-34.49,;20.51,-33.66,;21.87,-34.35,;21.96,-35.9,;20.66,-36.73,;19.3,-36.03,;15.35,-35.48,;14.51,-36.77,;13.03,-36.37,;12.95,-34.83,;14.38,-34.28,;13.03,-37.92,;11.7,-38.68,;10.37,-37.92,;10.37,-36.38,;11.7,-35.6,;12.45,-36.93,;11.11,-37.69,)|

BDBM50356473

Oc1ccccc1C1=NCC2(CN3CCC2CC3)N1 |t:8,(7.52,-.14,;6.43,.95,;6.82,2.44,;5.73,3.53,;4.24,3.12,;3.85,1.63,;4.94,.55,;4.54,-.93,;5.51,-2.13,;4.67,-3.42,;3.18,-3.03,;3.18,-4.57,;1.86,-5.34,;.52,-4.57,;.52,-3.03,;1.86,-2.25,;2.61,-3.58,;1.27,-4.35,;3.1,-1.49,)|

BDBM50357061

CN1CCC[C@H]1[C@H]1COc2ccc(Br)cc2O1 |r|

BDBM50357066

CN1CCC[C@@H]1[C@H]1COc2ccc(O)cc2O1 |r|

BDBM50357067

CN1CCC[C@@H]1[C@@H]1COc2ccc(O)cc2O1 |r|

BDBM50357068

Oc1ccc2OC[C@H](Oc2c1)[C@@H]1CCCN1 |r|

BDBM50357069

Oc1ccc2OC[C@@H](Oc2c1)[C@@H]1CCCN1 |r|

BDBM50357070

Oc1ccc2OC[C@@H](Oc2c1)[C@H]1CCCN1 |r|

BDBM50357071

Oc1ccc2OC[C@H](Oc2c1)[C@H]1CCCN1 |r|

BDBM50357072

COc1ccc2OC[C@H](Oc2c1)[C@@H]1CCCN1C |r|

BDBM50357073

COc1ccc2OC[C@@H](Oc2c1)[C@@H]1CCCN1C |r|

BDBM50357074

CC(C)Oc1ccc2OC[C@H](Oc2c1)[C@@H]1CCCN1C |r|

BDBM50357075

CC(C)Oc1ccc2OC[C@@H](Oc2c1)[C@@H]1CCCN1C |r|

BDBM50357076

CN1CCC[C@H]1[C@H]1COc2ccc(CO)cc2O1 |r|

BDBM50357077

CN1CCC[C@H]1[C@@H]1COc2ccc(cc2O1)C(C)=O |r|

BDBM50357078

CN1CCC[C@H]1[C@H]1COc2ccc(cc2O1)C(C)=O |r|

BDBM50357079

CN1CCC[C@H]1[C@@H]1COc2ccc(Br)cc2O1 |r|

BDBM50357080

CN1CCC[C@H]1[C@@H]1COc2ccc(C)cc2O1 |r|

BDBM50357081

CN1CCC[C@H]1[C@H]1COc2ccc(C)cc2O1 |r|

BDBM50357082

CN1CCC[C@H]1[C@@H]1COc2ccc(CO)cc2O1 |r|

BDBM50358019

BrC1=NOC2(C1)C[NH+]1CCC2CC1 |t:1,(-.22,2.73,;-1.69,2.25,;-2.93,3.16,;-4.18,2.25,;-3.7,.79,;-2.16,.79,;-3.7,-.75,;-5.03,-1.52,;-6.36,-.75,;-6.36,.79,;-5.03,1.56,;-5.82,.23,;-4.28,-.18,)|

BDBM50358020

COC1=NOC2(C1)C[NH+]1CCC2CC1 |t:2,(16.18,3.94,;15.86,2.43,;14.39,1.96,;13.15,2.87,;11.9,1.96,;12.38,.5,;13.92,.5,;12.37,-1.04,;11.04,-1.8,;9.71,-1.04,;9.71,.5,;11.04,1.28,;10.26,-.05,;11.8,-.47,)|

BDBM50358021

C1C(=NOC11C[NH+]2CCC1CC2)c1ccccc1 |c:1,(30.53,-.08,;31,1.39,;29.76,2.29,;28.51,1.39,;28.99,-.08,;28.99,-1.62,;27.66,-2.38,;26.33,-1.62,;26.33,-.08,;27.66,.7,;26.87,-.63,;28.41,-1.04,;32.34,2.15,;33.67,1.37,;35,2.13,;35.01,3.67,;33.67,4.45,;32.34,3.68,)|

BDBM50358022

C[N+]12CCC(CC1)C1(CC(Br)=NO1)C2 |c:11,(-5.4,-13.78,;-5.38,-12.24,;-6.71,-11.48,;-6.71,-9.94,;-5.38,-9.16,;-6.17,-10.49,;-4.63,-10.9,;-4.05,-9.94,;-2.51,-9.94,;-2.04,-8.48,;-.57,-8,;-3.28,-7.57,;-4.53,-8.48,;-4.05,-11.48,)|

BDBM50358023

COC1=NOC2(C1)C[N+]1(C)CCC2CC1 |t:2,(12.27,-6.73,;11.95,-8.24,;10.49,-8.71,;9.24,-7.8,;7.99,-8.71,;8.47,-10.17,;10.01,-10.17,;8.47,-11.71,;7.14,-12.48,;7.12,-14.02,;5.81,-11.71,;5.81,-10.17,;7.14,-9.4,;6.35,-10.73,;7.89,-11.14,)|

BDBM50358024

BrC1=NOC2(C[NH+]3CCC2C3)C1 |t:1|

BDBM50358025

COC1=NOC2(C[NH+]3CCC2C3)C1 |t:2|

BDBM50358026

C1C[NH+]2CC1C1(C2)CC(=NO1)c1ccccc1 |c:10|

BDBM50358027

C[N+]12CCC(C1)C1(CC(Br)=NO1)C2 |c:10|

BDBM50358028

COC1=NOC2(C1)C[N+]1(C)CCC2C1 |t:2|

BDBM50358029

C[N+]12CCC(C1)C1(CC(=NO1)c1ccccc1)C2 |c:9|

BDBM50358030

C[NH+]1CCCC2(CC(Br)=NO2)C1 |c:8|

BDBM50358031

COC1=NOC2(C1)CCC[NH+](C)C2 |t:2|

BDBM50358032

C[NH+]1CCCC2(CC(=NO2)c2ccccc2)C1 |c:7|

BDBM50358033

C[N+]1(C)CCCC2(CC(Br)=NO2)C1 |c:9|

BDBM50358034

COC1=NOC2(C1)CCC[N+](C)(C)C2 |t:2|

BDBM50358035

C[N+]1(C)CCCC2(CC(=NO2)c2ccccc2)C1 |c:8|

BDBM50358036

BrC1=NOC2(C1)CCC[NH2+]C2 |t:1|

BDBM50358037

COC1=NOC2(C1)CCC[NH2+]C2 |t:2|

BDBM50358038

C1C(=NOC11CCC[NH2+]C1)c1ccccc1 |c:1|

BDBM50364858

CN(C)CCOc1ccc2-c3ccc(OCCN(C)C)cc3C(=O)c2c1

BDBM50364859

CC(C)N(CCOc1ccc2-c3ccc(OCCN(C(C)C)C(C)C)cc3C(=O)c2c1)C(C)C

BDBM50364860

O=C1c2cc(OCCN3CCCC3)ccc2-c2ccc(OCCN3CCCC3)cc12

BDBM50364861

O=C1c2cc(OCCN3CCCCC3)ccc2-c2ccc(OCCN3CCCCC3)cc12

BDBM50364862

CN1CCC[C@H]1COc1ccc2-c3ccc(OC[C@@H]4CCCN4C)cc3C(=O)c2c1 |r|

BDBM50364863

CN1CCC[C@@H]1COc1ccc2-c3ccc(OC[C@H]4CCCN4C)cc3C(=O)c2c1 |r|

BDBM50364864

CN1CC[C@@H]1COc1ccc2-c3ccc(OC[C@H]4CCN4C)cc3C(=O)c2c1 |r|

BDBM50364865

O=C1c2cc(O[C@@H]3CCNC3)ccc2-c2ccc(O[C@@H]3CCNC3)cc12 |r|

BDBM50364866

CN1CC[C@H](C1)Oc1ccc2-c3ccc(O[C@@H]4CCN(C)C4)cc3C(=O)c2c1 |r|

BDBM50364867

CN1CCC(CC1)Oc1ccc2-c3ccc(OC4CCN(C)CC4)cc3C(=O)c2c1

BDBM50364868

CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1ccc2-c3ccc(O[C@H]4C[C@@H]5CC[C@H](C4)N5C)cc3C(=O)c2c1 |r,TLB:0:1:7.6.8:3.4,27:26:19.25.20:22.23|

BDBM50364869

O=C1c2cc(O[C@H]3CN4CCC3CC4)ccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc12 |r,wD:6.5,22.24,(11.17,-6.37,;11.16,-7.92,;9.89,-8.83,;8.39,-8.51,;7.36,-9.65,;5.91,-9.1,;4.69,-9.8,;3.47,-9.08,;2.24,-9.77,;2.23,-11.2,;3.45,-11.92,;4.69,-11.22,;3.86,-10.06,;3.3,-11.36,;7.82,-11.13,;9.34,-11.46,;10.37,-10.31,;11.93,-10.32,;12.96,-11.48,;14.48,-11.15,;14.96,-9.67,;16.37,-9.47,;17.24,-10.58,;16.71,-11.89,;17.59,-13,;18.99,-12.8,;19.52,-11.48,;18.64,-10.37,;17.63,-11.36,;18.99,-11.72,;13.93,-8.53,;12.42,-8.83,)|

BDBM50364870

O=C1c2cc(O[C@@H]3CN4CCC3CC4)ccc2-c2ccc(O[C@@H]3CN4CCC3CC4)cc12 |r,wU:6.5,22.24,(11.09,-6.31,;11.09,-7.85,;9.82,-8.77,;8.32,-8.45,;7.29,-9.58,;5.84,-9.03,;4.64,-9.76,;3.4,-9.08,;2.21,-9.81,;2.23,-11.22,;3.47,-11.9,;4.68,-11.17,;3.82,-10.05,;3.3,-11.35,;7.75,-11.05,;9.26,-11.38,;10.3,-10.24,;11.85,-10.24,;12.88,-11.4,;14.39,-11.09,;14.87,-9.61,;16.27,-9.4,;17.15,-10.51,;16.61,-11.81,;17.48,-12.91,;18.88,-12.72,;19.4,-11.41,;18.53,-10.3,;17.53,-11.28,;18.88,-11.64,;13.84,-8.46,;12.33,-8.77,)|

BDBM50364871

CN1CCN(CC1)c1ccc-2c(c1)C(=O)c1cc(ccc-21)N1CCN(C)CC1

BDBM50364872

CN1CCCN(CC1)c1ccc2-c3ccc(cc3C(=O)c2c1)N1CCCN(C)CC1

BDBM50364873

CN1CC2CN(CC2C1)c1ccc2-c3ccc(cc3C(=O)c2c1)N1CC2CN(C)CC2C1

BDBM50364874

O=C1c2cc(ccc2-c2ccc(cc12)N1CC2CNCC2C1)N1CC2CNCC2C1

BDBM50364875

CN1C[C@H]2CN(C[C@@H]12)c1ccc2-c3ccc(cc3C(=O)c2c1)N1C[C@@H]2CN(C)[C@@H]2C1 |r|

BDBM50364876

O=C1c2cc(ccc2-c2ccc(cc12)N1C[C@@H]2CN[C@@H]2C1)N1C[C@@H]2CN[C@@H]2C1 |r|

BDBM50364877

O=C1c2ccccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc12 |r,wD:13.13,(-6.3,5.83,;-6.31,4.29,;-7.56,3.39,;-9.06,3.71,;-10.1,2.57,;-9.61,1.11,;-8.12,.78,;-7.08,1.92,;-5.55,1.92,;-4.54,.76,;-3.02,1.06,;-2.53,2.51,;-1.02,2.81,;-0,1.65,;-.51,.19,;.5,-.97,;2.01,-.68,;2.52,.78,;1.5,1.95,;.41,.86,;1.74,.09,;-3.54,3.67,;-5.05,3.37,)|

BDBM50364878

O=C1c2ccccc2-c2ccc(O[C@@H]3CN4CCC3CC4)cc12 |r,wU:13.13,(7.41,6.4,;7.41,4.86,;6.15,3.96,;4.66,4.29,;3.62,3.14,;4.1,1.68,;5.59,1.36,;6.63,2.5,;8.16,2.5,;9.17,1.34,;10.69,1.63,;11.18,3.09,;12.7,3.38,;13.71,2.22,;13.2,.77,;14.21,-.39,;15.73,-.1,;16.23,1.36,;15.22,2.53,;14.12,1.44,;15.45,.67,;10.18,4.25,;8.66,3.94,)|

BDBM50364879

O=C1c2ccccc2-c2ccc(cc12)N1CCN2CCC1CC2 |(21.84,6.38,;21.84,4.83,;20.58,3.93,;19.08,4.26,;18.04,3.11,;18.53,1.65,;20.02,1.33,;21.06,2.47,;22.59,2.47,;23.61,1.31,;25.12,1.6,;25.62,3.06,;24.61,4.22,;23.09,3.92,;27.13,3.35,;28.09,2.08,;29.6,2.07,;30.61,3.21,;30.36,4.67,;28.96,5.44,;27.53,4.85,;28.3,3.52,;29.63,4.3,)|

BDBM50364880

CN1CC2CN(CC2C1)c1ccc2-c3ccccc3C(=O)c2c1

BDBM50364881

CN1C[C@H]2CN(C[C@@H]12)c1ccc2-c3ccccc3C(=O)c2c1 |r|

BDBM50364882

C1c2ccccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc12 |r,wD:12.12,(9.65,-3.85,;8.4,-4.75,;6.9,-4.43,;5.86,-5.57,;6.35,-7.03,;7.84,-7.36,;8.87,-6.22,;10.41,-6.22,;11.42,-7.38,;12.94,-7.08,;13.43,-5.63,;14.94,-5.33,;15.96,-6.5,;15.45,-7.95,;16.46,-9.11,;17.98,-8.82,;18.48,-7.36,;17.47,-6.19,;16.37,-7.28,;17.7,-8.05,;12.42,-4.47,;10.91,-4.77,)|

BDBM50364883

C1c2ccccc2-c2ccc(O[C@@H]3CN4CCC3CC4)cc12 |r,wU:12.12,(23.21,-3.89,;21.96,-4.79,;20.46,-4.46,;19.42,-5.61,;19.9,-7.07,;21.39,-7.4,;22.43,-6.26,;23.97,-6.26,;24.98,-7.42,;26.49,-7.12,;26.99,-5.67,;28.5,-5.37,;29.51,-6.53,;29.01,-7.99,;30.02,-9.15,;31.53,-8.86,;32.03,-7.4,;31.02,-6.23,;29.92,-7.32,;31.26,-8.09,;25.98,-4.5,;24.46,-4.81,)|

BDBM50364884

O=S1(=O)c2ccccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc12 |r,wD:14.14,(46.6,-11.14,;45.82,-12.47,;45.06,-11.13,;44.57,-13.37,;43.07,-13.04,;42.03,-14.19,;42.51,-15.65,;44.01,-15.98,;45.04,-14.84,;46.58,-14.84,;47.59,-16,;49.11,-15.7,;49.6,-14.25,;51.11,-13.95,;52.13,-15.11,;51.62,-16.57,;52.63,-17.73,;54.15,-17.44,;54.65,-15.98,;53.64,-14.81,;52.54,-15.89,;53.87,-16.67,;48.59,-13.08,;47.08,-13.39,)|

BDBM50364885

O=S1(=O)c2ccccc2-c2ccc(O[C@@H]3CN4CCC3CC4)cc12 |r,wU:14.14,(-4.86,-11.54,;-5.64,-12.87,;-6.4,-11.53,;-6.89,-13.77,;-8.39,-13.44,;-9.43,-14.59,;-8.95,-16.05,;-7.45,-16.38,;-6.42,-15.23,;-4.88,-15.23,;-3.87,-16.4,;-2.35,-16.1,;-1.86,-14.64,;-.35,-14.35,;.67,-15.51,;.16,-16.96,;1.17,-18.12,;2.68,-17.83,;3.19,-16.37,;2.17,-15.2,;1.08,-16.29,;2.41,-17.06,;-2.87,-13.48,;-4.39,-13.79,)|

BDBM50364856

O=S1(=O)c2ccccc2-c2ccc(cc12)N1CCN2CCC1CC2 |(9.73,-11.78,;8.95,-13.11,;8.19,-11.77,;7.7,-14.01,;6.2,-13.68,;5.16,-14.83,;5.64,-16.29,;7.13,-16.62,;8.17,-15.48,;9.71,-15.48,;10.72,-16.64,;12.24,-16.34,;12.73,-14.89,;11.72,-13.72,;10.21,-14.03,;14.25,-14.59,;15.21,-15.86,;16.72,-15.87,;17.72,-14.73,;17.48,-13.28,;16.07,-12.5,;14.65,-13.09,;15.41,-14.42,;16.75,-13.64,)|

BDBM50364886

CN1C[C@H]2CN(C[C@@H]12)c1ccc2-c3ccccc3S(=O)(=O)c2c1 |r|

BDBM50364887

O=c1c2ccccc2oc2ccc(O[C@H]3CN4CCC3CC4)cc12 |r,wD:14.14,(-6.85,-19.93,;-6.89,-21.47,;-8.24,-22.21,;-9.55,-21.41,;-10.91,-22.15,;-10.93,-23.68,;-9.63,-24.48,;-8.28,-23.75,;-6.97,-24.55,;-5.58,-23.81,;-4.24,-24.57,;-2.91,-23.79,;-2.92,-22.26,;-1.59,-21.48,;-.25,-22.24,;-.25,-23.78,;1.08,-24.54,;2.42,-23.76,;2.41,-22.22,;1.07,-21.45,;.39,-22.84,;1.9,-23.13,;-4.26,-21.49,;-5.59,-22.28,)|

BDBM50364888

O=c1c2ccccc2oc2ccc(O[C@@H]3CN4CCC3CC4)cc12 |r,wU:14.14,(8.61,-19.89,;8.6,-21.43,;7.28,-22.19,;5.96,-21.39,;4.61,-22.15,;4.6,-23.69,;5.91,-24.48,;7.26,-23.72,;8.6,-24.48,;9.91,-23.71,;11.25,-24.49,;12.59,-23.71,;12.58,-22.18,;13.92,-21.41,;15.25,-22.18,;15.25,-23.72,;16.57,-24.49,;17.92,-23.73,;17.92,-22.18,;16.58,-21.4,;15.89,-22.79,;17.4,-23.09,;11.25,-21.4,;9.92,-22.19,)|

BDBM50364857

CN1CC2CN(CC2C1)c1ccc2oc3ccccc3c(=O)c2c1

BDBM50364889

CN1CC2CN(CC2C1)c1ccc2-c3ccc(N)cc3C(=O)c2c1

BDBM50364890

CCN(CC)CCOc1ccc2-c3ccc(OCCN(CC)CC)cc3C(=O)c2c1

BDBM50364891

CCN(CC)CCOc1ccc2-c3ccc(OCCOC)cc3C(=O)c2c1

BDBM50364892

CCN(CC)CCOc1ccc2-c3ccccc3C(=O)c2c1

BDBM50364893

CCN(CC)CCOc1ccc-2c(c1)C(O)c1cc(OCCN(CC)CC)ccc-21

BDBM50364894

CCN(CC)CCOc1ccc-2c(Cc3cc(OCCN(CC)CC)ccc-23)c1

BDBM50364895

CCN(CC)CCOc1ccc2-c3ccc(OCCN(CC)CC)cc3S(=O)(=O)c2c1

BDBM50364896

CCN(CC)CCOc1ccc2c3ccc(OCCN(CC)CC)cc3s(=O)c2c1

BDBM50364897

CCN(CC)CCOc1ccc2c(c1)sc1cc(OCCN(CC)CC)ccc21

BDBM50364898

CCN(CC)CCOc1ccc2oc3ccc(OCCN(CC)CC)cc3c(=O)c2c1

BDBM50364899

CCN(CC)CCOc1ccc2ccc(OCCN(CC)CC)cc2c1

BDBM50364900

CCN(CC)CCOc1ccc(cc1)-c1ccc(OCCN(CC)CC)cc1

BDBM50364901

CCN(CC)CCOc1cccc(c1)C(=O)c1cccc(OCCN(CC)CC)c1

BDBM50364902

CCN(CC)CCCOc1ccc2-c3ccc(OCCCN(CC)CC)cc3C(=O)c2c1

BDBM50364903

CCN(CC)CCCCOc1ccc2-c3ccc(OCCCCN(CC)CC)cc3C(=O)c2c1

BDBM50364904

NCCOc1ccc2-c3ccc(OCCN)cc3C(=O)c2c1

BDBM50364905

CC[N+](C)(CC)CCOc1ccc2-c3ccc(OCC[N+](C)(CC)CC)cc3C(=O)c2c1

BDBM50364906

CCN(CC)CCCc1ccc2-c3ccc(CCCN(CC)CC)cc3C(=O)c2c1

BDBM50364907

CCN(CC)CC#Cc1ccc2-c3ccc(cc3C(=O)c2c1)C#CCN(CC)CC

BDBM50364908

CCNCCOc1ccc2-c3ccc(OCCNCC)cc3C(=O)c2c1

BDBM50000483

CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM50108392

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|

BDBM50096711

O=C(OC1CN2CCC1CC2)n1ccc2ccccc12 |THB:2:3:9.10:7.6,(7.39,-10.08,;8.5,-8.89,;9.81,-9.66,;11.07,-10.94,;10.28,-12.18,;11.95,-11.29,;13.58,-12.25,;14.4,-11.1,;12.81,-10.15,;12.81,-9.03,;11.95,-9.89,;8.08,-7.22,;9.43,-6.44,;9.43,-4.92,;6.74,-4.9,;5.39,-4.15,;4.07,-4.93,;4.07,-6.44,;5.39,-7.22,;6.74,-6.44,)|

BDBM50096712

C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5|

BDBM85330

Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O

BDBM50096713

O=C(OC1CN2CCC1CC2)c1c[nH]c2ccccc12 |THB:2:3:9.10:7.6,(10.78,-2.61,;10.78,-4.18,;12.1,-4.96,;13.37,-6.22,;12.58,-7.47,;14.26,-6.58,;15.87,-7.55,;16.69,-6.38,;15.12,-5.43,;15.11,-4.33,;14.26,-5.17,;9.44,-4.93,;9.44,-6.45,;8.09,-7.22,;6.74,-6.45,;5.4,-7.22,;4.07,-6.45,;4.07,-4.94,;5.4,-4.15,;6.74,-4.9,)|

BDBM50099558

C1C[C@@H]2CCc3ccncc3[C@@H]2N1

BDBM50099559

C1C[C@H]2CCc3ncccc3[C@H]2N1

BDBM50035415

C1CN[C@@H](C1)c1cccnc1

BDBM50099561

CN1CC[C@H]2CCc3c(ccc[n+]3[BH2-]C#N)[C@@H]12

BDBM50099560

CN1CCC[C@H]1c1ccc[n+]([BH2-]C#N)c1

BDBM50099563

CN1CC[C@@H]2CCc3cc[n+]([BH2-]C#N)cc3[C@H]12

BDBM50119773

Cc1ccc[n+](CCCCCCCCC[n+]2cccc(C)c2)c1

BDBM50060582

C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C

BDBM50119775

CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1

BDBM50119771

CN1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1

BDBM50038416

C[N+](C)(C)CCCCCC[N+](C)(C)C

BDBM50119779

C(CCCCC[n+]1ccccc1)CCCC[n+]1ccccc1

BDBM50119780

C(CCCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccc2ccccc2c1

BDBM50119782

Cc1ccc[n+](CCCCCCCCCC[n+]2cccc(C)c2)c1

BDBM50119776

C(CCCCC[n+]1ccc2ccccc2c1)CCCCC[n+]1ccc2ccccc2c1

BDBM50119784

C(CCC[n+]1ccccc1)CC[n+]1ccccc1

BDBM50119786

C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1

BDBM50119789

C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12

BDBM50119791

CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C

BDBM50119793

C(CCCCCC[n+]1ccccc1)CCCCC[n+]1ccccc1

BDBM50119796

C(CCC[n+]1cccc2ccccc12)CC[n+]1cccc2ccccc12

BDBM50119777

C(CCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccc2ccccc2c1

BDBM50119783

C(CC[n+]1ccccc1)CC[n+]1ccccc1

BDBM50119797

C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12

BDBM50119798

C(CCCCC[n+]1ccccc1)CCCCC[n+]1ccccc1

BDBM50119788

Cc1ccc[n+](CCCCCC[n+]2cccc(C)c2)c1

BDBM50119794

Cc1ccc[n+](CCCCCCCC[n+]2cccc(C)c2)c1

BDBM50119781

C(CCCC[n+]1ccccc1)CCCC[n+]1ccccc1

BDBM50119790

CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1

BDBM50119800

CN1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1

BDBM50119803

C(CCC[n+]1ccc2ccccc2c1)CC[n+]1ccc2ccccc2c1

BDBM50119772

C(CCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12

BDBM50119805

C(CCCCCC[n+]1ccc2ccccc2c1)CCCCC[n+]1ccc2ccccc2c1

BDBM50119802

Cc1ccc[n+](CCCCCCCCCCC[n+]2cccc(C)c2)c1

BDBM50119804

CN1CCC[C@H]1c1ccc[n+](CCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1

BDBM50119799

C(CCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12

BDBM50366799

COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4 |r|

BDBM50119785

C(CCCC[n+]1ccccc1)CCC[n+]1ccccc1

BDBM50119787

C(CCCC[n+]1cccc2ccccc12)CCC[n+]1cccc2ccccc12

BDBM50119792

CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1

BDBM50121736

O=C(C1CCCCN1)N1CCN(Cc2cccnc2)CC1

BDBM50121737

C([C@@H]1CCCN1)N1CCN(Cc2cccnc2)CC1

BDBM50121739

C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12 |c:59,t:11|

BDBM50121740

C(C1CCCCN1)N1CCN(Cc2ccncc2)CC1

BDBM50121742

CN1CCCCC1CN1CCN(Cc2ccncc2)CC1

BDBM50121741

CN1CCC[C@H]1CN1CCN(Cc2ccncc2)CC1

BDBM50121744

CN1CCC[C@H]1CN1CCN(Cc2cccnc2)CC1

BDBM50121743

O=C(C1CCCCN1)N1CCN(Cc2ccncc2)CC1

BDBM50121745

CN1CCCCC1CN1CCN(Cc2cccnc2)CC1

BDBM50121746

O=C([C@@H]1CCCN1)N1CCN(Cc2ccccn2)CC1

BDBM50121738

C(C1CCCCN1)N1CCN(Cc2cccnc2)CC1

BDBM50121749

C([C@@H]1CCCN1)N1CCN(Cc2ccncc2)CC1

BDBM50121748

O=C(C1CCCCN1)N1CCN(Cc2ccccn2)CC1

BDBM50149053

Cc1cc(O)n(c1O)-c1ccccc1C(=O)OCC1CCCN(CCc2ccccc2)C1 |(7.75,1.44,;6.86,.19,;5.32,.18,;4.84,-1.28,;3.38,-1.76,;6.1,-2.18,;7.33,-1.27,;8.82,-.87,;6.1,-3.72,;4.77,-4.49,;4.77,-6.03,;6.1,-6.8,;7.44,-6.03,;7.44,-4.49,;8.77,-3.71,;8.76,-2.17,;10.11,-4.46,;11.44,-3.69,;12.77,-4.46,;14.1,-3.69,;15.43,-4.46,;15.43,-6,;14.1,-6.77,;14.1,-8.29,;12.77,-9.08,;12.77,-10.62,;14.1,-11.37,;14.1,-12.91,;12.77,-13.68,;11.43,-12.91,;11.43,-11.37,;12.77,-6,)|

BDBM50164613

O=C1NC[C@@]2(CN3CCC2CC3)O1 |wU:4.13,(17.66,3,;16.71,1.79,;17.15,.32,;15.87,-.57,;14.65,.37,;14.65,-1.17,;13.32,-1.92,;13.8,-.68,;12.7,-.03,;13.32,1.16,;12,.37,;12,-1.17,;15.17,1.82,)|

BDBM50454436

[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@@]1(C[C@@H]2OC)OCO[C@]11[C@@H](OC)[C@@]2([H])[C@]33C1N(CC)C[C@]2(COC(=O)c1ccccc1N1C(=O)C[C@H](C)C1=O)CC[C@@H]3OC |r,TLB:18:25:22:51.50.49,3:24:18.19:30.29.26,THB:26:25:19.22:10.3.5,8:7:3.2:10.12.11,51:24:18.19:30.29.26,27:26:22:51.50.49|

BDBM50454430

[H][C@]12CC3C([C@H]1OC(C)=O)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)C2[C@]33C1N(CC)C[C@]2(COC(=O)c1ccccc1N1C(=O)C[C@H](C)C1=O)CC[C@@H]3OC |TLB:16:23:21:49.47.48,3:22:16.18:28.24.27,THB:25:24:21:49.47.48,49:22:16.18:28.24.27,6:5:3.2:10.12.13,24:23:10.4.3:21.18|

BDBM50454437

[H][C@]12CC3[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@@H](O)CC[C@@]2(COC)CN(CC)[C@@]13[H] |TLB:15:35:20:23.26.25,9:15:22:27.32.31,28:27:22:15.17,3:22:15.17:27.32.31,THB:26:27:22:15.17,23:22:15.17:27.32.31,18:17:22:27.32.31,7:6:3.2:9.11.12,33:32:22:15.17,33:32:20:23.26.25,6:4:35:20.17,24:23:20:35.32.31,11:9:35:20.17,2:3:35:20.17|

BDBM50454434

[H][C@]12CC3C([C@H]1OC)[C@@]1(C[C@@H]2OC)OCO[C@@]11[C@@H](O)C2[C@]33C1N(CC)C[C@]2(COC)CC[C@@H]3OC |TLB:16:21:19:32.30.31,3:20:16.17:26.22.25,THB:32:20:16.17:26.22.25,6:5:3.2:8.9.10,23:22:19:32.30.31,22:21:8.4.3:19.17|

BDBM50454435

[H][C@]12CC3[C@](O)([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@@]1([H])CC2[C@]33C1N(CC)C[C@@]2(CC[C@@H]3OC)OC(=O)c1ccccc1NC(C)=O |TLB:9:15:19:25.21.24,29:28:18:20.21.24,15:20:18:28.26.27,3:19:15.17:25.21.24,17:18:20.21.24:28.26.27,31:25:19:15.17,22:21:18:28.26.27,THB:6:4:20:18.17,11:9:20:18.17,2:3:20:18.17,28:19:15.17:25.21.24,26:25:19:15.17,5:4:20:18.17,10:9:20:18.17,7:6:3.2:9.11.12,22:21:19:15.17|

BDBM50454433

[H][C@]12CC3[C@](O)([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1([H])CC2[C@]33C1N(CC)C[C@@]2(CC[C@@H]3OC)OC(=O)c1ccccc1N |TLB:9:15:19:25.21.24,15:20:18:28.26.27,3:19:15.17:25.21.24,17:18:20.21.24:28.26.27,31:25:19:15.17,22:21:18:28.26.27,29:28:18:20.21.24,THB:6:4:20:18.17,11:9:20:18.17,2:3:20:18.17,28:19:15.17:25.21.24,26:25:19:15.17,5:4:20:18.17,10:9:20:18.17,22:21:19:15.17,7:6:3.2:9.11.12|

BDBM50454432

[H][C@]12C[C@]3(O)[C@]([H])([C@H]1OC)[C@@]1(C[C@@H]2OC)OCO[C@@]11[C@@H](OC(C)=O)[C@@]2([H])[C@]33C1N(CC)C[C@]2(C)CC[C@@H]3OC |r,TLB:18:27:24:36.35.34,3:26:18.19:32.31.28,THB:28:27:19.24:10.3.5,8:7:3.2:10.12.11,36:26:18.19:32.31.28,29:28:24:36.35.34|

BDBM50454431

[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@]1([H])C[C@@]2([H])[C@]33C1N(CC)C[C@]2(C)CC[C@@H]3O |r,TLB:15:21:18:30.28.29,3:20:15.17:22.26.25,THB:30:20:15.17:22.26.25,8:7:3.2:9.11.12,22:21:9.5.3:18.17,23:22:18:30.28.29|

BDBM50054816

CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6[C@H](OC(C)=O)C5[C@](O)(C[C@@H]6OC)C(CC23)C14 |TLB:10:12:28.29:2.4.3,12:13:16:22.24.25,1:2:30:10.8.9,THB:28:31:30:10.8.9,13:12:28.29:2.4.3,2:31:22.21.13:30.29|

BDBM50369179

CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,TLB:28:31:9.8.7:3.32.2,26:20:16:13.14,7:4:28.26:12,4:31:20.13.19:32,1:2:28.26:12,29:28:20.13.19:32,THB:24:23:16:13.14,21:20:16:13.14,5:4:28.26:12|

BDBM50054814

CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |TLB:21:22:25:29.31.32,18:21:35.37:4.2.3,1:2:40:18.16.17,THB:35:41:40:18.16.17,22:21:35.37:4.2.3,2:41:29.28.22:40.37|

BDBM50061562

CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |t:4,11|

BDBM50061567

C[N+]1(C)CCN(CC1)c1ccccc1

BDBM50369323

CN[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C |r|

BDBM50061561

CNCC\C=C\c1cccnc1

BDBM50049753

C(Oc1cccnc1)[C@H]1CCN1

BDBM50062641

Clc1ccc(OC[C@H]2CCN2)cn1 |r|

BDBM50107856

CN1CCC[C@H]1[C@H]1CCc2ccc(O)cc2O1

BDBM50107857

CN1CCCC[C@H]1[C@@H]1CCc2ccccc2O1

BDBM50107858

CN1CCCC[C@H]1[C@H]1CCc2ccc(O)cc2O1

BDBM50107859

CN1CCCC[C@H]1[C@H]1CCc2cc(O)ccc2O1

BDBM50107861

CN1CCCC[C@H]1[C@@H]1CCc2cc(O)ccc2O1

BDBM50107860

CN1CCCC[C@H]1[C@@H]1CCc2ccc(O)cc2O1

BDBM50107853

CN1CCCC[C@H]1[C@H]1CCc2ccccc2O1

BDBM50115622

C1CC2N[C@H]1CCC=C2c1cccnn1 |c:8,THB:9:8:3:1.0|

BDBM50110260

C1CC2N[C@H]1CCC=C2c1cccnc1 |c:8,THB:9:8:3:1.0|

BDBM50115624

C1CC2N[C@H]1CCC=C2c1ccccn1 |c:8,THB:9:8:3:1.0|

BDBM50110258

Clc1ccc(cn1)C1=CCC[C@H]2CCC1N2 |t:8,THB:4:7:15:13.12|

BDBM50115623

C1CC2N[C@H]1CCC=C2c1ccncc1 |c:8,THB:9:8:3:1.0|

BDBM50110259

C1CC2N[C@H]1CCC=C2c1cncnc1 |c:8,THB:9:8:3:1.0|

BDBM50110263

C1CC2N[C@H]1CCC=C2c1cnccn1 |c:8,THB:9:8:3:1.0|

BDBM50119631

O=c1ccc(c[nH]1)[C@H]1CC2CCC1N2 |THB:4:7:13:11.10|

BDBM50119633

Nc1ncc(cc1I)[C@H]1CC2CCC1N2 |THB:4:8:14:12.11|

BDBM50119634

Clc1cc(cnc1Cl)[C@H]1CC2CCC1N2 |THB:3:8:14:12.11|

BDBM50119642

Nc1cc(cnc1Cl)[C@H]1CC2CCC1N2 |THB:3:8:14:12.11|

BDBM50023330

CC(=O)C1=CCCC2CCC1N2 |t:3,THB:1:3:11:9.8|

BDBM50110262

C1CC2N[C@H]1CCC=C2c1ccnnc1 |c:8,THB:9:8:3:1.0|

BDBM50167456

Fc1cccc2C3CNCC(C3)Cc12

BDBM50167457

Fc1ccc2C3CNCC(C3)Cc2c1F

BDBM50167463

FC(F)Oc1ccc2C3CNCC(C3)Cc2c1

BDBM50167462

Fc1ccc2C3CNCC(C3)Cc2c1

BDBM50167465

C1Oc2ccc3CC4CNCC(C4)c3c2O1

BDBM50167469

COc1ccc2C3CNCC(C3)Cc2c1

BDBM50164895

Brc1cccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c1 |wU:10.9,17.19,(17.5,3.33,;16.15,2.56,;16.15,1,;14.82,.25,;13.49,1.02,;13.49,2.56,;12.16,3.33,;10.83,2.56,;10.83,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,;14.82,3.33,)|

BDBM50164898

O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(Sc2ccccc2)cc1 |wU:3.2,10.12,(10.48,-1.13,;10.48,.41,;9.15,1.18,;7.8,.41,;6.47,1.19,;5.16,.41,;5.16,-1.13,;6.47,-1.89,;7.03,-.91,;5.7,-.14,;7.8,-1.13,;9.15,-1.9,;9.13,-3.44,;7.8,-4.2,;7.8,-5.74,;9.13,-6.51,;10.48,-5.74,;10.46,-4.2,;11.81,1.18,;11.81,2.71,;13.14,3.48,;14.48,2.7,;15.81,3.47,;17.15,2.7,;18.47,3.47,;19.8,2.71,;19.81,1.16,;18.47,.39,;17.14,1.16,;14.48,1.16,;13.14,.4,)|

BDBM50164900

O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1 |wU:3.2,10.12,(9.24,.21,;9.24,1.75,;7.9,2.54,;6.55,1.77,;5.22,2.54,;4.45,1.21,;5.78,.44,;5.22,-.55,;3.9,.23,;3.9,1.77,;6.55,.23,;7.9,-.55,;7.89,-2.09,;6.55,-2.86,;6.55,-4.4,;7.89,-5.18,;9.24,-4.4,;9.22,-2.86,;10.57,2.53,;10.57,4.06,;11.9,4.83,;13.24,4.06,;13.24,2.52,;11.9,1.75,)|

BDBM50164908

Brc1ccc(CNC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:10.9,17.19,(16.41,3.7,;15.08,2.93,;13.74,3.7,;12.41,2.93,;12.41,1.42,;11.07,.65,;9.74,1.42,;8.41,.65,;8.41,-.89,;7.08,1.42,;5.74,.65,;4.41,1.44,;3.62,.11,;4.95,-.66,;4.41,-1.64,;3.09,-.89,;3.09,.65,;5.74,-.89,;7.08,-1.66,;7.07,-3.2,;5.72,-3.95,;5.72,-5.49,;7.07,-6.26,;8.41,-5.49,;8.4,-3.95,;13.74,.62,;15.08,1.39,)|

BDBM50164907

Brc1cc(cs1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:9.9,16.19,(10.46,1.7,;8.92,1.7,;8.03,.44,;6.56,.93,;6.56,2.47,;8.03,2.93,;5.23,.16,;5.23,-1.38,;3.9,.93,;2.55,.16,;1.22,.93,;.45,-.4,;1.78,-1.17,;1.22,-2.15,;-.09,-1.38,;-.09,.16,;2.55,-1.38,;3.9,-2.15,;3.88,-3.69,;2.55,-4.46,;2.55,-6,;3.88,-6.77,;5.23,-6,;5.21,-4.46,)|

BDBM50164906

O=C(Nc1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:10.10,17.20,(7.26,-.24,;7.26,1.3,;8.61,2.07,;9.94,1.28,;9.92,-.26,;11.25,-1.03,;12.6,-.26,;12.6,1.28,;11.27,2.05,;5.93,2.07,;4.6,1.3,;3.27,2.08,;2.5,.75,;3.83,-.02,;3.27,-1,;1.94,-.24,;1.94,1.3,;4.6,-.24,;5.93,-1.01,;5.93,-2.55,;4.6,-3.31,;4.6,-4.85,;5.93,-5.62,;7.26,-4.85,;7.26,-3.31,)|

BDBM50164902

O=C(NCc1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:11.11,18.21,(10.83,1.02,;10.83,2.56,;12.16,3.33,;13.49,2.56,;14.84,3.33,;14.82,4.85,;16.15,5.64,;17.51,4.85,;17.5,3.31,;16.15,2.54,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,)|

BDBM50164911

Fc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:10.10,17.20,(14.57,4.83,;13.24,4.06,;11.9,4.83,;10.57,4.06,;10.57,2.53,;11.9,1.75,;13.24,2.52,;9.24,1.75,;9.24,.21,;7.9,2.54,;6.55,1.77,;5.22,2.54,;4.45,1.21,;5.78,.44,;5.22,-.55,;3.9,.23,;3.9,1.77,;6.55,.23,;7.9,-.55,;7.89,-2.09,;6.55,-2.86,;6.55,-4.4,;7.89,-5.18,;9.24,-4.4,;9.22,-2.86,)|

BDBM50164913

Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:10.10,17.20,(14.57,4.83,;13.24,4.06,;11.9,4.83,;10.57,4.06,;10.57,2.53,;11.9,1.75,;13.24,2.52,;9.24,1.75,;9.24,.21,;7.9,2.54,;6.55,1.77,;5.22,2.54,;4.45,1.21,;5.78,.44,;5.22,-.55,;3.9,.23,;3.9,1.77,;6.55,.23,;7.9,-.55,;7.89,-2.09,;6.55,-2.86,;6.55,-4.4,;7.89,-5.18,;9.24,-4.4,;9.22,-2.86,)|

BDBM50164901

O=C(Nc1ccc(cc1)-c1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:16.17,23.27,(10.83,1.02,;10.83,2.56,;12.16,3.33,;13.49,2.56,;13.49,1.02,;14.82,.25,;16.15,1,;16.15,2.56,;14.82,3.33,;17.48,.23,;18.81,1,;20.14,.25,;20.16,-1.31,;18.81,-2.08,;17.48,-1.31,;9.5,3.34,;8.17,2.57,;6.84,3.35,;5.51,2.57,;5.51,1.03,;6.84,.27,;7.38,1.25,;6.05,2.02,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,)|

BDBM50164918

COc1cncc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CCN2CC3)c1 |wU:9.9,8.7,(11.48,-5.65,;11.46,-4.11,;10.13,-3.36,;8.8,-4.13,;7.47,-3.36,;7.47,-1.82,;8.8,-1.06,;8.8,.48,;7.47,1.25,;7.47,2.79,;8.8,3.56,;10.13,2.79,;10.13,1.25,;11.48,3.56,;12.81,2.78,;12.79,1.24,;14.12,.47,;15.47,1.23,;16.81,.46,;15.47,2.78,;14.14,3.55,;6.14,3.57,;4.81,2.79,;4.81,1.25,;6.14,.49,;6.7,1.47,;5.37,2.24,;10.13,-1.82,)|

BDBM50164912

COc1ccncc1C[C@@H]1[C@H](OC(=O)Nc2ccc(Br)cc2)C2CCN1CC2 |wU:9.9,10.11,(17.76,-4.14,;16.43,-3.38,;15.08,-4.15,;15.1,-5.69,;13.75,-6.46,;12.42,-5.69,;12.42,-4.15,;13.75,-3.39,;13.77,-1.85,;12.42,-1.08,;12.42,.46,;13.77,1.23,;15.1,.46,;15.1,-1.08,;16.44,1.23,;17.77,.44,;19.1,1.21,;20.43,.44,;20.43,-1.1,;21.76,-1.87,;19.09,-1.87,;17.76,-1.1,;11.09,1.24,;10.32,-.09,;11.65,-.86,;11.09,-1.84,;9.78,-1.08,;9.78,.46,)|

BDBM50164917

Fc1ccc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CCN2CC3)cc1 |wU:7.7,6.5,(8.84,-5.26,;8.85,-3.72,;10.18,-2.95,;10.18,-1.41,;8.85,-.65,;8.85,.89,;7.52,1.66,;7.52,3.2,;8.85,3.97,;10.18,3.19,;10.18,1.65,;11.53,3.96,;12.86,3.19,;14.19,3.96,;15.52,3.19,;15.52,1.63,;16.85,.86,;14.17,.88,;12.84,1.65,;6.19,3.98,;4.86,3.2,;4.86,1.66,;6.19,.9,;6.74,1.88,;5.41,2.65,;7.51,-1.41,;7.52,-2.95,)|

BDBM50164921

Cn1cc(C(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c2ccccc12 |wU:7.6,14.16,(8.86,4.18,;8.23,2.76,;6.73,2.45,;6.57,.93,;5.24,.16,;5.24,-1.39,;3.91,.93,;2.56,.16,;1.22,.94,;.45,-.4,;1.79,-1.17,;1.22,-2.15,;-.09,-1.39,;-.09,.16,;2.56,-1.39,;3.91,-2.16,;3.89,-3.7,;2.56,-4.47,;2.56,-6.01,;3.89,-6.78,;5.24,-6.01,;5.22,-4.47,;7.97,.3,;8.43,-1.15,;9.92,-1.48,;10.95,-.34,;10.48,1.11,;9,1.43,)|

BDBM50164924

O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1cc2ccccc2o1 |wU:3.2,10.12,(5.23,-1.38,;5.23,.16,;3.9,.93,;2.55,.16,;1.22,.93,;.45,-.4,;1.78,-1.17,;1.22,-2.15,;-.09,-1.38,;-.09,.16,;2.55,-1.38,;3.9,-2.15,;3.88,-3.69,;2.55,-4.46,;2.55,-6,;3.88,-6.77,;5.23,-6,;5.21,-4.46,;6.56,.93,;8.03,.44,;8.94,1.7,;10.46,1.86,;11.08,3.27,;10.17,4.52,;8.64,4.36,;8.03,2.94,;6.56,2.47,)|

BDBM50164922

FC(F)(F)c1cccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c1 |wU:13.12,20.22,(17.45,5.17,;16.12,4.38,;16.89,3.05,;15.34,5.71,;14.78,3.61,;14.78,2.07,;13.45,1.3,;12.12,2.07,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;13.45,4.38,)|

BDBM50164926

COc1ccc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CCN2CC3)cc1 |wU:8.8,7.6,(10.17,-6.03,;8.84,-5.26,;8.85,-3.72,;7.52,-2.95,;7.51,-1.41,;8.85,-.65,;8.85,.89,;7.52,1.66,;7.52,3.2,;8.85,3.97,;10.18,3.19,;10.18,1.65,;11.53,3.96,;12.86,3.19,;14.19,3.96,;15.52,3.19,;15.52,1.63,;16.85,.86,;14.17,.88,;12.84,1.65,;6.19,3.98,;4.86,3.2,;4.86,1.66,;6.19,.9,;6.74,1.88,;5.41,2.65,;10.18,-1.41,;10.18,-2.95,)|

BDBM50164925

Oc1c(ccc2ccccc12)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:14.15,21.25,(10.27,6.38,;10.27,7.91,;8.96,8.68,;8.96,10.2,;10.27,10.97,;11.62,10.2,;12.94,10.97,;14.27,10.2,;14.27,8.66,;12.94,7.89,;11.61,8.67,;7.63,7.91,;7.63,6.38,;6.3,8.7,;4.96,7.91,;3.62,8.71,;2.3,7.91,;2.3,6.4,;3.62,5.63,;4.17,6.61,;2.84,7.38,;4.96,6.4,;6.3,5.61,;6.29,4.07,;4.94,3.31,;4.94,1.77,;6.29,1,;7.63,1.77,;7.62,3.31,)|

BDBM50164932

O=C(Nc1ccc(Sc2ccccc2)cc1)OC1CN2CCC1CC2 |(7.26,-.24,;7.26,1.3,;8.61,2.07,;9.94,1.28,;9.92,-.26,;11.25,-1.03,;12.6,-.26,;13.94,-1.03,;13.93,-2.57,;15.26,-3.34,;15.27,-4.88,;13.93,-5.65,;12.58,-4.88,;12.6,-3.34,;12.6,1.28,;11.27,2.05,;5.93,2.07,;4.6,1.3,;4.6,-.24,;3.27,-1,;3.83,-.02,;2.5,.75,;3.27,2.08,;1.94,1.3,;1.94,-.24,)|

BDBM50164931

Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cncnc2)cc1 |wU:9.8,16.18,(16.8,-.4,;15.45,.35,;15.45,1.91,;14.12,2.68,;12.79,1.91,;11.46,2.68,;10.13,1.91,;10.13,.37,;8.8,2.68,;7.47,1.91,;6.14,2.7,;4.81,1.91,;4.81,.37,;6.14,-.38,;6.68,.6,;5.35,1.37,;7.47,.37,;8.8,-.4,;8.8,-1.94,;10.13,-2.69,;10.13,-4.23,;8.8,-5,;7.45,-4.23,;7.45,-2.69,;12.79,.37,;14.12,-.4,)|

BDBM50164936

NC(=O)Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:14.14,21.24,(6.54,5.42,;5.21,6.19,;5.2,7.7,;3.9,5.4,;3.91,3.87,;2.58,3.08,;2.6,1.55,;3.93,.79,;5.25,1.57,;5.24,3.1,;3.94,-.74,;5.48,-.73,;2.41,-.75,;3.94,-2.27,;2.61,-3.05,;1.26,-2.26,;-.06,-3.05,;-.06,-4.59,;1.26,-5.36,;1.82,-4.37,;.49,-3.6,;2.61,-4.59,;3.94,-5.37,;3.93,-6.92,;2.6,-7.69,;2.6,-9.23,;3.93,-10.01,;5.28,-9.23,;5.28,-7.69,)|

BDBM50164937

O=C(Nc1ccc(Sc2ccccc2)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:17.18,24.28,(7.26,-.24,;7.26,1.3,;8.61,2.07,;9.94,1.28,;11.27,2.05,;12.6,1.28,;12.6,-.26,;13.94,-1.03,;13.93,-2.57,;15.26,-3.34,;15.27,-4.88,;13.93,-5.65,;12.58,-4.88,;12.6,-3.34,;11.25,-1.03,;9.92,-.26,;5.93,2.07,;4.6,1.3,;3.27,2.08,;1.94,1.3,;1.94,-.24,;3.27,-1,;3.83,-.02,;2.5,.75,;4.6,-.24,;5.93,-1.01,;5.93,-2.55,;4.6,-3.31,;4.6,-4.85,;5.93,-5.62,;7.26,-4.85,;7.26,-3.31,)|

BDBM50164938

CN(C)c1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:11.10,18.20,(16.11,-.24,;16.12,1.3,;17.45,2.07,;14.78,2.07,;14.78,3.61,;13.45,4.38,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;12.12,2.07,;13.45,1.3,)|

BDBM50164935

Fc1cccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c1 |wU:10.9,17.19,(16.12,4.38,;14.78,3.61,;14.78,2.07,;13.45,1.3,;12.12,2.07,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;13.45,4.38,)|

BDBM50164933

O=S(=O)(Cc1ccccc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:11.11,18.21,(5.48,-.73,;3.95,-.74,;2.41,-.75,;3.95,.79,;5.28,1.56,;5.27,3.08,;6.59,3.85,;7.93,3.08,;7.93,1.55,;6.59,.78,;3.95,-2.28,;2.61,-3.05,;1.26,-2.26,;-.06,-3.05,;-.06,-4.6,;1.26,-5.36,;1.82,-4.37,;.49,-3.61,;2.61,-4.6,;3.95,-5.37,;3.93,-6.93,;2.6,-7.69,;2.6,-9.24,;3.93,-10.02,;5.28,-9.24,;5.28,-7.69,)|

BDBM50164934

Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cn2ccnc2)cc1 |wU:9.8,16.18,(17.32,1.56,;15.98,2.33,;14.64,1.56,;13.31,2.33,;13.32,3.89,;11.99,4.66,;10.65,3.89,;10.65,2.35,;9.32,4.66,;7.99,3.89,;6.66,4.67,;5.88,3.34,;7.21,2.57,;6.66,1.59,;5.33,2.35,;5.33,3.89,;7.99,2.35,;9.32,1.58,;9.32,.04,;10.57,-.85,;10.09,-2.32,;8.55,-2.32,;8.07,-.85,;14.65,4.64,;15.98,3.89,)|

BDBM50164940

O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)Nc1ccc(cc1)-c1ccccc1 |wU:3.2,10.12,(9.46,2.08,;9.46,3.62,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.14,3.63,;4.14,2.09,;5.46,1.32,;6,2.3,;4.67,3.07,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;10.79,4.39,;12.12,3.62,;13.45,4.38,;14.78,3.61,;14.78,2.07,;13.45,1.3,;12.12,2.07,;16.11,1.3,;17.44,2.07,;18.77,1.3,;18.78,-.24,;17.44,-1.01,;16.11,-.24,)|

BDBM50164945

O=C(NC1CC1c1ccccc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:13.14,20.24,(8.41,-.89,;8.41,.65,;9.74,1.42,;11.07,.65,;11.83,-.68,;12.61,.65,;13.94,1.42,;13.94,2.94,;15.27,3.71,;16.6,2.93,;16.6,1.39,;15.27,.63,;7.08,1.42,;5.74,.65,;4.41,1.44,;3.62,.11,;4.95,-.66,;4.41,-1.64,;3.09,-.89,;3.09,.65,;5.74,-.89,;7.08,-1.66,;7.07,-3.2,;5.72,-3.95,;5.72,-5.49,;7.07,-6.26,;8.41,-5.49,;8.4,-3.95,)|

BDBM50164946

COc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:10.9,17.19,(17.48,-1.31,;17.5,.23,;16.15,1,;16.15,2.56,;14.82,3.33,;13.49,2.56,;12.16,3.33,;10.83,2.56,;10.83,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,;13.49,1.02,;14.82,.25,)|

BDBM50164944

O=S(=O)(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1 |wU:4.3,11.13,(5.75,-.01,;4.22,-.02,;2.69,-.03,;4.22,-1.55,;2.88,-2.33,;1.54,-1.54,;.22,-2.33,;.22,-3.88,;1.54,-4.64,;2.1,-3.65,;.77,-2.88,;2.88,-3.88,;4.22,-4.65,;4.21,-6.2,;2.88,-6.97,;2.88,-8.52,;4.21,-9.29,;5.55,-8.52,;5.55,-6.97,;4.21,1.51,;2.88,2.27,;2.86,3.8,;4.18,4.59,;5.52,3.82,;5.53,2.29,)|

BDBM50164943

COc1cccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c1 |wU:11.10,18.20,(17.5,4.87,;17.51,3.33,;16.15,2.56,;16.15,1,;14.82,.25,;13.49,1.02,;13.49,2.56,;12.16,3.33,;10.83,2.56,;10.83,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,;14.82,3.33,)|

BDBM50164920

COc1ccc(cc1)S(=O)(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:12.12,19.22,(2.84,6.88,;4.18,6.12,;4.18,4.59,;2.86,3.8,;2.88,2.27,;4.21,1.51,;5.53,2.29,;5.52,3.82,;4.22,-.02,;5.75,-.01,;2.69,-.03,;4.22,-1.55,;2.88,-2.33,;1.54,-1.54,;.22,-2.33,;.22,-3.88,;1.54,-4.64,;2.1,-3.65,;.77,-2.88,;2.88,-3.88,;4.22,-4.65,;4.21,-6.2,;2.88,-6.97,;2.88,-8.52,;4.21,-9.29,;5.55,-8.52,;5.55,-6.97,)|

BDBM50164949

Clc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1Cl |wU:9.8,16.18,(16.12,1.3,;14.78,2.07,;13.45,1.3,;12.12,2.07,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;13.45,4.38,;14.78,3.61,;16.12,4.38,)|

BDBM50164909

C\C(=C/C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1 |wU:6.5,13.15,(8.72,.83,;8.72,2.36,;7.4,3.14,;6.07,2.36,;6.07,.83,;4.74,3.14,;3.39,2.38,;2.06,3.15,;1.28,1.82,;2.62,1.04,;2.06,.06,;.73,.83,;.73,2.38,;3.39,.83,;4.74,.06,;4.73,-1.49,;3.39,-2.26,;3.39,-3.81,;4.73,-4.57,;6.07,-3.81,;6.06,-2.26,;10.06,3.12,;11.38,2.36,;12.7,3.11,;12.71,4.64,;11.38,5.42,;10.06,4.65,)|

BDBM50164899

Ic1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:9.9,16.19,(12.83,1.4,;12.35,-.05,;13.24,-1.31,;12.35,-2.57,;10.88,-2.08,;10.88,-.54,;9.55,-2.85,;9.55,-4.39,;8.22,-2.08,;6.87,-2.85,;5.54,-2.06,;4.77,-3.39,;6.1,-4.16,;5.54,-5.14,;4.23,-4.39,;4.23,-2.85,;6.87,-4.39,;8.22,-5.16,;8.2,-6.7,;6.87,-7.45,;6.87,-8.99,;8.2,-9.76,;9.55,-8.99,;9.53,-7.45,)|

BDBM50164896

O=C(NC1CC1c1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:13.14,20.24,(10.83,1.02,;10.83,2.56,;12.16,3.33,;13.49,2.56,;14.26,1.23,;15.03,2.56,;16.36,3.33,;16.36,4.85,;17.69,5.64,;19.02,4.85,;19.02,3.31,;17.69,2.54,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,)|

BDBM50164897

Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cc3ccccc3o2)cc1 |wU:16.18,9.8,(17.54,2.63,;16.19,3.41,;14.86,2.63,;13.52,3.41,;13.52,4.95,;12.19,5.73,;10.86,4.96,;10.86,3.41,;9.52,5.74,;8.18,4.97,;6.85,5.74,;6.06,4.41,;7.4,3.64,;6.85,2.66,;5.53,3.43,;5.53,4.97,;8.18,3.43,;9.52,2.66,;9.52,1.11,;10.76,.21,;10.29,-1.25,;11.06,-2.58,;10.3,-3.91,;8.75,-3.91,;7.98,-2.58,;8.74,-1.25,;8.26,.21,;14.86,5.72,;16.19,4.95,)|

BDBM50164916

Cn1cccc1C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:9.9,16.19,(3.7,4.43,;4.96,3.55,;6.43,4.01,;7.33,2.76,;6.43,1.51,;4.96,1.99,;3.62,1.22,;3.62,-.33,;2.29,2,;.94,1.23,;-.39,2,;-1.16,.67,;.17,-.1,;-.39,-1.08,;-1.71,-.31,;-1.71,1.23,;.94,-.31,;2.29,-1.08,;2.28,-2.63,;.94,-3.4,;.94,-4.94,;2.28,-5.71,;3.62,-4.94,;3.61,-3.4,)|

BDBM50164955

COc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:10.9,17.19,(17.81,-.05,;16.48,-.82,;15.14,-.03,;13.8,-.8,;12.47,-.03,;12.48,1.52,;11.15,2.29,;9.81,1.52,;9.81,-.02,;8.48,2.3,;7.15,1.53,;5.82,2.3,;5.04,.97,;6.37,.2,;5.82,-.78,;4.49,-.01,;4.49,1.53,;7.15,-.01,;8.48,-.78,;8.48,-2.32,;7.14,-3.09,;7.14,-4.63,;8.48,-5.4,;9.81,-4.63,;9.81,-3.09,;13.81,2.28,;15.14,1.51,)|

BDBM50164954

CC(C)Oc1cncc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CCN2CC3)c1 |wU:11.11,10.9,(12.81,-6.42,;11.48,-5.65,;10.15,-6.44,;11.46,-4.11,;10.13,-3.36,;8.8,-4.13,;7.47,-3.36,;7.47,-1.82,;8.8,-1.06,;8.8,.48,;7.47,1.25,;7.47,2.79,;8.8,3.56,;10.13,2.79,;10.13,1.25,;11.48,3.56,;12.81,2.78,;12.79,1.24,;14.12,.47,;15.47,1.23,;16.81,.46,;15.47,2.78,;14.14,3.55,;6.14,3.57,;5.37,2.24,;6.7,1.47,;6.14,.49,;4.81,1.25,;4.81,2.79,;10.13,-1.82,)|

BDBM50164910

CN(C)c1ccc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CCN2CC3)cc1 |wU:9.9,8.7,(7.51,-6.03,;8.84,-5.26,;10.18,-6.03,;8.85,-3.72,;10.18,-2.95,;10.18,-1.41,;8.85,-.65,;8.85,.89,;7.52,1.66,;7.52,3.2,;8.85,3.97,;10.18,3.19,;10.18,1.65,;11.53,3.96,;12.86,3.19,;12.84,1.65,;14.17,.88,;15.52,1.63,;16.85,.86,;15.52,3.19,;14.19,3.96,;6.19,3.98,;4.86,3.2,;4.86,1.66,;6.19,.9,;6.74,1.88,;5.41,2.65,;7.51,-1.41,;7.52,-2.95,)|

BDBM50164951

O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)\C=C\c1ccccc1 |wU:3.2,10.12,(6.07,.83,;6.07,2.36,;4.74,3.14,;3.39,2.38,;2.06,3.15,;.73,2.38,;.73,.83,;2.06,.06,;2.62,1.04,;1.28,1.82,;3.39,.83,;4.74,.06,;4.73,-1.49,;3.39,-2.26,;3.39,-3.81,;4.73,-4.57,;6.07,-3.81,;6.06,-2.26,;7.4,3.14,;8.72,2.36,;10.06,3.12,;10.06,4.65,;11.38,5.42,;12.71,4.64,;12.7,3.11,;11.38,2.36,)|

BDBM50164953

O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(s1)-c1ccccn1 |wU:3.2,10.12,(9.55,-6.55,;9.55,-5.01,;8.21,-4.24,;6.87,-5.01,;5.54,-4.24,;4.22,-5.01,;4.22,-6.55,;5.54,-7.33,;6.1,-6.34,;4.77,-5.57,;6.87,-6.55,;8.21,-7.33,;8.21,-8.87,;6.87,-9.64,;6.87,-11.18,;8.21,-11.96,;9.55,-11.18,;9.54,-9.64,;10.88,-4.24,;12.35,-4.73,;13.26,-3.47,;12.35,-2.23,;10.88,-2.7,;12.84,-.76,;11.81,.39,;12.28,1.82,;13.8,2.15,;14.82,1.02,;14.36,-.45,)|

BDBM50164952

O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)Nc1ccccc1 |wU:3.2,10.12,(9.15,-.02,;9.15,1.52,;7.82,2.3,;6.49,1.53,;5.16,2.3,;4.37,.97,;5.7,.2,;5.16,-.78,;3.83,-.01,;3.83,1.53,;6.49,-.01,;7.82,-.78,;7.82,-2.32,;6.47,-3.09,;6.47,-4.63,;7.82,-5.4,;9.15,-4.63,;9.15,-3.09,;10.48,2.29,;11.81,1.52,;13.14,2.28,;14.47,1.51,;14.47,-.03,;13.14,-.8,;11.81,-.03,)|

BDBM50164903

Brc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:9.8,16.18,(17.5,.23,;16.15,1,;14.82,.25,;13.49,1.02,;13.49,2.56,;12.16,3.33,;10.83,2.56,;10.83,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,;14.82,3.33,;16.15,2.56,)|

BDBM50164929

O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:17.18,24.28,(10.83,1.02,;10.83,2.56,;12.16,3.33,;13.49,2.56,;14.82,3.33,;16.15,2.56,;16.15,1,;17.5,.23,;17.48,-1.31,;18.81,-2.06,;18.81,-3.6,;17.48,-4.39,;16.15,-3.6,;16.15,-2.06,;14.82,.25,;13.49,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,)|

BDBM50164923

O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1c[nH]c2ccccc12 |wU:3.2,10.12,(5.24,-1.39,;5.24,.16,;3.91,.93,;2.56,.16,;1.22,.94,;.45,-.4,;1.79,-1.17,;1.22,-2.15,;-.09,-1.39,;-.09,.16,;2.56,-1.39,;3.91,-2.16,;3.89,-3.7,;2.56,-4.47,;2.56,-6.01,;3.89,-6.78,;5.24,-6.01,;5.22,-4.47,;6.57,.93,;6.73,2.45,;8.23,2.76,;9,1.43,;10.48,1.11,;10.95,-.34,;9.92,-1.48,;8.43,-1.15,;7.97,.3,)|

BDBM50164915

Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cnccc2Oc2ccccc2)cc1 |wU:16.18,9.8,(21.76,-1.87,;20.43,-1.1,;19.09,-1.87,;17.76,-1.1,;17.77,.44,;16.44,1.23,;15.1,.46,;15.1,-1.08,;13.77,1.23,;12.42,.46,;11.09,1.24,;9.78,.46,;9.78,-1.08,;11.09,-1.84,;11.65,-.86,;10.32,-.09,;12.42,-1.08,;13.77,-1.85,;13.75,-3.39,;12.42,-4.15,;12.42,-5.69,;13.75,-6.46,;15.1,-5.69,;15.08,-4.15,;16.43,-3.38,;17.76,-4.14,;19.09,-3.37,;20.42,-4.13,;20.43,-5.68,;19.1,-6.45,;17.76,-5.68,;19.1,1.21,;20.43,.44,)|

BDBM50164958

CS(=O)(=O)c1ccc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CCN2CC3)cc1 |wU:9.8,10.10,(8.83,-6.8,;8.84,-5.26,;10.38,-5.27,;7.3,-5.26,;8.85,-3.72,;7.52,-2.95,;7.51,-1.41,;8.85,-.65,;8.85,.89,;7.52,1.66,;7.52,3.2,;8.85,3.97,;10.18,3.19,;10.18,1.65,;11.53,3.96,;12.86,3.19,;14.19,3.96,;15.52,3.19,;15.52,1.63,;16.85,.86,;14.17,.88,;12.84,1.65,;6.19,3.98,;4.86,3.2,;4.86,1.66,;6.19,.9,;6.74,1.88,;5.41,2.65,;10.18,-1.41,;10.18,-2.95,)|

BDBM50164947

CN(C)c1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:12.12,19.22,(15.92,4.06,;14.57,4.83,;14.59,6.38,;13.24,4.06,;13.24,2.52,;11.9,1.75,;10.57,2.53,;10.57,4.06,;11.9,4.83,;9.24,1.75,;9.24,.21,;7.9,2.54,;6.55,1.77,;5.22,2.54,;4.45,1.21,;5.78,.44,;5.22,-.55,;3.9,.23,;3.9,1.77,;6.55,.23,;7.9,-.55,;7.89,-2.09,;6.55,-2.86,;6.55,-4.4,;7.89,-5.18,;9.24,-4.4,;9.22,-2.86,)|

BDBM50164948

Brc1ccc(cc1)S(=O)(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:11.11,18.21,(4.18,6.12,;4.18,4.59,;2.86,3.8,;2.88,2.27,;4.21,1.51,;5.53,2.29,;5.52,3.82,;4.22,-.02,;5.75,-.01,;2.69,-.03,;4.22,-1.55,;2.88,-2.33,;1.54,-1.54,;.22,-2.33,;.22,-3.88,;1.54,-4.64,;2.1,-3.65,;.77,-2.88,;2.88,-3.88,;4.22,-4.65,;4.21,-6.2,;2.88,-6.97,;2.88,-8.52,;4.21,-9.29,;5.55,-8.52,;5.55,-6.97,)|

BDBM50164930

C\C(=C/c1ccccc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:12.12,19.22,(7.42,4.67,;7.4,3.14,;8.72,2.36,;10.06,3.12,;11.38,2.36,;12.7,3.11,;12.71,4.64,;11.38,5.42,;10.06,4.65,;6.07,2.36,;6.07,.83,;4.74,3.14,;3.39,2.38,;2.06,3.15,;.73,2.38,;.73,.83,;2.06,.06,;2.62,1.04,;1.28,1.82,;3.39,.83,;4.74,.06,;4.73,-1.49,;3.39,-2.26,;3.39,-3.81,;4.73,-4.57,;6.07,-3.81,;6.06,-2.26,)|

BDBM50164927

Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2ccsc2)cc1 |wU:9.8,16.18,(17.59,-2.28,;16.25,-1.5,;14.9,-2.28,;13.57,-1.5,;13.58,.04,;12.25,.82,;10.9,.05,;10.9,-1.5,;9.57,.83,;8.24,.06,;6.9,.83,;6.13,-.5,;7.46,-1.27,;6.9,-2.25,;5.57,-1.48,;5.57,.06,;8.24,-1.48,;9.57,-2.25,;9.57,-3.8,;10.82,-4.7,;10.34,-6.16,;8.8,-6.16,;8.32,-4.7,;14.92,.81,;16.25,.04,)|

BDBM50164957

COc1ccccc1NC(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:12.12,19.22,(13.49,5.64,;14.84,4.87,;14.82,3.33,;16.15,2.56,;16.15,1,;14.82,.25,;13.49,1.02,;13.49,2.56,;12.16,3.33,;10.83,2.56,;10.83,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,)|

BDBM50164956

CSc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:10.9,17.19,(17.45,2.05,;16.12,1.28,;14.78,2.07,;14.78,3.61,;13.45,4.38,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;12.12,2.07,;13.45,1.3,)|

BDBM50164960

O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccsc1 |wU:3.2,10.12,(3.62,-.33,;3.62,1.22,;2.29,2,;.94,1.23,;-.39,2,;-1.16,.67,;.17,-.1,;-.39,-1.08,;-1.71,-.31,;-1.71,1.23,;.94,-.31,;2.29,-1.08,;2.28,-2.63,;.94,-3.4,;.94,-4.94,;2.28,-5.71,;3.62,-4.94,;3.61,-3.4,;4.96,1.99,;6.43,1.51,;7.33,2.76,;6.43,4.01,;4.96,3.55,)|

BDBM50164941

Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cnc3ccccc3c2)cc1 |wU:9.8,16.18,(16.8,-.65,;15.45,.12,;15.45,1.67,;14.12,2.44,;12.79,1.67,;11.46,2.44,;10.13,1.67,;10.13,.13,;8.8,2.45,;7.47,1.68,;6.14,2.47,;5.35,1.14,;6.68,.37,;6.14,-.61,;4.81,.14,;4.81,1.68,;7.47,.14,;8.8,-.63,;8.8,-2.17,;10.13,-2.92,;10.13,-4.46,;8.8,-5.23,;8.8,-6.77,;7.47,-7.54,;6.14,-6.77,;6.14,-5.23,;7.47,-4.46,;7.45,-2.92,;12.79,.13,;14.12,-.64,)|

BDBM50164904

COc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c(OC)c1 |wU:10.9,17.19,(17.81,-.05,;16.48,-.82,;15.14,-.03,;13.8,-.8,;12.47,-.03,;12.48,1.52,;11.15,2.29,;9.81,1.52,;9.81,-.02,;8.48,2.3,;7.15,1.53,;5.82,2.3,;5.04,.97,;6.37,.2,;5.82,-.78,;4.49,-.01,;4.49,1.53,;7.15,-.01,;8.48,-.78,;8.48,-2.32,;7.14,-3.09,;7.14,-4.63,;8.48,-5.4,;9.81,-4.63,;9.81,-3.09,;13.81,2.28,;13.82,3.82,;12.48,4.59,;15.14,1.51,)|

BDBM50164950

Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2ccccc2)cc1 |wU:9.8,16.18,(16.85,.86,;15.52,1.63,;14.17,.88,;12.84,1.65,;12.86,3.19,;11.53,3.96,;10.18,3.19,;10.18,1.65,;8.85,3.97,;7.52,3.2,;6.19,3.98,;4.86,3.2,;4.86,1.66,;6.19,.9,;6.74,1.88,;5.41,2.65,;7.52,1.66,;8.85,.89,;8.85,-.65,;10.18,-1.41,;10.18,-2.95,;8.85,-3.72,;7.52,-2.95,;7.51,-1.41,;14.19,3.96,;15.52,3.19,)|

BDBM50164919

O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)Nc1ccc(Oc2ccccc2)cc1 |wU:3.2,10.12,(9.46,2.08,;9.46,3.62,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;10.79,4.39,;12.12,3.62,;12.12,2.07,;13.45,1.3,;14.78,2.07,;16.12,1.28,;17.45,2.05,;17.45,3.59,;18.78,4.36,;20.12,3.59,;20.12,2.05,;18.78,1.28,;14.78,3.61,;13.45,4.38,)|

BDBM50164939

Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2ccccn2)cc1 |wU:9.8,16.18,(16.81,.46,;15.47,1.23,;15.47,2.78,;14.14,3.55,;12.81,2.78,;11.48,3.56,;10.13,2.79,;10.13,1.25,;8.8,3.56,;7.47,2.79,;6.14,3.57,;5.37,2.24,;6.7,1.47,;6.14,.49,;4.81,1.25,;4.81,2.79,;7.47,1.25,;8.8,.48,;8.8,-1.06,;7.47,-1.82,;7.47,-3.36,;8.8,-4.13,;10.13,-3.36,;10.13,-1.82,;12.79,1.24,;14.12,.47,)|

BDBM50164963

Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:9.8,16.18,(13.94,-1.03,;12.6,-.26,;12.6,1.28,;11.27,2.05,;9.94,1.28,;8.61,2.07,;7.26,1.3,;7.26,-.24,;5.93,2.07,;4.6,1.3,;3.27,2.08,;2.5,.75,;3.83,-.02,;3.27,-1,;1.94,-.24,;1.94,1.3,;4.6,-.24,;5.93,-1.01,;5.93,-2.55,;4.6,-3.31,;4.6,-4.85,;5.93,-5.62,;7.26,-4.85,;7.26,-3.31,;9.92,-.26,;11.25,-1.03,)|

BDBM50164905

O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)Nc1cccc(c1)C#N |wU:3.2,10.12,(9.46,2.08,;9.46,3.62,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.14,3.63,;4.14,2.09,;5.46,1.32,;6,2.3,;4.67,3.07,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;10.79,4.39,;12.12,3.62,;12.12,2.07,;13.45,1.3,;14.78,2.07,;14.78,3.61,;13.45,4.38,;16.12,4.38,;17.45,5.15,)|

BDBM50164928

Fc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:9.8,16.18,(17.5,.23,;16.15,1,;16.15,2.56,;14.82,3.33,;13.49,2.56,;12.16,3.33,;10.83,2.56,;10.83,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,;13.49,1.02,;14.82,.25,)|

BDBM50164962

Fc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:9.8,16.18,(16.12,1.3,;14.78,2.07,;13.45,1.3,;12.12,2.07,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;13.45,4.38,;14.78,3.61,)|

BDBM50164914

Brc1cccc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:10.10,17.20,(11.9,6.38,;11.9,4.83,;13.24,4.06,;13.24,2.52,;11.9,1.75,;10.57,2.53,;10.57,4.06,;9.24,1.75,;9.24,.21,;7.9,2.54,;6.55,1.77,;5.22,2.54,;3.9,1.77,;3.9,.23,;5.22,-.55,;5.78,.44,;4.45,1.21,;6.55,.23,;7.9,-.55,;7.89,-2.09,;6.55,-2.86,;6.55,-4.4,;7.89,-5.18,;9.24,-4.4,;9.22,-2.86,)|

BDBM50164961

Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2ccco2)cc1 |wU:9.8,16.18,(17.55,-2.27,;16.22,-1.5,;14.87,-2.27,;13.54,-1.5,;13.56,.04,;12.23,.82,;10.88,.05,;10.88,-1.49,;9.55,.83,;8.22,.06,;6.89,.83,;6.11,-.5,;7.44,-1.27,;6.89,-2.25,;5.56,-1.48,;5.56,.06,;8.22,-1.48,;9.55,-2.25,;9.55,-3.79,;10.8,-4.69,;10.32,-6.14,;8.78,-6.14,;8.31,-4.69,;14.89,.81,;16.22,.04,)|

BDBM50106488

Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |THB:4:13:19:17.16|

BDBM50166907

[O-][N+](=O)c1ccc2C3CC(CNC3)c2c1

BDBM50166908

C1C2CNCC1c1cc3nccnc3cc21

BDBM50166909

C1C2CNCC1c1ccccc21

BDBM50048392

CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1

BDBM50170584

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)NC(CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(O)CC1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(N)=O

BDBM50170588

CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O

BDBM50170592

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C=O

BDBM50240856

CN1C2CCC1C(C2)c1ccnnc1 |TLB:8:6:1:4.3|

BDBM50052593

CN1CCC[C@H]1c1cncc(c1)C#C

BDBM50170593

C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

BDBM50071366

COc1cc2CCC3CCNC3c2cn1

BDBM50170597

C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

BDBM50170589

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O

BDBM50140089

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O

BDBM50140087

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(N)=O

BDBM50170602

CN[C@@H](C)C\C=C\c1cncc(OC(C)C)c1

BDBM50170595

CN1CCC[C@H]1COc1cnc(Cl)c(c1)-c1ccc(Cl)cc1

BDBM50170605

CCCC1CCCNC(C1)c1cccnc1

BDBM50170594

COc1cc2CC[N+](C)(C)[C@@H]3Cc4cccc(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4O

BDBM50170600

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O

BDBM50170603

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O

BDBM50170606

CN1CCC[C@H]1CCSc1ccc(O)cc1

BDBM50170586

C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C=O

BDBM50171930

CN1[C@H](CCc2ccccc2)CC=C[C@@H]1CCc1ccccc1 |c:13|

BDBM50171934

CN1[C@@H](CC=C[C@@H]1CCc1ccccc1)\C=C\c1ccccc1 |c:4|

BDBM50171932

CN1[C@H](CCc2ccccc2)CCC[C@H]1\C=C\c1ccccc1

BDBM50171939

CN[C@H](CCCCCCc1ccccc1)CCc1ccccc1

BDBM50171940

CN1[C@@H](CCc2ccc3ccccc3c2)CCC[C@H]1CCc1ccc2ccccc2c1

BDBM50171942

CN1[C@@H](CCC[C@H]1\C=C\c1ccccc1)\C=C\c1ccccc1

BDBM50171931

C(Cc1ccc2ccccc2c1)[C@H]1CCC[C@@H](CCc2ccc3ccccc3c2)N1

BDBM50171936

C(Cc1cccc2ccccc12)[C@H]1CCC[C@@H](CCc2cccc3ccccc23)N1

BDBM50171947

CN1[C@@H](CCc2cccc3ccccc23)CCC[C@H]1CCc1cccc2ccccc12

BDBM50171929

C[N+]1(C)[C@@H](CCC[C@H]1\C=C\c1ccccc1)\C=C\c1ccccc1

BDBM50171943

C[N+]1(C)[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1

BDBM50171946

CN1[C@@H](CCc2ccccc2)CCC[C@H]1\C=C\c1ccccc1

BDBM50171935

CN1[C@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1

BDBM50171945

CN1[C@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1

BDBM50171951

C1C[C@@H](N[C@@H](C1)\C=C\c1ccccc1)\C=C\c1ccccc1

BDBM50171948

CN1[C@@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1

BDBM50080827

CN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r|

BDBM50171952

C[N+]1(C)[C@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1

BDBM50171944

C[N+]1(C)[C@@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1

BDBM50370599

C1C[C@@H](N[C@H](C1)\C=C\c1ccccc1)\C=C\c1ccccc1 |r|

BDBM50171953

C(Cc1ccccc1)[C@H]1CCC[C@@H](CCc2ccccc2)N1 |r|

BDBM50080813

CN(CCCc1ccccc1)CCCc1ccccc1

BDBM50171933

CN1[C@H](CCc2ccccc2)CCC[C@@H]1\C=C\c1ccccc1

BDBM50171938

CN1[C@@H](CCc2ccccc2)CCC[C@@H]1\C=C\c1ccccc1

BDBM50171949

CN[C@@H](CCCCCCc1ccccc1)CCc1ccccc1

BDBM50171937

CN(C\C=C\c1ccccc1)C\C=C\c1ccccc1

BDBM50080818

CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O

BDBM50171941

CN1[C@@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1

BDBM50162057

Ic1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|

BDBM50162056

Clc1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|

BDBM50162059

C=Cc1cncc(c1)C1CC2CCC1N2 |THB:6:8:14:12.11|

BDBM50162060

Nc1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|

BDBM50162061

C#Cc1cncc(c1)C1CC2CCC1N2 |THB:6:8:14:12.11|

BDBM50162062

CN1C2CCC1C(C2)c1cncc(I)c1 |TLB:8:6:1:4.3|

BDBM50162063

Fc1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|

BDBM50162064

Brc1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|

BDBM50161753

Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |wU:10.10,(-6.01,-2.41,;-4.68,-1.64,;-3.35,-2.41,;-2.01,-1.64,;-2.01,-.08,;-3.35,.69,;-4.68,-.08,;-.68,.69,;-.69,2.23,;.66,-.08,;1.99,.69,;1.98,2.23,;3.25,3,;4.04,1.67,;2.55,1.28,;3.32,-.08,;4.65,.69,;4.65,2.23,)|

BDBM50164607

Cc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(11.79,1.56,;10.31,1.11,;9.78,-.33,;8.24,-.29,;7.82,1.18,;9.08,2.05,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)|

BDBM50164606

Brc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(9.64,1.56,;8.17,1.11,;7.65,-.34,;6.1,-.29,;5.67,1.18,;6.94,2.06,;4.22,1.7,;2.95,.82,;1.71,1.77,;1.71,.23,;.38,-.55,;-.94,.23,;-.94,1.77,;.38,2.54,;-.23,1.35,;.87,.72,;2.25,3.22,;3.79,3.17,;4.73,4.39,)|

BDBM50164608

O=C1O[C@]2(CN1c1ccc3ccccc3c1)CN1CCC2CC1 |wD:3.2,(3.77,3.1,;2.81,1.89,;1.28,1.93,;.75,.48,;1.97,-.45,;3.25,.42,;4.79,.44,;5.53,1.77,;7.07,1.8,;7.86,.47,;9.39,.48,;10.18,-.82,;9.41,-2.18,;7.87,-2.19,;7.1,-.87,;5.56,-.89,;.75,-1.06,;-.58,-1.82,;-1.91,-1.06,;-1.91,.48,;-.58,1.26,;-1.21,.07,;-.09,-.57,)|

BDBM50164609

O=C1OC2(CN1c1ccccc1)CN1CCC2CC1 |(.4,3.63,;-.55,2.42,;-2.08,2.45,;-2.61,1,;-1.39,.06,;-.11,.95,;1.42,.96,;2.17,2.3,;3.7,2.33,;4.49,1,;3.74,-.33,;2.2,-.36,;-2.61,-.54,;-3.94,-1.29,;-3.46,-.05,;-4.57,.6,;-3.94,1.79,;-5.27,1,;-5.27,-.54,)|

BDBM50164610

O=C1O[C@]2(CN1c1cc3ccccc3s1)CN1CCC2CC1 |wD:3.2,(2.14,5.7,;1.18,4.49,;-.35,4.52,;-.88,3.07,;.34,2.12,;1.62,3.01,;3.17,3.02,;4.08,1.78,;5.53,2.27,;6.86,1.51,;8.2,2.29,;8.17,3.84,;6.84,4.6,;5.53,3.81,;4.06,4.27,;-.88,1.52,;-2.22,.76,;-1.73,2.01,;-2.85,2.66,;-2.22,3.85,;-3.55,3.07,;-3.55,1.52,)|

BDBM50164611

CCc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:9.19,(12.9,.48,;11.79,1.56,;10.31,1.11,;9.78,-.33,;8.24,-.29,;7.82,1.18,;9.08,2.05,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)|

BDBM50164612

O=C1O[C@@]2(CN1c1cccs1)CN1CCC2CC1 |wU:3.2,(.41,3.64,;-.55,2.43,;-2.08,2.46,;-2.61,1.01,;-1.4,.06,;-.11,.95,;1.43,.96,;1.9,-.5,;3.45,-.5,;3.93,.96,;2.68,1.87,;-2.61,-.54,;-3.95,-1.3,;-3.46,-.05,;-4.58,.6,;-3.95,1.79,;-5.28,1.01,;-5.28,-.54,)|

BDBM50164614

CC(=O)c1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:10.20,(10.76,.48,;9.64,1.56,;10.01,3.06,;8.17,1.11,;7.65,-.34,;6.1,-.29,;5.67,1.18,;6.94,2.06,;4.22,1.7,;2.95,.82,;1.71,1.77,;1.71,.23,;.38,-.55,;-.94,.23,;-.94,1.77,;.38,2.54,;-.23,1.35,;.87,.72,;2.25,3.22,;3.79,3.17,;4.73,4.39,)|

BDBM50164616

O=C1O[C@@]2(CN1c1nc3ccccc3o1)CN1CCC2CC1 |wU:3.2,(-.49,4.36,;-1.44,3.15,;-2.98,3.18,;-3.5,1.73,;-2.28,.79,;-1,1.67,;.52,1.68,;1.43,.44,;2.9,.93,;4.24,.18,;5.57,.96,;5.55,2.49,;4.21,3.24,;2.88,2.47,;1.43,2.94,;-3.5,.19,;-4.84,-.57,;-4.36,.68,;-5.46,1.32,;-4.84,2.52,;-6.16,1.73,;-6.16,.19,)|

BDBM50164615

O=C1O[C@@]2(CN1c1nc3ccccc3s1)CN1CCC2CC1 |wU:3.2,(3.13,3.83,;2.18,2.61,;.64,2.65,;.12,1.21,;1.34,.27,;2.61,1.14,;4.14,1.16,;5.05,-.08,;6.51,.41,;7.85,-.35,;9.18,.44,;9.16,1.98,;7.83,2.72,;6.5,1.94,;5.05,2.4,;.12,-.33,;-1.21,-1.1,;-.74,.16,;-1.84,.79,;-1.21,1.98,;-2.54,1.21,;-2.54,-.33,)|

BDBM50164617

O=C1O[C@@]2(CN1c1ccccn1)CN1CCC2CC1 |wU:3.2,(3.94,7.11,;3,5.89,;1.46,5.94,;.92,4.49,;2.15,3.55,;3.42,4.41,;4.97,4.44,;5.76,3.1,;7.29,3.13,;8.05,4.49,;7.25,5.8,;5.72,5.77,;.92,2.94,;-.41,2.17,;-1.73,2.94,;-1.73,4.49,;-.41,5.26,;-1.03,4.06,;.08,3.43,)|

BDBM50164620

Cc1csc(c1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(10.66,-1.61,;9.78,-.33,;10.31,1.11,;9.08,2.05,;7.82,1.18,;8.24,-.29,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)|

BDBM50164619

O=C1O[C@@]2(CN1c1ccc(s1)C#N)CN1CCC2CC1 |wU:3.2,(4.73,4.39,;3.79,3.17,;2.25,3.22,;1.71,1.77,;2.95,.82,;4.22,1.7,;5.67,1.18,;6.1,-.29,;7.65,-.34,;8.17,1.11,;6.94,2.06,;9.64,1.54,;11.13,1.98,;1.71,.23,;.38,-.55,;-.94,.23,;-.94,1.77,;.38,2.54,;-.23,1.35,;.87,.72,)|

BDBM50164621

O=C1O[C@@]2(CN1c1ccc3ccccc3c1)CN1CCC2CC1 |wU:3.2,(2.22,3.45,;1.27,2.24,;-.27,2.28,;-.8,.83,;.43,-.12,;1.71,.76,;3.25,.79,;3.98,2.12,;5.53,2.14,;6.32,.81,;7.86,.83,;8.64,-.49,;7.89,-1.83,;6.34,-1.86,;5.56,-.52,;4.03,-.55,;-.8,-.71,;-2.13,-1.48,;-3.45,-.71,;-3.45,.83,;-2.13,1.61,;-2.75,.41,;-1.65,-.22,)|

BDBM50164623

Cc1ccsc1N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(7.31,-1.52,;8.24,-.29,;9.78,-.33,;10.31,1.11,;9.08,2.05,;7.82,1.18,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)|

BDBM50164624

O=C1O[C@@]2(CN1c1ccc3ccccc3n1)CN1CCC2CC1 |wU:3.2,(4.74,1.79,;3.8,.58,;2.27,.61,;1.73,-.84,;2.96,-1.78,;4.23,-.89,;5.77,-.89,;6.52,.46,;8.06,.48,;8.85,-.85,;10.37,-.84,;11.16,-2.15,;10.41,-3.5,;8.87,-3.51,;8.08,-2.19,;6.56,-2.22,;1.73,-2.38,;.4,-3.13,;-.91,-2.38,;-.91,-.84,;.4,-.05,;-.21,-1.24,;.89,-1.89,)|

BDBM50164625

Cc1cc(sc1C)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:9.19,(10.66,-1.61,;9.78,-.33,;8.24,-.29,;7.82,1.18,;9.08,2.05,;10.31,1.11,;11.79,1.56,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)|

BDBM50164622

O=C1O[C@@]2(CN1c1cc3ccccc3s1)CN1CCC2CC1 |wU:3.2,(3.96,6.36,;3,5.13,;1.47,5.16,;.94,3.71,;2.16,2.78,;3.45,3.67,;4.99,3.67,;5.91,2.43,;7.36,2.92,;8.69,2.17,;10.02,2.94,;10,4.49,;8.67,5.24,;7.36,4.46,;5.88,4.93,;.94,2.17,;-.39,1.4,;.09,2.66,;-1.02,3.3,;-.39,4.49,;-1.72,3.71,;-1.72,2.17,)|

BDBM50164618

Clc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(9.64,1.56,;8.17,1.11,;7.65,-.34,;6.1,-.29,;5.67,1.18,;6.94,2.06,;4.22,1.7,;2.95,.82,;1.71,1.77,;1.71,.23,;.38,-.55,;-.94,.23,;-.94,1.77,;.38,2.54,;-.23,1.35,;.87,.72,;2.25,3.22,;3.79,3.17,;4.73,4.39,)|

BDBM50164626

O=C1O[C@@]2(CN1c1ccsc1)CN1CCC2CC1 |wU:3.2,(6.14,3.83,;5.19,2.61,;3.66,2.65,;3.13,1.21,;4.35,.27,;5.63,1.14,;7.16,1.16,;7.64,-.29,;9.18,-.29,;9.66,1.16,;8.41,2.07,;3.13,-.33,;1.8,-1.1,;2.29,.16,;1.17,.79,;1.8,1.98,;.47,1.21,;.47,-.33,)|

BDBM50164627

CC(C)c1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:10.20,(12.9,.48,;11.79,1.56,;12.14,3.05,;10.31,1.11,;9.78,-.33,;8.24,-.29,;7.82,1.18,;9.08,2.05,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)|

BDBM50164628

CC(O)c1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:10.20,(10.76,.48,;9.64,1.56,;10.01,3.06,;8.17,1.11,;7.65,-.34,;6.1,-.29,;5.67,1.18,;6.94,2.06,;4.22,1.7,;2.95,.82,;1.71,1.77,;1.71,.23,;.38,-.55,;.87,.72,;-.23,1.35,;.38,2.54,;-.94,1.77,;-.94,.23,;2.25,3.22,;3.79,3.17,;4.73,4.39,)|

BDBM50164629

O=C1O[C@@]2(CN1c1cc3ccccc3o1)CN1CCC2CC1 |wU:3.2,(2.49,2.31,;1.55,1.09,;.01,1.14,;-.53,-.31,;.7,-1.26,;1.98,-.38,;3.52,-.36,;4.44,-1.6,;5.89,-1.12,;7.24,-1.88,;8.57,-1.09,;8.55,.45,;7.21,1.19,;5.89,.41,;4.43,.88,;-.53,-1.86,;-1.87,-2.63,;-1.37,-1.37,;-2.48,-.73,;-1.87,.46,;-3.19,-.31,;-3.19,-1.86,)|

BDBM50173941

C(Nc1cnc2O[C@@]3(Cc2c1)CN1CCC3CC1)c1cccnc1 |wD:7.6,TLB:6:7:16.17:14.13,THB:8:7:16.17:14.13,(5.74,-6.24,;5.52,-4.72,;4.08,-4.15,;2.87,-5.11,;1.44,-4.53,;1.22,-3.01,;-.07,-2.16,;.35,-.66,;1.88,-.62,;2.42,-2.06,;3.85,-2.63,;.05,.74,;-1.29,1.35,;-2.78,.7,;-2.57,-.69,;-1.02,-.03,;-.77,1.88,;-1.23,2.99,;7.18,-6.82,;7.39,-8.35,;8.84,-8.92,;10.04,-7.95,;9.81,-6.42,;8.38,-5.86,)|

BDBM50173947

O=C(NC1CN2CCC1CC2)c1cc(sn1)-c1ccccc1 |TLB:2:3:9.10:7.6,(13.39,-.1,;12.83,-1.54,;11.29,-1.76,;10.35,-.54,;10.06,.85,;8.72,1.46,;7.24,.81,;7.45,-.57,;8.99,.09,;9.23,1.98,;8.78,3.09,;13.78,-2.74,;13.36,-4.23,;14.64,-5.08,;15.86,-4.13,;15.32,-2.68,;14.7,-6.62,;16.05,-7.33,;16.12,-8.86,;14.82,-9.69,;13.45,-8.96,;13.39,-7.42,)|

BDBM50173948

COc1ccccc1-c1ccc(s1)C(=O)NC1CN2CCC1CC2 |THB:15:16:22.23:20.19,(5.75,-5.31,;7.22,-5.72,;7.62,-7.2,;9.09,-7.62,;9.49,-9.11,;8.39,-10.19,;6.9,-9.78,;6.52,-8.29,;5.04,-7.87,;3.84,-8.83,;2.55,-7.97,;2.97,-6.48,;4.51,-6.42,;2.02,-5.28,;2.58,-3.84,;.49,-5.49,;-.46,-4.28,;-.75,-2.88,;-2.09,-2.27,;-2.03,-.64,;-1.58,-1.75,;-1.84,-3.64,;-3.38,-4.3,;-3.57,-2.93,)|

BDBM50173942

O=C(N[C@H]1CN2CCC1CC2)c1ccc(s1)-c1ccccc1 |wD:3.2,THB:2:3:9.10:7.6,(.22,-.91,;-.34,-2.35,;-1.87,-2.56,;-2.82,-1.34,;-3.11,.06,;-4.46,.67,;-4.4,2.31,;-3.94,1.19,;-4.2,-.71,;-5.74,-1.36,;-5.94,.02,;.62,-3.55,;.19,-5.03,;1.48,-5.9,;2.69,-4.94,;2.15,-3.49,;4.17,-5.36,;4.17,-6.88,;5.49,-7.67,;6.84,-6.91,;6.84,-5.36,;5.5,-4.59,)|

BDBM50173950

Clc1ccccc1-c1ccc(s1)C(=O)NC1CN2CCC1CC2 |THB:14:15:21.22:19.18,(6.36,-3.68,;6.75,-5.17,;8.23,-5.58,;8.62,-7.09,;7.52,-8.16,;6.03,-7.74,;5.66,-6.24,;4.17,-5.82,;2.97,-6.78,;1.68,-5.93,;2.1,-4.45,;3.63,-4.38,;1.14,-3.23,;1.71,-1.81,;-.39,-3.46,;-1.33,-2.24,;-1.63,-.84,;-2.97,-.23,;-2.91,1.4,;-2.45,.3,;-2.7,-1.6,;-4.24,-2.27,;-4.45,-.89,)|

BDBM50173953

O=C(N[C@H]1CN2CCC1CC2)c1ccc(s1)-c1ccccn1 |wD:3.2,THB:2:3:9.10:7.6,(3.4,-.23,;2.83,-1.67,;1.29,-1.88,;.35,-.66,;.05,.74,;-1.29,1.35,;-1.23,2.99,;-.77,1.87,;-1.02,-.03,;-2.57,-.69,;-2.78,.69,;3.79,-2.88,;3.37,-4.36,;4.66,-5.22,;5.86,-4.27,;5.32,-2.82,;7.35,-4.69,;8.45,-3.6,;9.93,-4.01,;10.32,-5.52,;9.22,-6.6,;7.73,-6.18,)|

BDBM50173952

O=C(NC1CN2CCC1CC2)c1cc2ccccc2s1 |THB:2:3:9.10:7.6,(2.61,.02,;2.05,-1.43,;.52,-1.65,;-.44,-.43,;-.73,.98,;-2.08,1.59,;-2.02,3.23,;-1.56,2.11,;-1.82,.21,;-3.37,-.45,;-3.58,.93,;3.01,-2.63,;2.59,-4.13,;3.87,-4.99,;4.09,-6.52,;5.52,-7.09,;6.74,-6.13,;6.52,-4.6,;5.09,-4.03,;4.55,-2.58,)|

BDBM50173951

O=C(N[C@@H]1CN2CCC1CC2)c1ccc(s1)-c1ccccc1 |wU:3.2,THB:2:3:9.10:7.6,(.02,-.24,;-.55,-1.68,;-2.07,-1.9,;-3.03,-.69,;-3.31,.72,;-4.67,1.32,;-4.6,2.96,;-4.14,1.85,;-4.4,-.05,;-5.94,-.71,;-6.14,.67,;.41,-2.88,;-.02,-4.38,;1.27,-5.24,;2.49,-4.28,;1.95,-2.83,;3.96,-4.7,;3.96,-6.23,;5.29,-7,;6.62,-6.24,;6.64,-4.7,;5.29,-3.93,)|

BDBM50170587

O=C(NC1CN2CCC1CC2)c1ccc(s1)-c1ccccn1 |THB:2:3:9.10:7.6,(1.44,-.29,;1.92,1.19,;.87,2.33,;-.62,2,;-1.43,.87,;-3.01,1.83,;-4.67,.94,;-3.9,2.17,;-2.18,2.94,;-2.19,4.03,;-3.01,3.2,;3.43,1.5,;4.05,2.92,;5.58,2.75,;5.91,1.24,;4.56,.47,;7.31,.61,;7.47,-.92,;8.88,-1.55,;10.12,-.64,;9.96,.9,;8.55,1.52,)|

BDBM50173949

O=C(NC1CN2CCC1CC2)c1csc(c1)-c1ccccc1 |TLB:2:3:9.10:7.6,(13.39,-.1,;12.83,-1.54,;11.29,-1.76,;10.35,-.54,;10.06,.85,;8.72,1.46,;7.24,.81,;7.45,-.57,;8.99,.09,;9.23,1.98,;8.78,3.09,;13.78,-2.74,;15.32,-2.68,;15.86,-4.13,;14.64,-5.08,;13.36,-4.23,;14.7,-6.62,;16.05,-7.33,;16.12,-8.86,;14.82,-9.69,;13.45,-8.96,;13.39,-7.42,)|

BDBM50173954

O=C(NC1CN2CCC1CC2)c1csc(n1)-c1ccccc1 |TLB:2:3:9.10:7.6,(13.39,-.1,;12.83,-1.54,;11.29,-1.76,;10.35,-.54,;10.06,.85,;8.72,1.46,;7.24,.81,;7.45,-.57,;8.99,.09,;9.23,1.98,;8.78,3.09,;13.78,-2.74,;15.32,-2.68,;15.86,-4.13,;14.64,-5.08,;13.36,-4.23,;14.7,-6.62,;16.05,-7.33,;16.12,-8.86,;14.82,-9.69,;13.45,-8.96,;13.39,-7.42,)|

BDBM50173943

O=C(NC1CN2CCC1CC2)c1ccc(s1)-c1ccccc1 |THB:2:3:9.10:7.6,(5.48,-.12,;4.92,-1.57,;3.39,-1.79,;2.44,-.57,;2.15,.83,;.8,1.44,;.87,3.08,;1.32,1.96,;1.06,.07,;-.48,-.59,;-.68,.79,;5.88,-2.77,;5.46,-4.26,;6.74,-5.12,;7.95,-4.16,;7.41,-2.71,;9.43,-4.58,;9.43,-6.11,;10.76,-6.88,;12.1,-6.13,;12.1,-4.58,;10.77,-3.81,)|

BDBM50173945

O=C(NC1CN2CCC1CC2)c1ccc(s1)-c1cccs1 |THB:2:3:9.10:7.6,(5.22,-2.93,;4.66,-4.37,;3.13,-4.59,;2.18,-3.38,;1.89,-1.97,;.55,-1.36,;.61,.27,;1.06,-.84,;.8,-2.74,;-.74,-3.4,;-.94,-2.02,;5.62,-5.57,;5.2,-7.07,;6.49,-7.93,;7.69,-6.97,;7.16,-5.52,;9.18,-7.39,;9.64,-8.87,;11.18,-8.87,;11.66,-7.41,;10.43,-6.49,)|

BDBM50173956

O=C(N[C@H]1CN2CCC1CC2)c1ccc(s1)-c1ccccc1 |wD:3.2,THB:2:3:9.10:7.6,(.02,-.24,;-.55,-1.68,;-2.07,-1.9,;-3.03,-.69,;-3.31,.72,;-4.67,1.32,;-4.6,2.96,;-4.14,1.85,;-4.4,-.05,;-5.94,-.71,;-6.14,.67,;.41,-2.88,;-.02,-4.38,;1.27,-5.24,;2.49,-4.28,;1.95,-2.83,;3.96,-4.7,;3.96,-6.23,;5.29,-7,;6.62,-6.24,;6.64,-4.7,;5.29,-3.93,)|

BDBM50173955

O=C1NC[C@]2(CN3CCC2CC3)O1 |wU:4.13,TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(4.39,-3.06,;2.92,-2.63,;1.7,-3.59,;.41,-2.73,;.83,-1.24,;.55,.16,;-.81,.77,;-2.29,.12,;-2.09,-1.27,;-.54,-.59,;-.28,1.31,;-.74,2.41,;2.38,-1.18,)|

BDBM50174177

CCCn1cnc2cc3C4CC(CNC4)c3cc12

BDBM50174147

CCCCn1cnc2cc3C4CC(CNC4)c3cc12

BDBM50190677

Brc1coc2ccc(cc12)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:12.23,TLB:11:12:16.15:18.19,THB:20:12:16.15:18.19,(18.37,-17.66,;16.95,-18.23,;16.58,-19.73,;15.04,-19.83,;14.48,-18.4,;13.03,-17.88,;12.76,-16.36,;13.94,-15.36,;15.38,-15.89,;15.65,-17.41,;13.87,-13.82,;12.58,-12.98,;12.99,-11.49,;12.71,-10.09,;11.36,-9.48,;9.89,-10.13,;10.08,-11.51,;11.62,-10.85,;11.87,-8.95,;11.43,-7.84,;14.52,-11.41,;15.07,-12.85,;16.56,-13.26,)|

BDBM50190684

Cn1c2ccc(cc2sc1=O)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(22.74,-23.72,;23.45,-22.36,;22.77,-20.99,;21.29,-20.58,;20.91,-19.1,;22,-18.02,;23.48,-18.43,;23.87,-19.91,;25.23,-20.62,;24.98,-22.14,;26.05,-23.24,;21.9,-16.11,;20.31,-15.06,;20.8,-13.22,;20.46,-11.49,;18.78,-10.73,;16.96,-11.53,;17.2,-13.25,;19.11,-12.43,;19.42,-10.07,;18.87,-8.7,;22.71,-13.12,;23.39,-14.91,;25.24,-15.4,)|

BDBM50190686

Cc1oc2ccc(cc2c1C)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(27.52,-20.9,;26.53,-19.72,;25,-19.82,;24.43,-18.39,;22.98,-17.87,;22.71,-16.35,;23.89,-15.35,;25.34,-15.88,;25.6,-17.4,;26.9,-18.22,;28.33,-17.65,;23.82,-13.81,;22.53,-12.96,;22.94,-11.47,;22.66,-10.07,;21.3,-9.46,;19.83,-10.11,;20.03,-11.49,;21.57,-10.83,;21.82,-8.93,;21.38,-7.82,;24.48,-11.4,;25.02,-12.84,;26.52,-13.24,)|

BDBM50190687

O=C1O[C@]2(CN1c1ccc3CCCc3c1)CN1CCC2CC1 |wU:3.2,TLB:4:3:18.17:20.21,THB:2:3:18.17:20.21,(14.11,.37,;12.62,.78,;12.07,2.22,;10.53,2.14,;10.12,.65,;11.42,-.19,;11.49,-1.74,;10.3,-2.73,;10.57,-4.26,;12.02,-4.78,;12.59,-6.21,;14.12,-6.1,;14.5,-4.61,;13.19,-3.79,;12.93,-2.27,;10.25,3.53,;8.9,4.15,;7.43,3.5,;7.62,2.12,;9.16,2.78,;9.42,4.68,;8.97,5.79,)|

BDBM50190696

Brc1ccc(s1)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:8.18,TLB:7:8:12.11:14.15,THB:16:8:12.11:14.15,(5.67,-5.62,;4.7,-4.42,;3.16,-4.5,;2.61,-3.06,;3.81,-2.09,;5.1,-2.93,;3.74,-.55,;2.45,.29,;2.85,1.77,;2.57,3.17,;1.22,3.79,;-.25,3.14,;-.05,1.76,;1.49,2.42,;1.74,4.32,;1.29,5.43,;4.39,1.85,;4.93,.41,;6.42,.01,)|

BDBM50190695

O=C1O[C@]2(CN1c1ccc3ncccc3c1)CN1CCC2CC1 |wU:3.2,TLB:4:3:19.18:21.22,THB:2:3:19.18:21.22,(23.22,.49,;21.73,.89,;21.19,2.32,;19.65,2.25,;19.24,.76,;20.53,-.08,;20.6,-1.62,;19.42,-2.61,;19.69,-4.13,;21.14,-4.66,;21.41,-6.18,;22.86,-6.69,;24.04,-5.68,;23.75,-4.17,;22.31,-3.66,;22.04,-2.16,;19.36,3.65,;18.02,4.25,;16.55,3.61,;16.74,2.23,;18.28,2.89,;18.54,4.78,;18.09,5.89,)|

BDBM50190698

Cn1c2ccc(cc2oc1=O)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(13.44,-22.67,;14.15,-21.31,;13.47,-19.94,;11.99,-19.53,;11.61,-18.05,;12.7,-16.97,;14.18,-17.38,;14.57,-18.86,;15.93,-19.57,;15.67,-21.09,;16.75,-22.18,;12.6,-15.05,;11.01,-14.01,;11.5,-12.17,;11.16,-10.43,;9.48,-9.68,;7.66,-10.48,;7.9,-12.2,;9.81,-11.38,;10.12,-9.02,;9.57,-7.65,;13.4,-12.07,;14.09,-13.86,;15.94,-14.35,)|

BDBM50188948

C[N+](C)(C)CCOc1ccc(CCc2ccccc2)nc1

CN(C)CCOc1cccnc1

CNCCCc1cccnc1

CNC\C=C/c1cccnc1

C[N+](C)(C)CCCOc1cccnc1

BDBM50188954

C[N+](C)(C)CCOc1ccc(\C=C\c2ccccc2)nc1

BDBM50135703

C[N+](C)(C)CCOc1cccnc1

BDBM50188955

C[NH+](C)CCOc1ccc(\C=C\c2ccccc2)cc1

BDBM50168255

CN1CCCC1c1ccc(CCc2ccccc2)nc1

BDBM50188956

C[N+](C)(C)CCOc1ccccc1

BDBM50188957

C[N+](C)(C)CCOc1ccc(CCc2ccccc2)cc1

BDBM50188958

C[NH+](C)CCOc1ccc(\C=C\c2ccccc2)nc1

BDBM50120586

CNCCOc1cccnc1

BDBM50115811

CCN(C)CCOc1cccnc1

BDBM50188960

C[NH+](C)CCOc1ccc(CCc2ccccc2)nc1

CN(C)C\C=C\c1cccnc1

C[NH+](C)CCOc1ccccc1

CNC\C=C\c1cccnc1

CN(C)CCCc1cccnc1

C[NH+](C)CCOc1ccc(CCc2ccccc2)cc1

BDBM50194073

Clc1ccc(cn1)C1CC2CCCC1N2 |THB:4:7:14:10.12.11|

BDBM50194074

Clc1ccc(cn1)C1CC2CC1CN2 |THB:4:7:10:12.13|

BDBM50370830

CN1CCC[C@@H]1[C@H]1COc2ccccc2O1 |r|

BDBM50370829

CN1CCC[C@H]1[C@@H]1COc2ccccc2O1 |r|

BDBM50177168

N[C@@H]1C2CCC1[C@H](C2)c1ccc(Cl)nc1 |r,TLB:8:6:3.4:1|

BDBM50177170

Clc1ccc(cn1)[C@H]1CC2CCC1[C@H]2NCc1ccccc1 |r,THB:4:7:10.11:13|

BDBM50177171

Clc1ccc(cn1)[C@H]1CC2CCC1[C@@H]2NCc1ccccc1 |r,THB:4:7:10.11:13|

BDBM50177172

Clc1ccc(cn1)[C@H]1CC2CCC1N2 |r,THB:4:7:10.11:13|

BDBM50177173

N[C@H]1C2CCC1[C@H](C2)c1ccc(Cl)nc1 |r,TLB:8:6:3.4:1|

BDBM50204414

C1C[NH+]2CCC1\C(C2)=C/c1ccccc1 |(-3.05,-.62,;-3.06,-2.16,;-4.39,-2.93,;-4.96,-1.93,;-3.62,-1.17,;-4.39,.16,;-5.72,-.62,;-5.72,-2.16,;-7.06,.15,;-7.05,1.69,;-8.39,2.46,;-8.39,4.01,;-7.06,4.78,;-5.72,4.01,;-5.72,2.46,)|

BDBM50204415

C[N+]12CCC(CC1)CC2

BDBM50204416

COc1ccc(\C=C2\C[NH+]3CCC2CC3)cc1 |(3.13,5.23,;1.8,4.46,;1.8,2.92,;.47,2.15,;.47,.6,;1.8,-.17,;1.8,-1.71,;3.14,-2.48,;3.14,-4.01,;4.46,-4.78,;5.8,-4.02,;5.81,-2.48,;4.47,-1.7,;5.23,-3.03,;3.9,-3.79,;3.14,.6,;3.14,2.15,)|

BDBM50220041

C[N+](C)(Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)Cc1ccc(cc1)[N+]([O-])=O)c1ccccc31)Cc1ccc(cc1)[N+]([O-])=O

BDBM50220047

Brc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H]2[C@@H]5[C@@H]4N([C@@H]4OCC=C6C[N+]7(Cc8ccc(Br)cc8)CC[C@@]89[C@@H]7C[C@@H]6[C@@H]4[C@@H]8N([C@@H]5OCC=C2C3)c2ccccc92)c2ccccc2)cc1 |w:6.5,22.24,c:51,t:21,TEB:5:6:11:14.13.9,23:22:33.38.37:35|

BDBM50220051

C[N+]12CC[C@H]3[C@@H]1C[C@@H](\C(C2)=C/CO)\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@H]7[C@@]4(CC[N+]7(C)CC6=CCO[C@H]5N([C@H]31)c1ccccc1)c1ccccc21 |w:1.0,24.28,c:32,t:15,TEB:0:1:6:33.13.4,25:24:21.16.17:19|

BDBM50220049

C[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(C)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:1.0,17.19,c:38,t:16,TEB:0:1:6:9.8.4,18:17:21.26.25:23|

BDBM50220044

OC\C=C1\C[N+]2(Cc3ccc(cc3)[N+]([O-])=O)CCC3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@H]7[C@@]4(CC[N+]7(Cc4ccc(cc4)[N+]([O-])=O)CC6=CCO[C@H]5N([C@H]31)c1ccccc1)c1ccccc21 |w:18.18,33.38,5.5,c:52,t:25,TEB:17:18:20:5.3.4,34:33:30.25.26:28,6:5:20:51.22.18|

BDBM50220046

C[N+](C)(C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)C)c1ccccc31

BDBM50220057

COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H]2[C@@H]5[C@@H]4N([C@@H]4OCC=C6C[N+]7(Cc8ccc(OC)c(OC)c8)CC[C@@]89[C@@H]7C[C@@H]6[C@@H]4[C@@H]8N([C@@H]5OCC=C2C3)c2ccccc92)c2ccccc2)cc1OC |w:7.6,23.25,c:55,t:22,TEB:6:7:12:15.14.10,24:23:37.42.41:39|

BDBM50220060

CN(C)Cc1c2Cn3c(Cn2c2ccccc12)c(CN(C)C)c1ccccc31

BDBM50220058

C[N+]12CCC34[C@@H]1C[C@@H](\C(C2)=C/CO)\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N+]3(C)C\C1=C\CO)c1ccccc21 |w:4.3,33.41,1.0,c:19,t:15,TEB:34:33:28:17.16.30,0:1:4.20.13:6,3:4:6:1.8.9|

BDBM50220061

C(c1ccccc1)[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(Cc7ccccc7)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:7.7,23.26,c:52,t:23,TEB:0:7:12:15.14.10,24:23:33.38.37:35|

BDBM50220048

CC(=O)OCC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(CCOC(C)=O)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:6.5,22.24,c:48,t:21,TEB:23:22:31.36.35:33,5:6:11:14.13.9|

BDBM50220042

COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H](\C(C3)=C/CO)\C2=C\N3[C@H]5[C@H]6[C@H]7C[C@H]8[C@@]5(CC[N+]8(Cc5ccc(OC)c(OC)c5)CC7=CCO[C@H]6N([C@H]42)c2ccccc2)c2ccccc32)cc1OC |w:30.34,7.6,c:49,t:21,TEB:31:30:27.22.23:25,6:7:12:49.19.10|

BDBM50220053

C\C=C\C[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(C\C=C\C)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:4.3,20.22,c:44,t:19,TEB:21:20:27.32.31:29,3:4:9:12.11.7|

BDBM50220040

C1CN2CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2CN3CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)c1ccccc1 |t:4,23|

BDBM50220056

C=CC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(CC=C)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:3.2,19.21,c:42,t:18,TEB:20:19:25.30.29:27,2:3:8:11.10.6|

BDBM50220054

C=CC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5CN6CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:3.2,c:39,t:18,TEB:2:3:8:11.10.6|

BDBM50220059

OC\C=C1\CN2CC[C@H]3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@]47c4ccccc24)CC6=CCO[C@H]5N([C@H]31)c1ccccc1 |c:38,t:14|

BDBM50220062

C(c1ccc2ccccc2c1)[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(Cc7ccc8ccccc8c7)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:11.12,27.31,c:62,t:28,TEB:0:11:16:19.18.14,28:27:41.46.45:43|

BDBM50220052

OC\C=C1\C[N+]2(CC=C)CCC34[C@@H]2C[C@@H]1\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N+]3(CC=C)C\C1=C\CO)c1ccccc21 |w:11.10,35.43,5.5,c:21,t:17,TEB:36:35:30:19.18.32,6:5:11.22.15:13,10:11:13:5.3.4|

BDBM50220055

OC\C=C1\C[N+]2(CC[C@H]3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@H]7[C@@]4(CC[N+]7(CC6=CCO[C@H]5N([C@H]31)c1ccccc1)C1CCCC=C1)c1ccccc21)C1CCCC=C1 |w:5.5,38.47,23.25,50.62,c:30,51,66,t:14,TEB:6:5:10:31.12.8,22:23:20.15.16:18|

BDBM50220050

C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2C[N+]3(CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)C1CCCC=C1)c1ccccc1)C1CCCC=C1 |w:22.26,38.49,50.63,2.2,c:53,67,t:4,23,TEB:23:22:25.30.29:27|

BDBM50220043

[O-][N+](=O)c1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H]2[C@@H]5[C@@H]4N([C@@H]4OCC=C6C[N+]7(Cc8ccc(cc8)[N+]([O-])=O)CC[C@@]89[C@@H]7C[C@@H]6[C@@H]4[C@@H]8N([C@@H]5OCC=C2C3)c2ccccc92)c2ccccc2)cc1 |w:8.7,24.26,c:55,t:23,TEB:7:8:13:16.15.11,25:24:37.42.41:39|

BDBM50220045

C[N+](C)(CC=C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)CC=C)c1ccccc31

BDBM50372618

CN(C)CCCn1c(Cc2ccc(Br)cc2)nc2ccccc12

BDBM50372619

Fc1ccccc1NC(=O)OC1CN2CCC1CC2 |THB:10:11:14.15:18.17,(-1.7,6.61,;-1.7,5.07,;-.37,4.3,;-.38,2.75,;-1.72,1.99,;-3.04,2.77,;-3.03,4.31,;-4.36,5.08,;-5.69,4.32,;-5.7,2.78,;-7.02,5.1,;-8.36,4.34,;-8.06,2.83,;-9.54,3.51,;-11.21,2.8,;-11.42,4.29,;-9.83,5,;-9.75,6.77,;-9.27,5.57,)|

BDBM50372620

CN(C)CCCn1c(Cc2ccc(Br)cc2)nc2ccc(C)cc12

BDBM50372621

CN1CCN(CCCn2c(COc3cccc(Cl)c3)nc3ccccc23)CC1

BDBM50372622

CN1CCCC1CCn1c(Cc2ccc(Br)cc2)nc2ccccc12 |w:5.6|

BDBM50372623

CN(C)CCCn1c(COc2ccccc2)nc2ccccc12

BDBM50372624

CN1C2CCC1CC(C2)NC(=O)Nc1ccc(Br)cc1 |w:2.9,5.6,THB:9:7:1:3.4|

BDBM50373060

CCOC(=O)C(C=Nc1ccc(OCC)cc1)C(=O)c1ccccc1Cl |w:6.5|

BDBM32212

Oc1ccc2[nH]ccc2c1

BDBM50375265

O=c1cccc2n1CC13CC21CNC3 |w:8.8,10.13|

BDBM50375266

O=c1cccc2C3CNCC3Cn12 |w:10.9,6.6|

BDBM50377052

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2OCCOc2c1 |TLB:2:3:9:7.6|

BDBM50377047

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cccn2cn1 |TLB:2:3:9:7.6|

BDBM50377048

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2sccc2cn1 |TLB:2:3:9:7.6|

BDBM50377049

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2occc2c1 |TLB:2:3:9:7.6|

BDBM50377050

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2cn1 |TLB:2:3:9:7.6|

BDBM50377053

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2ncsc2c1 |TLB:2:3:9:7.6|

BDBM50377051

Clc1ccc(cc1)C(=O)N[C@@H]1C[C@H]2CCN(C2)C1 |TLB:9:10:16:14.13|

BDBM50292360

CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)ccc3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14 |r,wU:43.47,38.42,4.4,35.38,wD:30.31,28.30,31.33,27.51,46.49,41.45,24.26,34.35,TLB:22:4:27:43.41,43:46:23.22.24:3.2.47,41:35:31:28.29,1:2:27:43.41,THB:4:46:47:35.28.34,39:38:31:28.29,44:43:47:35.28.34,36:35:31:28.29,(15.79,-22.97,;16.54,-24.36,;19.21,-24.36,;17.63,-26.66,;18.97,-25.9,;18.97,-27.44,;17.64,-28.21,;17.64,-29.75,;16.31,-30.52,;18.98,-30.52,;20.29,-29.75,;21.63,-30.51,;21.63,-32.05,;20.3,-32.82,;18.97,-32.06,;17.63,-32.82,;17.47,-34.36,;18.61,-35.39,;15.97,-34.68,;15.2,-33.34,;16.23,-32.2,;14.89,-31.43,;17.64,-25.14,;17.64,-23.6,;18.97,-22.83,;18.97,-21.29,;17.64,-20.52,;20.3,-23.6,;21.51,-22.63,;21.36,-21.09,;22.78,-20.48,;23.81,-21.64,;25.34,-21.5,;26.23,-22.76,;23.01,-22.97,;23.68,-24.36,;24.77,-25.44,;26.79,-24.3,;26.84,-20.46,;27.9,-19.34,;29.4,-19.7,;23.02,-25.76,;23.94,-26.99,;21.51,-26.11,;21.17,-27.61,;22.3,-28.65,;20.3,-25.14,;20.29,-22.06,)|

BDBM50254538

CNC(=O)OCCC(C)N(C)C

BDBM50275263

CC(CCOC(=O)N1CCCC1)N(C)C

BDBM50275264

CC(CCOC(=O)N1CCCCC1)N(C)C

BDBM50275265

CC(CCOC(=O)N1CCC1)N(C)C

BDBM50275266

CC(CCOC(=O)N1CC(C)(C)C1)N(C)C

BDBM50275267

CC(CCOC(=O)N1CC(F)(F)C1)N(C)C

BDBM50275302

C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|

BDBM50275306

CC(CCOC(=O)n1cccc1)N(C)C

BDBM50275307

CC(CCOC(C)=O)N(C)C

BDBM50274820

CC(CCOC(=O)C1CCC1)N(C)C

BDBM50274821

CC(CCOC(=O)c1ccccc1)N(C)C

BDBM50275304

CC(CCOC(=O)N1CCC1C)N(C)C

BDBM50275305

CC(CCOC(=O)N1CCC1(C)C)N(C)C

BDBM50275308

CC(C)C(=O)OCCC(C)N(C)C

BDBM50274819

CC(CCOC(=O)C1CC1)N(C)C

BDBM50279371

Clc1ccc(cn1)N1C[C@@H]2CNC[C@@H]2C1 |r|

BDBM50279403

COc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r|

BDBM50279401

Brc1ccc(cn1)N1C[C@@H]2CNC[C@@H]2C1 |r|

BDBM50278957

CCN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r|

BDBM50278909

C[N+]1(C)C[C@@H]2CN(C[C@@H]2C1)c1ccc(Cl)nc1 |r|

BDBM50279404

CCOc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r|

BDBM50279370

CN1C[C@H]2CN(C[C@H]2C1)c1cccnc1 |r|

BDBM50278881

C1NC[C@@H]2CN(C[C@H]12)c1cncc(c1)-c1ccccc1 |r|

BDBM50279400

CN1C[C@H]2CN(C[C@H]2C1)c1ccc(Cl)nc1 |r|

BDBM50279405

CCCOc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r|

BDBM50278877

C(Oc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1)c1ccccc1 |r|

BDBM50278878

CC(C)Oc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r|

BDBM50278879

C1NC[C@@H]2CN(C[C@H]12)c1cncc(c1)N1CCOCC1 |r|

BDBM50278880

Oc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r|

BDBM50278906

CN1C[C@H]2CN(C[C@H]2C1)c1cncc(c1)-c1ccccc1 |r|

BDBM50278910

C1NC[C@@H]2CN(C[C@H]12)c1ccccn1 |r|

BDBM50278931

C1NC[C@@H]2CN(C[C@H]12)c1ccncc1 |r|

BDBM50278992

CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1cc(C)cc(C)c1 |r|

BDBM50279369

C1NC[C@@H]2CN(C[C@H]12)c1cccnc1 |r|

BDBM50278955

C1NC[C@@H]2CN(C[C@H]12)c1ccc(nn1)-c1ccccc1 |r|

BDBM50279059

CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccc2[nH]ccc2c1 |r|

BDBM50278989

CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1cccc(C)c1 |r|

BDBM50279017

CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccc(O)cc1 |r|

BDBM50278958

C[N+]1(C)C[C@@H]2CN(C[C@@H]2C1)c1ccc(nn1)-c1ccccc1 |r|

BDBM50279057

CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1cccc(O)c1 |r|

BDBM50278907

C1NC[C@@H]2CN(C[C@H]12)c1ccc(nc1)-c1ccccc1 |r|

BDBM50278956

CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r|

BDBM50278959

CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccc(C)cc1 |r|

BDBM50278935

CN1C[C@H]2CN(C[C@H]2C1)c1ccc(cc1)-c1ccccc1 |r|

BDBM50278933

CN1C[C@H]2CN(C[C@H]2C1)c1ccc(cn1)-c1ccccc1 |r|

BDBM50279016

COc1ccc(cc1)-c1ccc(nn1)N1C[C@@H]2CN(C)C[C@@H]2C1 |r|

BDBM50278934

C1NC[C@@H]2CN(C[C@H]12)c1ccc(cc1)-c1ccccc1 |r|

BDBM50278932

C1NC[C@@H]2CN(C[C@H]12)c1ccc(cn1)-c1ccccc1 |r|

BDBM50279058

CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nc1)-c1cccc(c1)[N+]([O-])=O |r|

BDBM50278991

CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nc1)-c1cccc(c1)-c1ccccc1 |r|

BDBM50279402

Brc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r|

BDBM50296713

O=C(Oc1cccc(Oc2ccccc2)c1)N1CCN2CCC1CC2 |TLB:1:16:21.20:23.24,(-5.13,-23.49,;-4.85,-25.07,;-3.34,-25.62,;-2.12,-24.58,;-2.4,-23.01,;-1.18,-21.98,;.33,-22.52,;.61,-24.1,;2.06,-24.63,;3.24,-23.64,;4.68,-24.17,;5.86,-23.18,;5.59,-21.66,;4.13,-21.14,;2.96,-22.13,;-.61,-25.13,;-6.08,-26.1,;-5.7,-27.63,;-6.74,-26.88,;-8.18,-26.95,;-8.26,-25.18,;-7.61,-23.98,;-7.54,-25.46,;-8.89,-26.19,;-9.21,-27.69,)|

BDBM50296714

O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCN2CCC1CC2 |TLB:1:16:21.20:23.24,(21.87,-16.87,;22.15,-18.45,;23.66,-19,;24.89,-17.96,;26.4,-18.52,;27.62,-17.48,;27.34,-15.9,;28.52,-14.91,;29.97,-15.43,;30.23,-16.94,;31.68,-17.47,;32.86,-16.47,;32.58,-14.95,;31.13,-14.43,;25.82,-15.35,;24.6,-16.39,;20.93,-19.48,;21.3,-21.02,;20.26,-20.26,;18.82,-20.34,;18.74,-18.56,;19.39,-17.36,;19.46,-18.84,;18.11,-19.57,;17.79,-21.07,)|

BDBM50296715

O=C(Oc1cccc(c1)-c1ccccc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(6.24,-14.72,;6.52,-16.3,;8.03,-16.84,;9.26,-15.81,;8.97,-14.24,;10.19,-13.2,;11.71,-13.75,;11.99,-15.33,;10.76,-16.36,;13.43,-15.85,;13.7,-17.36,;15.14,-17.89,;16.32,-16.9,;16.05,-15.38,;14.6,-14.86,;5.3,-17.33,;5.68,-18.86,;4.64,-18.11,;3.2,-18.18,;3.12,-16.41,;3.76,-15.21,;3.84,-16.69,;2.48,-17.42,;2.17,-18.92,)|

BDBM50296716

O=C(Oc1ccc(cc1)-c1ccccc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(-4.95,-14.53,;-4.67,-16.11,;-3.16,-16.65,;-1.94,-15.62,;-.43,-16.17,;.79,-15.14,;.51,-13.56,;-1,-13.01,;-2.22,-14.05,;1.68,-12.57,;3.13,-13.1,;4.3,-12.11,;4.03,-10.59,;2.58,-10.07,;1.41,-11.06,;-5.9,-17.14,;-5.52,-18.67,;-6.56,-17.92,;-8,-17.99,;-8.08,-16.22,;-7.43,-15.02,;-7.36,-16.5,;-8.71,-17.23,;-9.03,-18.73,)|

BDBM50296717

O=C(Oc1cccc(c1)C(=O)c1ccccc1)N1CCN2CCC1CC2 |TLB:1:17:22.21:24.25,(27.34,-3.85,;27.34,-5.38,;28.68,-6.15,;30.01,-5.38,;30,-3.85,;31.33,-3.07,;32.68,-3.84,;32.68,-5.38,;31.34,-6.15,;34.01,-6.15,;35.34,-5.38,;34.01,-7.69,;32.67,-8.46,;32.67,-10,;34.01,-10.77,;35.34,-10,;35.34,-8.46,;26.01,-6.15,;26.12,-7.67,;25.25,-6.78,;23.88,-6.61,;24.1,-4.92,;24.91,-3.89,;24.73,-5.3,;23.33,-5.76,;22.79,-7.14,)|

BDBM50296718

O=C(Oc1ccc(cc1)C(=O)c1ccccc1)N1CCN2CCC1CC2 |TLB:1:17:22.21:24.25,(9.05,-5.68,;9.33,-7.19,;10.77,-7.72,;11.96,-6.73,;13.4,-7.26,;14.58,-6.26,;14.31,-4.75,;12.85,-4.22,;11.67,-5.22,;15.49,-3.75,;15.21,-2.23,;16.94,-4.27,;17.21,-5.79,;18.66,-6.32,;19.84,-5.32,;19.56,-3.8,;18.11,-3.27,;8.14,-8.19,;8.51,-9.66,;7.51,-8.94,;6.13,-9.01,;6.04,-7.3,;6.67,-6.15,;6.74,-7.56,;5.44,-8.27,;5.13,-9.72,)|

BDBM50296719

COc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:8:10:15.14:17.18,(1.83,-7.16,;1.55,-5.64,;.11,-5.11,;-.17,-3.58,;-1.63,-3.06,;-2.81,-4.06,;-2.53,-5.57,;-3.7,-6.56,;-5.16,-6.04,;-5.43,-4.52,;-6.34,-7.03,;-5.98,-8.51,;-6.98,-7.79,;-8.36,-7.85,;-8.44,-6.14,;-7.82,-5,;-7.75,-6.41,;-9.05,-7.12,;-9.36,-8.56,;-1.08,-6.1,)|

BDBM50296720

COc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:7:9:14.13:16.17,(36.81,4.41,;35.35,4.94,;34.17,3.94,;34.44,2.42,;33.26,1.42,;31.82,1.96,;30.63,.96,;29.18,1.48,;28.91,3.01,;28,.49,;28.37,-.98,;27.36,-.26,;25.97,-.33,;25.89,1.38,;26.52,2.53,;26.58,1.12,;25.28,.41,;24.98,-1.04,;31.54,3.47,;32.71,4.46,)|

BDBM50296721

Cc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(23.73,2.25,;22.27,2.79,;22,4.31,;20.54,4.83,;19.36,3.84,;19.64,2.32,;18.46,1.33,;17.01,1.85,;16.73,3.37,;15.83,.86,;16.19,-.62,;15.18,.1,;13.8,.03,;13.72,1.74,;14.35,2.9,;14.41,1.47,;13.11,.77,;12.81,-.67,;21.08,1.79,)|

BDBM50296723

Brc1ccccc1OC(=O)N1CCN2CCC1CC2 |TLB:8:10:15.14:17.18,(-1.38,.74,;-1.65,2.25,;-.47,3.25,;-.74,4.77,;-2.2,5.3,;-3.38,4.3,;-3.11,2.79,;-4.29,1.79,;-5.74,2.32,;-6.01,3.84,;-6.92,1.32,;-6.56,-.15,;-7.56,.57,;-8.94,.5,;-9.02,2.21,;-8.4,3.37,;-8.33,1.94,;-9.63,1.24,;-9.94,-.21,)|

BDBM50296724

Brc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(35.7,-48.55,;34.25,-48.03,;33.98,-46.5,;32.51,-45.98,;31.34,-46.98,;31.62,-48.49,;30.44,-49.49,;28.98,-48.96,;28.71,-47.44,;27.8,-49.95,;28.17,-51.43,;27.16,-50.71,;25.78,-50.77,;25.7,-49.07,;26.32,-47.91,;26.39,-49.33,;25.09,-50.04,;24.79,-51.48,;33.07,-49.02,)|

BDBM50296725

Clc1ccccc1OC(=O)N1CCN2CCC1CC2 |TLB:8:10:15.14:17.18,(12.15,-50.36,;11.88,-48.85,;13.06,-47.85,;12.79,-46.33,;11.33,-45.8,;10.15,-46.8,;10.43,-48.32,;9.25,-49.31,;7.8,-48.78,;7.53,-47.26,;6.62,-49.78,;6.98,-51.26,;5.98,-50.53,;4.59,-50.6,;4.52,-48.89,;5.13,-47.74,;5.2,-49.16,;3.9,-49.86,;3.6,-51.31,)|

BDBM50296726

Clc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(2.4,-48.55,;.95,-48.03,;.68,-46.5,;-.79,-45.98,;-1.96,-46.98,;-1.68,-48.49,;-2.86,-49.49,;-4.32,-48.96,;-4.59,-47.44,;-5.5,-49.95,;-5.13,-51.43,;-6.14,-50.71,;-7.52,-50.77,;-7.6,-49.07,;-6.98,-47.91,;-6.91,-49.33,;-8.21,-50.04,;-8.51,-51.48,;-.24,-49.02,)|

BDBM50296727

Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(35.17,-37.92,;33.99,-38.92,;34.26,-40.44,;33.08,-41.43,;31.63,-40.9,;30.45,-41.9,;29,-41.37,;28.73,-39.85,;27.82,-42.37,;28.18,-43.84,;27.18,-43.12,;25.79,-43.19,;25.72,-41.48,;26.33,-40.32,;26.4,-41.74,;25.1,-42.45,;24.8,-43.89,;31.35,-39.39,;32.53,-38.39,)|

BDBM50296728

Fc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(22.94,-41.26,;21.49,-40.73,;21.22,-39.21,;19.75,-38.69,;18.58,-39.68,;18.86,-41.2,;17.68,-42.19,;16.22,-41.67,;15.95,-40.15,;15.04,-42.66,;15.41,-44.14,;14.4,-43.41,;13.02,-43.48,;12.94,-41.77,;13.56,-40.62,;13.63,-42.04,;12.33,-42.74,;12.03,-44.19,;20.3,-41.73,)|

BDBM50296729

Fc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(12,-37.68,;10.82,-38.68,;11.09,-40.2,;9.91,-41.19,;8.46,-40.66,;7.28,-41.66,;5.83,-41.13,;5.56,-39.61,;4.65,-42.13,;5.01,-43.6,;4.01,-42.88,;2.62,-42.95,;2.55,-41.24,;3.17,-40.08,;3.23,-41.5,;1.93,-42.21,;1.63,-43.65,;8.19,-39.15,;9.36,-38.15,)|

BDBM50296731

Brc1ccc(cc1)S(=O)(=O)N1CCN2CCC1CC2 |TLB:7:10:15.14:17.18,(15.02,-35.01,;13.57,-34.49,;12.39,-35.48,;10.94,-34.96,;10.67,-33.44,;11.84,-32.44,;13.29,-32.96,;9.22,-32.91,;8.12,-31.81,;10.31,-31.8,;8.04,-33.91,;8.4,-35.38,;7.4,-34.66,;6.01,-34.73,;5.94,-33.02,;6.56,-31.87,;6.62,-33.29,;5.32,-33.99,;5.02,-35.44,)|

BDBM50296732

O=C(OCc1ccccc1)N1CCN2CCC1CC2 |TLB:1:10:15.14:17.18,(-5.26,-30.83,;-4.99,-32.35,;-3.54,-32.88,;-2.36,-31.88,;-.91,-32.41,;-.64,-33.93,;.81,-34.45,;1.99,-33.46,;1.71,-31.93,;.26,-31.41,;-6.18,-33.35,;-5.81,-34.82,;-6.82,-34.1,;-8.2,-34.17,;-8.28,-32.46,;-7.66,-31.31,;-7.59,-32.72,;-8.89,-33.43,;-9.19,-34.88,)|

BDBM50296733

S=C(Oc1ccccc1)N1CCN2CCC1CC2 |TLB:1:9:14.13:16.17,(30.03,-23.84,;30.3,-25.36,;31.76,-25.89,;32.94,-24.89,;34.38,-25.42,;35.57,-24.43,;35.3,-22.91,;33.83,-22.38,;32.66,-23.38,;29.12,-26.36,;29.49,-27.84,;28.48,-27.11,;27.1,-27.18,;27.02,-25.47,;27.64,-24.32,;27.71,-25.73,;26.4,-26.44,;26.11,-27.89,)|

BDBM50296734

Brc1ccc(CC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(12.94,-20.71,;11.76,-21.71,;12.03,-23.23,;10.85,-24.22,;9.4,-23.69,;8.22,-24.69,;6.77,-24.16,;6.5,-22.64,;5.59,-25.15,;5.95,-26.63,;4.95,-25.91,;3.56,-25.97,;3.49,-24.27,;4.11,-23.11,;4.17,-24.53,;2.87,-25.24,;2.57,-26.68,;9.12,-22.18,;10.3,-21.18,)|

BDBM50296735

Brc1ccc(NC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(1.37,-20.41,;.19,-21.41,;.46,-22.93,;-.72,-23.92,;-2.17,-23.39,;-3.35,-24.39,;-4.8,-23.86,;-5.07,-22.34,;-5.98,-24.85,;-5.62,-26.33,;-6.63,-25.61,;-8.01,-25.67,;-8.09,-23.97,;-7.47,-22.81,;-7.4,-24.23,;-8.7,-24.94,;-9,-26.38,;-2.45,-21.88,;-1.27,-20.88,)|

BDBM50296736

C[C@@H]1CN([C@@H](C)CN1)C(=O)Oc1ccc(Br)cc1 |r|

BDBM50296737

C[C@H]1CN(C[C@@H](C)N1)C(=O)Oc1ccc(Br)cc1 |r|

BDBM50296738

C[C@@H]1CN(CCN1)C(=O)Oc1ccc(Br)cc1 |r|

BDBM50296739

CN1CCCN(CC1)C(=O)Oc1ccc(Br)cc1

BDBM50296740

Brc1ccc(OC(=O)N2CCN3CCC(CC3)C2)cc1 |TLB:6:8:13.12:15.16,(27.55,4.64,;26.37,3.64,;26.64,2.12,;25.46,1.13,;24.01,1.66,;22.83,.66,;21.38,1.19,;21.11,2.71,;19.94,.42,;18.89,-.37,;18.53,1,;17.15,.93,;17.07,2.64,;17.69,3.79,;17.76,2.37,;16.46,1.67,;16.16,.22,;19.17,1.75,;23.73,3.17,;24.91,4.17,)|

BDBM50296741

Brc1ccc(OC(=O)N2CCCN3CCC2CC3)cc1 |TLB:6:8:14.13:16.17,(13.79,5.49,;12.61,4.49,;12.88,2.97,;11.7,1.97,;10.25,2.5,;9.07,1.51,;7.62,2.04,;7.35,3.56,;6.43,1.04,;7.2,-.29,;6.15,-1.08,;5.79,.29,;4.41,.22,;4.33,1.93,;4.95,3.08,;5.02,1.66,;3.72,.96,;3.42,-.49,;9.97,4.02,;11.15,5.02,)|

BDBM50296749

Brc1ccc(NC(=O)OC2CN3CCC2C3)cc1 |THB:8:9:12.13:15|

BDBM50296753

O=C(Oc1ccc(cc1)-c1ccccn1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(13.56,-25.18,;13.56,-26.75,;14.91,-27.54,;16.27,-26.75,;17.64,-27.55,;19.03,-26.76,;19.03,-25.16,;17.63,-24.36,;16.26,-25.16,;20.38,-24.37,;20.38,-22.83,;21.71,-22.07,;23.03,-22.83,;23.03,-24.36,;21.7,-25.14,;12.2,-27.54,;12.3,-29.09,;11.42,-28.18,;10,-28,;10.23,-26.25,;11.07,-25.19,;10.88,-26.64,;9.43,-27.13,;8.87,-28.55,)|

BDBM50296748

O=C(Oc1ccc2ccccc2c1)N1CCN2CCC1CC2 |TLB:1:13:18.17:20.21,(26.32,-21.11,;26.59,-22.64,;28.05,-23.16,;29.23,-22.17,;28.95,-20.65,;30.13,-19.66,;31.59,-20.18,;32.76,-19.19,;34.21,-19.71,;34.49,-21.24,;33.3,-22.23,;31.85,-21.7,;30.68,-22.7,;25.41,-23.63,;25.78,-25.11,;24.78,-24.38,;23.39,-24.45,;23.31,-22.75,;23.93,-21.59,;24,-23.01,;22.7,-23.71,;22.4,-25.16,)|

BDBM50296747

Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1C(=O)c1ccccc1 |TLB:6:8:13.12:15.16,(17.84,-19.26,;16.66,-20.26,;15.15,-19.71,;13.93,-20.75,;14.21,-22.32,;12.98,-23.35,;11.48,-22.81,;11.19,-21.22,;10.25,-23.84,;10.63,-25.37,;9.59,-24.62,;8.15,-24.69,;8.06,-22.92,;8.71,-21.72,;8.78,-23.2,;7.43,-23.93,;7.12,-25.43,;15.72,-22.87,;16.95,-21.84,;18.39,-22.36,;18.66,-23.88,;19.57,-21.37,;21.02,-21.91,;22.19,-20.92,;21.93,-19.4,;20.47,-18.88,;19.3,-19.87,)|

BDBM50296746

Fc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Cl |TLB:5:7:12.11:14.15,(25.98,-13.32,;24.59,-12.82,;23.41,-13.81,;21.96,-13.28,;20.77,-14.27,;19.32,-13.75,;19.05,-12.22,;18.14,-14.74,;18.5,-16.22,;17.5,-15.49,;16.12,-15.57,;16.04,-13.86,;16.66,-12.7,;16.73,-14.12,;15.43,-14.83,;15.12,-16.27,;21.68,-11.76,;22.86,-10.77,;24.32,-11.29,;25.45,-10.34,)|

BDBM50296745

Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1Cl |TLB:6:8:13.12:15.16,(13.61,-10.33,;12.48,-11.28,;11.02,-10.76,;9.84,-11.76,;10.12,-13.27,;8.94,-14.27,;7.48,-13.74,;7.21,-12.22,;6.3,-14.73,;6.67,-16.21,;5.67,-15.49,;4.28,-15.56,;4.2,-13.85,;4.82,-12.69,;4.89,-14.11,;3.59,-14.82,;3.29,-16.26,;11.57,-13.8,;12.75,-12.81,;14.14,-13.31,)|

BDBM50296744

Cc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(25.56,-5.32,;24.16,-4.82,;22.98,-5.81,;21.53,-5.28,;20.35,-6.28,;18.89,-5.75,;18.62,-4.22,;17.71,-6.74,;18.08,-8.22,;17.08,-7.5,;15.69,-7.57,;15.61,-5.86,;16.23,-4.7,;16.3,-6.12,;15,-6.83,;14.7,-8.27,;21.26,-3.76,;22.43,-2.77,;23.89,-3.29,;25.02,-2.34,)|

BDBM50296743

Clc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(1.98,-4.06,;.58,-3.56,;-.6,-4.55,;-2.05,-4.02,;-3.23,-5.01,;-4.68,-4.49,;-4.96,-2.96,;-5.86,-5.48,;-5.5,-6.96,;-6.5,-6.23,;-7.89,-6.31,;-7.97,-4.6,;-7.35,-3.44,;-7.28,-4.86,;-8.58,-5.57,;-8.88,-7.01,;-2.32,-2.5,;-1.15,-1.51,;.31,-2.03,;1.45,-1.08,)|

BDBM50296751

O=C(Oc1ccc(cc1)-c1ccncc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(-3.61,-32.7,;-3.61,-34.24,;-2.27,-35,;-.94,-34.24,;.42,-35.05,;1.8,-34.24,;1.8,-32.65,;.41,-31.87,;-.96,-32.66,;3.13,-31.88,;4.47,-32.65,;5.81,-31.88,;5.8,-30.35,;4.47,-29.57,;3.13,-30.35,;-4.94,-35,;-4.85,-36.56,;-5.73,-35.64,;-7.13,-35.47,;-6.92,-33.72,;-6.08,-32.68,;-6.26,-34.11,;-7.71,-34.6,;-8.27,-36.01,)|

BDBM50296752

O=C(Oc1ccc(cc1)-c1cccnc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(28.87,-23.44,;28.87,-24.98,;30.21,-25.74,;31.54,-24.97,;32.9,-25.77,;34.28,-24.97,;34.28,-23.38,;32.9,-22.6,;31.53,-23.39,;35.61,-22.61,;35.6,-21.07,;36.92,-20.29,;38.26,-21.06,;38.27,-22.6,;36.95,-23.36,;27.54,-25.74,;27.64,-27.3,;26.76,-26.39,;25.35,-26.22,;25.57,-24.47,;26.4,-23.42,;26.22,-24.86,;24.78,-25.34,;24.22,-26.75,)|

BDBM50305362

C(N1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1)c1cccnc1 |r|

BDBM50305366

Clc1ccc(CN2C[C@H]3CN(C[C@H]3C2)c2ccc(nn2)-c2ccccc2)cn1 |r|

BDBM50305368

CN1C[C@@H]2CN(C[C@@H]2[C@@H]1COc1cccnc1)c1ccc(nn1)-c1ccccc1 |r|

BDBM50305369

CN1C[C@@H]2CN(C[C@@H]2[C@H]1COc1cccnc1)c1ccc(nn1)-c1ccccc1 |r|

BDBM50305355

CN(C)C1CCN(C1)c1ccc(nn1)-c1ccccc1

BDBM50305357

CCN(C)C1CCN(C1)c1ccc(nn1)-c1ccccc1

BDBM50305358

C(N1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1)c1ccccc1 |r|

BDBM50305359

CN(Cc1ccccc1)C1CCN(C1)c1ccc(nn1)-c1ccccc1

BDBM50305360

C(N1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1)c1ccccn1 |r|

BDBM50305361

CN(Cc1ccccn1)C1CCN(C1)c1ccc(nn1)-c1ccccc1

BDBM50305363

CN(Cc1cccnc1)C1CCN(C1)c1ccc(nn1)-c1ccccc1

BDBM50305364

C(N1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1)c1ccncc1 |r|

BDBM50305365

CN(Cc1ccncc1)C1CCN(C1)c1ccc(nn1)-c1ccccc1

BDBM50305367

CN(Cc1ccc(Cl)nc1)C1CCN(C1)c1ccc(nn1)-c1ccccc1

BDBM50305372

CNC1CCN(C1)c1ccc(nn1)-c1ccccc1

BDBM50321013

BrC1=NOC2CC3CNCC(C3)C12 |t:1,THB:1:12:7.8.9:11|

BDBM50378786

[H]C12CNCC([H])(C1)C1C(C2)ON=C1OC |c:14,THB:13:8:2.3.4:7|

BDBM50321015

CN1OC2C(CC3CNCC2C3)C1=O |THB:2:3:7.8.9:11|

BDBM50321016

CN1OC2CC3CNCC(C3)C2C1=O |THB:12:11:6.7.8:10|

BDBM50321017

BrC1=NOC2CC3CCC(N3)C12 |t:1,THB:3:4:8.7:10,1:11:8.7:10|

BDBM50321018

BrC1=NOC2C3CCC(CC12)N3 |t:1,THB:1:10:6.7:11,3:4:6.7:11|

BDBM50321019

COC1=NOC2CC3CCC(N3)C12 |t:2,THB:4:5:9.8:11,2:12:9.8:11|

BDBM50321020

COC1=NOC2C3CCC(CC12)N3 |t:2,THB:2:11:7.8:12,4:5:7.8:12|

BDBM50321021

CN1OC2CC3CCC(N3)C2C1=O |THB:2:3:7.6:9,11:10:7.6:9|

BDBM50321022

CN1OC2C3CCC(CC2C1=O)N3 |THB:10:9:5.6:12,2:3:5.6:12|

BDBM50321023

CC(=O)C1=CC[C@H]2CC[C@@H]1N2 |r,t:3,THB:1:3:8.7:10|

BDBM50323669

C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2 |r|

BDBM50323671

Oc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|

BDBM50323672

Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|

BDBM50323673

Oc1cncc(c1)-c1ccccc1O[C@@H]1C[C@@H]2C[C@H]1CNC2 |r|

BDBM50323675

Fc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|

BDBM50323677

Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|

BDBM50323678

CS(=O)(=O)Nc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|

BDBM50323679

CS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|

BDBM50323680

CS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@@H]1C[C@@H]2C[C@H]1CNC2 |r|

BDBM50323681

CCS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|

BDBM50323682

CC(C)S(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|

BDBM50323683

CC(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|

BDBM50323684

NC(=O)c1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|

BDBM50380097

O=C(CN1CCOCC1)Nc1ccc(cc1)-c1cccnc1

BDBM50380098

O=C(CCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1

BDBM50380099

O=C(CCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1

BDBM50380100

O=C(CCCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1

BDBM50381965

CCN(CC)CCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1

BDBM50420006

CN(C)CCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1

BDBM50420007

CC(C)NCCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1

BDBM50381966

Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCC2)o1

BDBM50381967

Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1

BDBM50381968

Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCCC2)o1

BDBM50381969

Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCOCC2)o1

BDBM50381986

O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)c1ccccc1

BDBM50381970

Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1

BDBM50381971

Cc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1

BDBM50381972

Fc1cccc(c1)C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1

BDBM50381973

Fc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1

BDBM50381985

Fc1cccc(F)c1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1

BDBM50381987

O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)C1CCCC1

BDBM50381974

O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)C1CCCCC1

BDBM50381975

O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)C1CCCCCC1

BDBM50381976

Fc1cc(ccc1NC(=O)c1ccccc1F)-c1nnc(NCCCN2CCCCC2)o1

BDBM50381977

CCc1cc(ccc1NC(=O)c1ccccc1F)-c1nnc(NCCCN2CCCCC2)o1

BDBM50381988

Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(Cl)c1

BDBM50381979

Cc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1

BDBM50381980

COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1

BDBM50381981

COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCOCC2)o1

BDBM50381982

CCOc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1

BDBM50381989

Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(F)c1

BDBM50381983

Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(c1)C(F)(F)F

BDBM50381984

CCc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1

BDBM50381978

Cc1cc(ccc1NC(=O)c1ccccc1F)-c1nnc(NCCCN2CCCCC2)o1

BDBM50382047

COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCOCC2)o1

BDBM50382035

Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCOCC2)o1

BDBM50382051

C[C@@H]1CC[C@@H](C)N1CCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1 |r|

BDBM50382036

CN1CCN(CCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1

BDBM50382037

Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCC(F)(F)CC2)o1

BDBM50382038

FC1CCN(CCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1

BDBM50382039

Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2C[C@@H]3CC[C@H]2C3)o1 |r|

BDBM50382040

Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCN3CCC2CC3)o1 |(-15.54,4.95,;-16.86,4.18,;-18.21,4.95,;-19.53,4.18,;-19.54,2.64,;-18.19,1.87,;-16.87,2.64,;-15.55,1.87,;-15.55,.33,;-14.2,2.64,;-12.88,1.87,;-12.88,.33,;-11.55,-.44,;-10.2,.33,;-10.2,1.88,;-11.55,2.65,;-8.87,-.43,;-8.85,-1.97,;-7.37,-2.43,;-6.49,-1.17,;-4.95,-1.14,;-4.2,.21,;-2.66,.23,;-1.91,1.58,;-.37,1.6,;.26,2.99,;1.7,3.41,;2.99,2.48,;3.04,.93,;1.85,-.05,;.28,.29,;.68,1.78,;1.98,1.28,;-7.41,.07,)|

BDBM50382050

Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCOCC2)o1

BDBM50382041

Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCOCC2)o1

BDBM50382052

Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCC2)o1

BDBM50382042

CCN(CC)CCCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1

BDBM50382043

Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1

BDBM50382044

O=C(Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1)c1ccccc1

BDBM50382053

O=C(Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1)C1CCCCC1

BDBM50382045

COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCCCC2)o1

BDBM50382046

Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCCCC3)o2)c(Cl)c1

BDBM50382048

Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1

BDBM50382054

Fc1cc(NC(=O)c2ccccc2)ccc1-c1nnc(NCCCCN2CCOCC2)o1

BDBM50382049

FC1CCN(CCCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1

BDBM50385392

CN1C[C@H]2CN(C[C@@H]12)c1ccc(nc1)-c1ccc2[nH]ccc2c1 |r|

BDBM50385393

CN1C[C@@H]2CN(C[C@H]12)c1ccc(nc1)-c1ccc2[nH]ccc2c1 |r|

BDBM50257941

C1CNC2(C1)CCN(C2)c1cccnc1

BDBM50387567

C1CN2CC1CC21CCN(C1)c1cccnc1 |TLB:10:6:1.0:3,THB:7:6:1.0:3|

BDBM50387568

C1CC2(CN1c1cccnc1)CC1CCN2CC1

BDBM50387569

C1CN2CCC1C21CCN(C1)c1cccnc1 |TLB:10:6:0.1:3.4,THB:7:6:0.1:3.4|

BDBM50389163

CC(C)N1CCCCN(CC1)C(=O)c1ccc2OCCOc2c1

BDBM50389164

Brc1ccc(OC(=O)N[C@@H]2CCCC[C@H]2N2CCCCC2)cc1 |r|

BDBM50389165

CCC#CCN1CCC[C@@H]1CNC(=O)c1ccc2ncsc2c1 |r|

BDBM50389166

CCC#CCN1CCC[C@H]1CNC(=O)c1ccc2ncsc2c1 |r|

BDBM50389167

CC1CCCC1N1CC[C@@H](C1)NC(=O)c1ccc2ncsc2c1 |r|

BDBM50393241

CN1CC2CN(CC2C1)c1ccc(nc1)-c1ccccc1

BDBM50393242

C1NCC2CN(CC12)c1ccc(nc1)-c1ccccc1

BDBM50393244

C1c2cc(cnc2O[C@]11CN2CCC1CC2)-c1ccoc1 |r,wU:8.8,(21.23,-.78,;22.37,.25,;23.89,.09,;24.79,1.32,;24.17,2.73,;22.65,2.89,;21.75,1.65,;20.22,1.49,;19.9,-.01,;19.9,-1.55,;18.56,-2.31,;17.23,-1.55,;17.23,-.01,;18.56,.77,;19.32,-.56,;17.82,-.96,;26.33,1.34,;27.22,2.6,;28.69,2.15,;28.72,.6,;27.26,.11,)|

BDBM50190795

O=C(N[C@H]1CN2CCC1CC2)c1ccc2cc[nH]c2c1 |wU:3.2,(11.41,4.23,;11.42,2.69,;12.75,1.92,;14.08,2.7,;14.07,4.23,;15.41,5.01,;16.75,4.24,;16.75,2.7,;15.42,1.93,;14.54,3.07,;15.36,3.87,;10.09,1.91,;10.09,.36,;8.75,-.42,;7.42,.35,;5.95,-.12,;5.05,1.13,;5.96,2.37,;7.42,1.89,;8.74,2.67,)|

BDBM50393245

O=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2ccccc12 |r,wD:3.2,(-1.66,-41.21,;-1.66,-39.67,;-2.99,-38.9,;-4.32,-39.66,;-4.33,-41.2,;-5.66,-41.96,;-6.98,-41.2,;-6.98,-39.66,;-5.66,-38.88,;-4.9,-40.21,;-6.39,-40.61,;-.32,-38.91,;1.09,-39.54,;2.12,-38.4,;1.36,-37.06,;1.84,-35.61,;.82,-34.46,;-.69,-34.78,;-1.17,-36.24,;-.15,-37.37,)|

BDBM50393247

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(5.71,-17.16,;5.73,-15.62,;4.4,-14.83,;3.06,-15.59,;1.59,-14.95,;.24,-15.55,;-.04,-16.95,;1.33,-16.32,;1.07,-14.41,;1.52,-13.3,;2.87,-16.97,;3.63,-18.31,;2.84,-19.64,;1.3,-19.62,;.52,-20.94,;1.28,-22.29,;2.83,-22.3,;3.61,-20.97,;7.07,-14.87,;7.24,-13.35,;8.76,-13.04,;9.54,-11.72,;11.07,-11.74,;11.83,-13.08,;11.04,-14.41,;9.51,-14.39,;8.47,-15.52,)|

BDBM50393248

Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,TLB:18:17:13.12:15.16,THB:9:10:13.12:15.16,(-.69,-12.68,;-2.04,-13.43,;-2.06,-14.97,;-3.4,-15.72,;-4.72,-14.94,;-4.71,-13.4,;-3.37,-12.64,;-6.06,-15.69,;-6.08,-17.23,;-7.38,-14.9,;-8.73,-15.65,;-10.2,-15.01,;-11.56,-15.62,;-11.84,-17.01,;-10.46,-16.38,;-10.71,-14.48,;-10.27,-13.37,;-8.92,-17.03,;-8.16,-18.37,;-8.94,-19.7,;-10.48,-19.68,;-11.28,-21.01,;-10.51,-22.35,;-8.96,-22.36,;-8.18,-21.03,)|

BDBM50393249

Cc1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(5.74,.65,;4.2,.81,;3.44,2.15,;1.93,1.84,;1.77,.31,;3.17,-.33,;.43,-.46,;.43,-2,;-.9,.32,;-2.23,-.45,;-3.56,.33,;-4.89,-.44,;-4.89,-1.98,;-3.56,-2.75,;-4.3,-1.39,;-2.81,-1,;-2.23,-1.98,;-.9,-2.76,;-.9,-4.3,;-2.24,-5.06,;-2.24,-6.6,;-.91,-7.37,;.43,-6.6,;.43,-5.06,)|

BDBM50393250

C1CN2CCC1CCC2c1cccnc1 |(-.29,3.18,;.12,1.99,;-1.2,1.27,;-1.76,2.72,;-.87,3.99,;.66,3.93,;1.76,2.87,;1.54,1.35,;.2,.63,;.23,-.91,;1.59,-1.65,;1.63,-3.19,;.31,-3.99,;-1.04,-3.25,;-1.08,-1.71,)|

BDBM50060417

Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1

BDBM50393253

CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|

BDBM50393254

CC[C@@H]1CC[C@@H](CC=C)N2CCCC[C@@H]12 |r|

BDBM50393256

O=C1O[C@@]2(CN1c1ccc3sccc3c1)CN1CCC2CC1 |wD:3.2,TLB:4:3:18.17:20.21,THB:2:3:18.17:20.21,(3.94,-45.51,;2.1,-45.02,;1.41,-43.23,;-.5,-43.33,;-.99,-45.17,;.61,-46.21,;.7,-48.13,;-.38,-49.21,;0,-50.69,;1.48,-51.1,;2.16,-52.47,;3.68,-52.25,;3.93,-50.73,;2.57,-50.02,;2.19,-48.54,;-.83,-41.59,;-2.52,-40.84,;-4.34,-41.64,;-4.09,-43.36,;-2.18,-42.54,;-1.87,-40.18,;-2.43,-38.81,)|

BDBM50393251

CN1CC2CN(CC2C1)c1ccc(nn1)-c1ccc2[nH]ccc2c1

BDBM50394679

Cc1cc(OC[C@@H]2CCN2)on1 |r|

BDBM50151495

[O-][N+](=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:11:16:22:20.19|

BDBM50397906

COc1ccc(cc1)C(=O)N1CC2CNCC(C2)C1

BDBM50397907

O=C(N1CC2CNCC(C2)C1)c1ccccc1

BDBM50397908

O=C(N1CC2CNCC2C1)c1ccc(Oc2ccccc2)cc1

BDBM50397909

COc1ccc(cc1)C(=O)N1CC2CNCC2C1

BDBM50397910

O=C(N1CC2CNCC2C1)c1ccccc1

BDBM50397911

O=C(N1CC2CNCC2C1)c1ccccn1

BDBM50397912

O=C(N1CC2CNCC2C1)c1cccnc1

BDBM50397914

O=C(N1CC2CNCC2C1)c1cnco1

BDBM50397915

O=C(N1CC2CNCC2C1)c1ccno1

BDBM50397916

O=C(N1CC2CNCC2C1)c1ncco1

BDBM50397918

Brc1ccc(o1)C(=O)N1C[C@@H]2CN[C@H](C2)C1 |r|

BDBM50397919

Fc1ccc(o1)C(=O)N1C[C@@H]2CN[C@H](C2)C1 |r|

BDBM50397920

Brc1ccc(o1)C(=O)N1C[C@H]2CN[C@@H](C2)C1 |r|

BDBM50397921

Clc1ccc(o1)C(=O)N1C[C@H]2CN[C@@H](C2)C1 |r|

BDBM50397922

Fc1ccc(o1)C(=O)N1C[C@H]2CN[C@@H](C2)C1 |r|

BDBM50397923

Cc1ccoc1C(=O)N1CC2CNCC(C2)C1

BDBM50397924

Cc1ccc(o1)C(=O)N1CC2CNCC(C2)C1

BDBM50397925

O=C(N1CC2CNCC(C2)C1)c1occc1C#N

BDBM50397926

O=C(N1CC2CNCC(C2)C1)c1cc(co1)C#N

BDBM50397927

O=C(N1CC2CNCC(C2)C1)c1ccc(o1)C#N

BDBM50397928

Brc1ccoc1C(=O)N1CC2CNCC(C2)C1

BDBM50397929

Brc1coc(c1)C(=O)N1CC2CNCC(C2)C1

BDBM50397930

Brc1ccc(o1)C(=O)N1CC2CNCC(C2)C1

BDBM50397931

Clc1ccoc1C(=O)N1CC2CNCC(C2)C1

BDBM50397932

Clc1coc(c1)C(=O)N1CC2CNCC(C2)C1

BDBM50397934

Fc1ccoc1C(=O)N1CC2CNCC(C2)C1

BDBM50397935

Fc1coc(c1)C(=O)N1CC2CNCC(C2)C1

BDBM50397936

Fc1ccc(o1)C(=O)N1CC2CNCC(C2)C1

BDBM50397939

O=C(N1CC2CNCC2C1)c1occc1C#N

BDBM50397940

O=C(N1CC2CNCC2C1)c1cc(co1)C#N

BDBM50397941

O=C(N1CC2CNCC2C1)c1ccc(o1)C#N

BDBM50397886

Brc1coc(c1)C(=O)N1CC2CNCC2C1

BDBM50397888

Clc1ccoc1C(=O)N1CC2CNCC2C1

BDBM50397889

Clc1coc(c1)C(=O)N1CC2CNCC2C1

BDBM50397891

Fc1ccoc1C(=O)N1CC2CNCC2C1

BDBM50397892

Fc1coc(c1)C(=O)N1CC2CNCC2C1

BDBM50397893

Fc1ccc(o1)C(=O)N1CC2CNCC2C1

BDBM50397894

O=C(N1CC2CNC(C2)C1)c1ccncc1

BDBM50397896

O=C(N1CC2CNCC2C1)c1ccncc1

BDBM50397897

O=C(N1C[C@@H]2CN[C@H](C2)C1)c1ccco1 |r|

BDBM50397898

O=C(N1C[C@H]2CN[C@@H](C2)C1)c1ccco1 |r|

BDBM50397901

O=C(C1CC1)N1C[C@@H]2CN[C@H](C2)C1 |r|

BDBM50397902

O=C(C1CC1)N1C[C@H]2CN[C@@H](C2)C1 |r|

BDBM50397903

O=C(C1CC1)N1CC2CNCC(C2)C1

BDBM50397904

O=C(C1CC1)N1CC2CNCC2C1

BDBM50397905

CCOc1cncc(\C=C\CCNC)c1

BDBM50398815

CC(C)Oc1cncc(c1)C1=CC2CNCC(C2)C1 |t:11,TLB:8:10:15.14.13:17|

BDBM50398816

COc1cncc(c1)C1=CC2CC(CN(C)C2)C1 |t:9,THB:6:8:13.14.16:11|

BDBM50398817

COc1cncc(c1)C1=CC2CNCC(C2)C1 |t:9,TLB:6:8:13.12.11:15|

BDBM50398818

CN1C[C@H]2C[C@@H](C1)C=C(C2)c1cccnc1 |r,c:8|

BDBM50398819

CN1C[C@@H]2C[C@H](C1)C=C(C2)c1cccnc1 |r,c:8|

BDBM50398820

C1NC[C@@H]2C[C@H]1CC(=C2)c1cccnc1 |r,c:8|

BDBM50398821

C1NC[C@H]2C[C@@H]1CC(=C2)c1cccnc1 |r,c:8|

BDBM50397944

C1NCC2CC1CN(C2)c1cccnc1

BDBM50398822

Fc1ccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)cc1 |t:13,TLB:10:12:17.16.15:19|

BDBM50398823

Clc1ccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)cc1 |t:13,TLB:10:12:17.16.15:19|

BDBM50398824

Clc1cccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)c1 |t:14,TLB:11:13:18.17.16:20|

BDBM50398825

Clc1ccccc1Oc1cncc(c1)C1=CC2CNCC(C2)C1 |t:16,TLB:12:14:19.18.17:21|

BDBM50398826

COc1ccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)cc1 |t:14,TLB:11:13:18.17.16:20|

BDBM50398827

COc1cccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)c1 |t:15,TLB:12:14:19.18.17:21|

BDBM50398828

COc1ccccc1Oc1cncc(c1)C1=CC2CNCC(C2)C1 |t:17,TLB:13:15:20.19.18:22|

BDBM50398829

C1NCC2CC1CC(=C2)c1ccc2nccnc2c1 |c:8,TLB:9:7:0.1.2:4|

BDBM50398830

Clc1ccc(nn1)C1=CC2CNCC(C2)C1 |t:8,TLB:4:7:12.11.10:14|

BDBM50398831

C1NCC2CC1CC(=C2)c1cnccn1 |c:8,TLB:9:7:0.1.2:4|

BDBM50398832

C1NCC2CC1CC(=C2)c1cncnc1 |c:8,TLB:9:7:0.1.2:4|

BDBM50398833

C1NCC2CC1CC(=C2)c1ccncc1 |c:8,TLB:9:7:0.1.2:4|

BDBM50398834

CN1CC2CC(C1)C=C(C2)c1cnccc1C#N |c:8,THB:10:8:2.1.6:4|

BDBM50398835

N#Cc1ccncc1C1=CC2CNCC(C2)C1 |t:9,TLB:7:8:13.12.11:15|

BDBM50398836

CN1CC2CC(C1)C=C(C2)c1cnccc1Cl |c:8,THB:10:8:2.1.6:4|

BDBM50398837

Clc1ccncc1C1=CC2CNCC(C2)C1 |t:8,TLB:6:7:12.11.10:14|

BDBM50398840

C1NCC2CC1CC(=C2)c1ccc(nc1)-c1ccccc1 |c:8,TLB:9:7:0.1.2:4|

BDBM50398841

Cc1ccc(cn1)C1=CC2CNCC(C2)C1 |t:8,TLB:4:7:12.11.10:14|

BDBM50398842

COc1ccc(cn1)C1=CC2CC(CN(C)C2)C1 |t:9,THB:5:8:13.14.16:11|

BDBM50398852

COc1ccc(cn1)C1=CC2CNCC(C2)C1 |t:9,TLB:5:8:13.12.11:15|

BDBM50398853

CN1CC2CC(C1)C=C(C2)c1ccc(Cl)nc1 |c:8,THB:10:8:2.1.6:4|

BDBM50398843

Clc1ccc(cn1)C1=CC2CNCC(C2)C1 |t:8,TLB:4:7:12.11.10:14|

BDBM50398844

CN1CC2CC(C1)C=C(C2)c1ccc(F)nc1 |c:8,THB:10:8:2.1.6:4|

BDBM50398845

Fc1ccc(cn1)C1=CC2CNCC(C2)C1 |t:8,TLB:4:7:12.11.10:14|

BDBM50398846

C1NCC2CC1CC(=C2)c1cncc(c1)-c1ccccc1 |c:8,TLB:9:7:0.1.2:4|

BDBM50398854

FC(F)(F)c1cncc(c1)C1=CC2CNCC(C2)C1 |t:11,TLB:8:10:15.14.13:17|

BDBM50398855

CN1CC2CC(C1)C=C(C2)c1cncc(c1)C#N |c:8,THB:10:8:2.1.6:4|

BDBM50398847

N#Cc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1 |r,t:9|

BDBM50398848

N#Cc1cncc(c1)C1=C[C@H]2CNC[C@H](C2)C1 |r,t:9|

BDBM50398856

CN1CC2CC(C1)C=C(C2)c1cncc(Cl)c1 |c:8,THB:10:8:2.1.6:4|

BDBM50398857

Clc1cncc(c1)C1=CC2CNCC(C2)C1 |t:8,TLB:5:7:12.11.10:14|

BDBM50398858

CN1CC2CC(C1)C=C(C2)c1cncc(F)c1 |c:8,THB:10:8:2.1.6:4|

BDBM50398849

Fc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1 |r,t:8|

BDBM50398850

Fc1cncc(c1)C1=C[C@H]2CNC[C@H](C2)C1 |r,t:8|

BDBM50398859

COc1cc(cnc1Cl)C1=CC2CC(CN(C)C2)C1 |t:10,THB:4:9:14.15.17:12|

BDBM50398860

COc1cc(cnc1Cl)C1=CC2CNCC(C2)C1 |t:10,TLB:4:9:14.13.12:16|

BDBM50398861

CN1CC2CC(C1)C=C(C2)c1cncc(OCc2ccccc2)c1 |c:8,THB:10:8:2.1.6:4|

BDBM50398862

C(Oc1cncc(c1)C1=CC2CNCC(C2)C1)c1ccccc1 |t:9,TLB:6:8:13.12.11:15|

BDBM50398851

CN1CC2CC(C1)C=C(C2)c1cncc(Oc2ccccc2)c1 |c:8,THB:10:8:2.1.6:4|

BDBM50398838

C1NCC2CC1CC(=C2)c1cncc(Oc2ccccc2)c1 |c:8,TLB:9:7:0.1.2:4|

BDBM50398839

CC(C)Oc1cncc(c1)C1=CC2CC(CN(C)C2)C1 |t:11,THB:8:10:15.16.18:13|

BDBM50399291

CC(C)(C)c1cc(NC(=O)CCCN2CCCCC2)n[nH]1

BDBM50399292

Fc1cncc(c1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1

BDBM50399293

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCN(CC2)C(C)=O)[nH]n1

BDBM50399289

COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1

BDBM50399294

COc1cccc(c1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1

BDBM50399295

Fc1cccc(c1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1

BDBM50399290

COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCCC2)[nH]n1

BDBM50399296

COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCN(CC2)C(C)=O)[nH]n1

BDBM50399297

COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCOCC2)[nH]n1

BDBM50399298

COc1ccc(cc1)-c1cc(NC(=O)CCCCCN2CCCN(CC2)C(C)=O)[nH]n1

BDBM50399299

COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCOCC2)[nH]n1

BDBM50399300

COc1ccc(cc1)-c1cc(NC(=O)CCN2CCCN(CC2)C(C)=O)[nH]n1

BDBM50399778

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(cs1)-c1ccccc1 |r,wU:3.2,wD:10.12,(6.11,-37.12,;6.11,-35.58,;4.78,-34.8,;3.45,-35.57,;2.12,-34.79,;.79,-35.57,;.79,-37.11,;2.12,-37.87,;1.33,-36.53,;2.71,-36.04,;3.45,-37.11,;4.78,-37.88,;4.78,-39.42,;3.44,-40.19,;3.44,-41.72,;4.77,-42.5,;6.11,-41.72,;6.11,-40.19,;7.27,-34.55,;7.27,-33.01,;8.73,-32.54,;9.63,-33.79,;8.72,-35.03,;9.51,-31.22,;11.05,-31.24,;11.84,-29.91,;11.08,-28.57,;9.53,-28.56,;8.75,-29.89,)|

BDBM50399794

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccc2cccnc12 |r,wU:3.2,wD:10.12,(18.66,-33.72,;18.66,-32.18,;17.33,-31.41,;15.99,-32.18,;14.67,-31.4,;13.34,-32.18,;13.34,-33.72,;14.67,-34.48,;13.88,-33.14,;15.26,-32.64,;15.99,-33.72,;17.33,-34.49,;17.33,-36.03,;15.99,-36.79,;15.99,-38.33,;17.32,-39.11,;18.66,-38.33,;18.66,-36.79,;20,-31.42,;21.32,-32.2,;22.66,-31.43,;22.67,-29.89,;21.32,-29.12,;21.32,-27.59,;20,-26.82,;18.66,-27.6,;18.67,-29.13,;19.99,-29.89,)|

BDBM50399799

Clc1cccnc1C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,(6.12,-14.18,;7.45,-14.95,;8.78,-14.18,;10.12,-14.95,;10.12,-16.49,;8.78,-17.26,;7.46,-16.48,;6.12,-17.24,;6.12,-18.78,;4.79,-16.47,;3.45,-17.24,;2.12,-16.46,;.8,-17.24,;.8,-18.78,;2.12,-19.54,;1.34,-18.2,;2.72,-17.7,;3.45,-18.78,;4.79,-19.55,;4.78,-21.09,;3.45,-21.85,;3.44,-23.39,;4.78,-24.17,;6.12,-23.39,;6.11,-21.85,)|

BDBM50399809

Oc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,(34.6,-38.29,;33.26,-39.06,;33.26,-40.6,;31.92,-41.37,;30.6,-40.59,;30.59,-39.06,;31.92,-38.29,;29.26,-41.35,;29.26,-42.89,;27.93,-40.58,;26.59,-41.34,;25.26,-40.57,;23.93,-41.34,;23.93,-42.88,;25.26,-43.65,;24.48,-42.31,;25.86,-41.81,;26.59,-42.88,;27.93,-43.66,;27.92,-45.2,;26.59,-45.96,;26.58,-47.5,;27.92,-48.27,;29.26,-47.5,;29.25,-45.96,)|

BDBM50399816

Fc1cccc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,(32.46,-14.2,;31.13,-13.43,;31.14,-11.88,;29.8,-11.11,;28.47,-11.88,;28.47,-13.41,;29.8,-14.19,;27.14,-14.18,;27.13,-15.72,;25.81,-13.4,;24.47,-14.17,;23.14,-13.39,;21.81,-14.17,;21.81,-15.71,;23.14,-16.47,;22.36,-15.13,;23.73,-14.64,;24.47,-15.71,;25.8,-16.48,;25.8,-18.02,;24.46,-18.79,;24.46,-20.32,;25.79,-21.1,;27.13,-20.32,;27.13,-18.79,)|

BDBM50399819

O=C(N[C@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:10.12,wD:3.2,(6.45,-21.04,;6.45,-19.5,;5.12,-18.72,;3.78,-19.49,;2.44,-18.71,;1.11,-19.49,;1.11,-21.04,;2.44,-21.8,;1.65,-20.45,;3.03,-19.96,;3.78,-21.04,;5.11,-21.81,;5.11,-23.35,;3.77,-24.12,;3.77,-25.66,;5.1,-26.43,;6.44,-25.65,;6.44,-24.12,;7.61,-18.46,;7.61,-16.92,;9.08,-16.46,;9.71,-15.06,;11.23,-14.91,;12.13,-16.16,;11.5,-17.56,;9.97,-17.7,;9.06,-18.94,)|

BDBM50399820

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cccc(-c3ccccn3)c2o1 |r,wU:3.2,wD:10.12,(6.12,-6.92,;6.12,-5.37,;4.79,-4.6,;3.45,-5.37,;2.12,-4.59,;.79,-5.37,;.79,-6.91,;2.12,-7.67,;1.33,-6.34,;2.71,-5.84,;3.45,-6.91,;4.78,-7.68,;4.78,-9.23,;3.45,-10,;3.44,-11.54,;4.77,-12.31,;6.12,-11.54,;6.11,-10,;7.28,-4.34,;7.29,-2.8,;8.75,-2.33,;9.38,-.95,;10.9,-.79,;11.8,-2.04,;11.17,-3.44,;11.88,-4.81,;13.42,-4.87,;14.13,-6.23,;13.31,-7.54,;11.76,-7.47,;11.05,-6.1,;9.64,-3.58,;8.74,-4.83,)|

BDBM50399821

COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:20.22,wD:27.32,(44.13,-52.77,;42.59,-52.71,;41.77,-54.02,;42.49,-55.38,;41.66,-56.69,;40.12,-56.62,;39.41,-55.25,;40.24,-53.95,;39.52,-52.59,;40.16,-51.19,;39.26,-49.94,;37.74,-50.1,;37.11,-51.49,;35.65,-51.96,;35.64,-53.49,;37.1,-53.97,;38,-52.74,;34.49,-54.53,;34.48,-56.07,;33.15,-53.75,;31.82,-54.52,;30.49,-53.74,;29.16,-54.52,;29.16,-56.06,;30.49,-56.82,;29.7,-55.48,;31.08,-54.98,;31.82,-56.06,;33.15,-56.83,;33.15,-58.37,;31.81,-59.14,;31.81,-60.68,;33.14,-61.45,;34.48,-60.68,;34.48,-59.14,)|

BDBM50399822

Clc1cc(Br)c2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:14.15,wD:21.25,(25.84,-48.8,;25.2,-50.21,;26.1,-51.46,;25.47,-52.86,;26.37,-54.11,;23.95,-53,;23.04,-54.24,;21.58,-53.76,;21.59,-52.22,;23.06,-51.76,;23.68,-50.36,;20.43,-54.8,;20.42,-56.34,;19.09,-54.02,;17.76,-54.79,;16.42,-54.01,;15.09,-54.79,;15.09,-56.33,;16.42,-57.09,;15.64,-55.75,;17.02,-55.26,;17.76,-56.33,;19.09,-57.1,;19.09,-58.65,;17.75,-59.41,;17.75,-60.95,;19.08,-61.73,;20.42,-60.95,;20.42,-59.41,)|

BDBM50399823

COc1c(oc2ccc(Cl)cc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:15.16,wD:22.26,(8.1,-50.6,;7.93,-52.13,;9.17,-53.04,;9.16,-54.58,;10.62,-55.06,;11.53,-53.82,;13.05,-53.68,;13.69,-52.28,;12.78,-51.03,;13.42,-49.62,;11.26,-51.19,;10.64,-52.58,;8.01,-55.62,;8,-57.16,;6.68,-54.84,;5.34,-55.61,;4.01,-54.83,;2.67,-55.61,;2.67,-57.15,;4.01,-57.91,;3.22,-56.57,;4.6,-56.08,;5.34,-57.15,;6.67,-57.92,;6.67,-59.47,;5.33,-60.23,;5.33,-61.77,;6.66,-62.55,;8.01,-61.77,;8,-60.23,)|

BDBM50399824

Cc1c(oc2c(Cl)cccc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:14.15,wD:21.25,(34.4,-38.71,;35.64,-39.62,;35.63,-41.16,;37.09,-41.64,;37.99,-40.4,;39.52,-40.26,;40.41,-41.51,;40.15,-38.86,;39.25,-37.61,;37.73,-37.77,;37.1,-39.16,;34.48,-42.19,;34.47,-43.74,;33.15,-41.42,;31.81,-42.19,;30.48,-41.41,;29.15,-42.19,;29.15,-43.73,;30.48,-44.49,;29.69,-43.15,;31.07,-42.65,;31.81,-43.73,;33.14,-44.5,;33.14,-46.04,;31.8,-46.81,;31.8,-48.35,;33.14,-49.12,;34.48,-48.34,;34.47,-46.81,)|

BDBM50399762

Cc1c(oc2ccc(Cl)cc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:14.15,wD:21.25,(19.47,-38.89,;20.72,-39.8,;20.71,-41.34,;22.17,-41.82,;23.07,-40.58,;24.59,-40.43,;25.23,-39.04,;24.33,-37.79,;24.96,-36.39,;22.81,-37.95,;22.18,-39.34,;19.56,-42.37,;19.55,-43.91,;18.22,-41.6,;16.89,-42.36,;15.56,-41.59,;14.22,-42.36,;14.22,-43.91,;15.56,-44.67,;14.77,-43.33,;16.15,-42.83,;16.89,-43.91,;18.22,-44.68,;18.22,-46.22,;16.88,-46.99,;16.88,-48.53,;18.21,-49.3,;19.55,-48.52,;19.55,-46.99,)|

BDBM50399763

Cc1c(oc2ccc(C)cc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:14.15,wD:21.25,(6.22,-40.18,;7.47,-41.09,;7.46,-42.62,;8.92,-43.11,;9.82,-41.87,;11.34,-41.72,;11.98,-40.32,;11.08,-39.08,;11.71,-37.67,;9.56,-39.23,;8.93,-40.62,;6.31,-43.66,;6.3,-45.2,;4.97,-42.88,;3.64,-43.65,;2.31,-42.87,;.97,-43.65,;.97,-45.19,;2.31,-45.95,;1.52,-44.61,;2.9,-44.12,;3.64,-45.19,;4.97,-45.96,;4.97,-47.5,;3.63,-48.27,;3.63,-49.81,;4.96,-50.58,;6.3,-49.81,;6.3,-48.27,)|

BDBM50399764

Cc1c(oc2c(F)cccc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:14.15,wD:21.25,(34.23,-28.03,;35.47,-28.94,;35.46,-30.48,;36.92,-30.96,;37.82,-29.72,;39.35,-29.57,;40.24,-30.83,;39.98,-28.18,;39.08,-26.93,;37.56,-27.09,;36.93,-28.47,;34.31,-31.51,;34.3,-33.05,;32.98,-30.74,;31.64,-31.5,;30.31,-30.73,;28.98,-31.5,;28.98,-33.05,;30.31,-33.81,;29.52,-32.47,;30.9,-31.97,;31.64,-33.05,;32.97,-33.82,;32.97,-35.36,;31.63,-36.13,;31.63,-37.67,;32.96,-38.44,;34.3,-37.66,;34.3,-36.13,)|

BDBM50399765

Cc1c(oc2ccc(F)cc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:14.15,wD:21.25,(19.29,-27.28,;20.54,-28.19,;20.53,-29.72,;21.99,-30.21,;22.89,-28.97,;24.41,-28.82,;25.05,-27.42,;24.15,-26.18,;24.78,-24.77,;22.63,-26.33,;22,-27.72,;19.38,-30.76,;19.37,-32.3,;18.04,-29.98,;16.71,-30.75,;15.38,-29.97,;14.05,-30.75,;14.05,-32.29,;15.38,-33.05,;14.59,-31.72,;15.97,-31.22,;16.71,-32.29,;18.04,-33.06,;18.04,-34.61,;16.7,-35.37,;16.7,-36.91,;18.03,-37.69,;19.37,-36.91,;19.37,-35.37,)|

BDBM50399766

Fc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:13.14,wD:20.24,(11.82,-24.93,;11.19,-26.33,;12.09,-27.58,;11.45,-28.98,;9.93,-29.13,;9.02,-30.37,;7.56,-29.88,;7.57,-28.35,;9.04,-27.88,;9.67,-26.49,;6.41,-30.92,;6.41,-32.46,;5.08,-30.14,;3.74,-30.91,;2.41,-30.13,;1.08,-30.91,;1.08,-32.45,;2.41,-33.21,;1.62,-31.88,;3,-31.38,;3.74,-32.45,;5.07,-33.22,;5.07,-34.77,;3.73,-35.53,;3.73,-37.07,;5.07,-37.85,;6.41,-37.07,;6.4,-35.53,)|

BDBM50399767

Oc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:13.14,wD:20.24,(39.86,-14.21,;39.23,-15.62,;40.13,-16.87,;39.49,-18.26,;37.97,-18.41,;37.07,-19.65,;35.61,-19.17,;35.61,-17.63,;37.08,-17.16,;37.71,-15.77,;34.45,-20.2,;34.45,-21.74,;33.12,-19.43,;31.78,-20.19,;30.45,-19.41,;29.12,-20.19,;29.12,-21.74,;30.45,-22.5,;29.66,-21.16,;31.04,-20.66,;31.78,-21.74,;33.12,-22.51,;33.11,-24.05,;31.77,-24.82,;31.77,-26.36,;33.11,-27.13,;34.45,-26.36,;34.45,-24.82,)|

BDBM50399768

Cc1ccc2cc(oc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:13.14,wD:20.24,(27.77,-15.84,;26.23,-15.99,;25.33,-14.75,;23.81,-14.9,;23.19,-16.29,;21.72,-16.76,;21.71,-18.3,;23.17,-18.78,;24.08,-17.54,;25.6,-17.39,;20.56,-19.33,;20.56,-20.87,;19.23,-18.55,;17.89,-19.32,;16.56,-18.54,;15.23,-19.32,;15.23,-20.86,;16.56,-21.63,;15.77,-20.29,;17.15,-19.79,;17.89,-20.86,;19.22,-21.64,;19.22,-23.18,;17.88,-23.94,;17.88,-25.48,;19.22,-26.26,;20.56,-25.48,;20.55,-23.94,)|

BDBM50399769

Cc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:13.14,wD:20.24,(11.59,-12.88,;10.96,-14.29,;11.86,-15.54,;11.22,-16.93,;9.7,-17.08,;8.8,-18.32,;7.34,-17.84,;7.34,-16.3,;8.81,-15.83,;9.44,-14.44,;6.18,-18.87,;6.18,-20.41,;4.85,-18.09,;3.51,-18.86,;2.18,-18.08,;.85,-18.86,;.85,-20.4,;2.18,-21.17,;1.4,-19.83,;2.77,-19.33,;3.51,-20.4,;4.85,-21.18,;4.84,-22.72,;3.51,-23.48,;3.5,-25.03,;4.84,-25.8,;6.18,-25.02,;6.18,-23.48,)|

BDBM50399770

Cc1c(oc2ccccc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:13.14,wD:20.24,(33.38,-1.89,;34.63,-2.8,;34.62,-4.34,;36.08,-4.82,;36.98,-3.58,;38.5,-3.43,;39.14,-2.04,;38.24,-.79,;36.72,-.94,;36.09,-2.33,;33.47,-5.37,;33.46,-6.91,;32.13,-4.6,;30.79,-5.36,;29.46,-4.59,;28.13,-5.36,;28.13,-6.91,;29.46,-7.67,;28.68,-6.33,;30.06,-5.83,;30.79,-6.91,;32.13,-7.68,;32.13,-9.22,;30.79,-9.99,;30.79,-11.53,;32.12,-12.3,;33.46,-11.53,;33.46,-9.99,)|

BDBM50399772

COc1cccc2cc(oc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:14.15,wD:21.25,(11.42,-6.5,;12.06,-5.09,;11.16,-3.84,;11.8,-2.44,;10.9,-1.19,;9.38,-1.35,;8.75,-2.74,;7.28,-3.21,;7.28,-4.75,;8.74,-5.23,;9.64,-3.99,;6.12,-5.78,;6.12,-7.32,;4.79,-5,;3.45,-5.77,;2.12,-4.99,;.79,-5.77,;.79,-7.31,;2.12,-8.08,;1.33,-6.74,;2.71,-6.24,;3.45,-7.31,;4.79,-8.09,;4.78,-9.63,;3.44,-10.4,;3.44,-11.94,;4.78,-12.71,;6.12,-11.93,;6.12,-10.4,)|

BDBM50399773

COc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:14.15,wD:21.25,(40.87,-44.06,;39.33,-44.22,;38.7,-45.63,;39.6,-46.88,;38.97,-48.27,;37.44,-48.42,;36.54,-49.66,;35.08,-49.18,;35.09,-47.64,;36.55,-47.17,;37.18,-45.78,;33.93,-50.21,;33.92,-51.75,;32.59,-49.44,;31.25,-50.2,;29.92,-49.42,;28.59,-50.2,;28.59,-51.75,;29.92,-52.51,;29.14,-51.17,;30.52,-50.67,;31.25,-51.75,;32.59,-52.52,;32.59,-54.06,;31.25,-54.83,;31.24,-56.37,;32.58,-57.15,;33.92,-56.37,;33.92,-54.83,)|

BDBM50399774

Brc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:13.14,wD:20.24,(24.79,-45.11,;24.16,-46.52,;25.06,-47.77,;24.43,-49.17,;22.9,-49.31,;22,-50.55,;20.54,-50.07,;20.55,-48.53,;22.01,-48.07,;22.64,-46.68,;19.39,-51.11,;19.38,-52.65,;18.05,-50.33,;16.71,-51.1,;15.38,-50.32,;14.05,-51.1,;14.05,-52.64,;15.38,-53.4,;14.6,-52.06,;15.98,-51.57,;16.71,-52.64,;18.05,-53.41,;18.05,-54.96,;16.71,-55.72,;16.7,-57.26,;18.04,-58.04,;19.38,-57.26,;19.38,-55.72,)|

BDBM50399775

Clc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:13.14,wD:20.24,(12,-44.81,;11.37,-46.21,;12.27,-47.46,;11.63,-48.86,;10.11,-49.01,;9.21,-50.25,;7.75,-49.76,;7.75,-48.23,;9.22,-47.76,;9.85,-46.37,;6.59,-50.8,;6.59,-52.34,;5.26,-50.02,;3.92,-50.79,;2.59,-50.01,;1.26,-50.79,;1.26,-52.33,;2.59,-53.1,;1.8,-51.76,;3.18,-51.26,;3.92,-52.33,;5.25,-53.11,;5.25,-54.65,;3.91,-55.42,;3.91,-56.96,;5.25,-57.73,;6.59,-56.95,;6.58,-55.42,)|

BDBM50399776

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1cccs1 |r,wU:3.2,wD:10.12,(34.31,-36.29,;34.32,-34.75,;32.99,-33.98,;31.65,-34.74,;30.32,-33.97,;28.99,-34.74,;28.99,-36.28,;30.32,-37.05,;29.54,-35.71,;30.91,-35.21,;31.65,-36.28,;32.98,-37.06,;32.98,-38.6,;31.64,-39.36,;31.64,-40.9,;32.97,-41.67,;34.31,-40.9,;34.31,-39.36,;35.47,-33.72,;35.48,-32.19,;36.94,-31.72,;37.84,-32.96,;36.93,-34.2,;39.38,-32.97,;40.29,-31.73,;41.75,-32.21,;41.74,-33.75,;40.27,-34.22,)|

BDBM50399777

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1ccccn1 |r,wU:3.2,wD:10.12,(17.82,-36.07,;17.82,-34.53,;16.49,-33.76,;15.15,-34.53,;13.82,-33.75,;12.49,-34.53,;12.49,-36.07,;13.82,-36.83,;13.04,-35.49,;14.42,-34.99,;15.15,-36.07,;16.48,-36.84,;16.48,-38.38,;15.15,-39.14,;15.14,-40.68,;16.48,-41.46,;17.82,-40.68,;17.81,-39.14,;18.97,-33.5,;18.98,-31.97,;20.44,-31.5,;21.34,-32.75,;20.43,-33.98,;22.88,-32.76,;23.65,-31.43,;25.18,-31.43,;25.95,-32.77,;25.18,-34.1,;23.64,-34.1,)|

BDBM50399779

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1ccccc1 |r,wU:3.2,wD:10.12,(40.04,-22.15,;40.04,-20.61,;38.71,-19.84,;37.37,-20.6,;36.04,-19.83,;34.72,-20.6,;34.72,-22.14,;36.04,-22.91,;35.26,-21.57,;36.64,-21.07,;37.37,-22.14,;38.71,-22.92,;38.7,-24.46,;37.37,-25.22,;37.36,-26.76,;38.7,-27.53,;40.04,-26.76,;40.03,-25.22,;41.19,-19.58,;41.2,-18.04,;42.66,-17.58,;43.56,-18.82,;42.65,-20.06,;45.1,-18.83,;45.86,-20.17,;47.4,-20.18,;48.18,-18.85,;47.4,-17.51,;45.87,-17.51,)|

BDBM50399780

Ic1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(34.89,-18.91,;33.35,-18.9,;32.45,-17.65,;30.99,-18.12,;30.98,-19.66,;32.44,-20.14,;29.83,-20.69,;29.83,-22.23,;28.5,-19.92,;27.16,-20.68,;25.83,-19.9,;24.51,-20.68,;24.51,-22.22,;25.83,-22.98,;25.05,-21.65,;26.43,-21.15,;27.16,-22.22,;28.5,-22.99,;28.49,-24.53,;27.16,-25.3,;27.15,-26.84,;28.49,-27.61,;29.83,-26.83,;29.82,-25.3,)|

BDBM50399781

Brc1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(21.88,-19.63,;20.34,-19.62,;19.44,-18.37,;17.98,-18.84,;17.97,-20.37,;19.43,-20.86,;16.82,-21.41,;16.81,-22.95,;15.48,-20.63,;14.15,-21.4,;12.82,-20.62,;11.49,-21.4,;11.49,-22.94,;12.82,-23.7,;12.03,-22.36,;13.41,-21.86,;14.15,-22.94,;15.48,-23.71,;15.48,-25.25,;14.14,-26.01,;14.14,-27.55,;15.47,-28.33,;16.81,-27.55,;16.81,-26.01,)|

BDBM50399782

Cc1ccsc1\C=C\C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:11.11,wD:18.21,(35.12,-1.47,;36.37,-2.37,;37.83,-1.89,;38.74,-3.13,;37.84,-4.38,;36.38,-3.91,;35.04,-4.67,;33.71,-3.9,;32.37,-4.67,;32.37,-6.21,;31.04,-3.89,;29.7,-4.66,;28.38,-3.88,;27.05,-4.66,;27.05,-6.2,;28.38,-6.96,;27.59,-5.62,;28.97,-5.13,;29.7,-6.2,;31.04,-6.97,;31.04,-8.51,;29.7,-9.28,;29.7,-10.81,;31.03,-11.59,;32.37,-10.81,;32.36,-9.28,)|

BDBM50399783

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)\C=C\c1ccccc1 |r,wU:3.2,wD:10.12,(18.34,-5.97,;18.35,-4.43,;17.02,-3.65,;15.68,-4.42,;14.35,-3.64,;13.02,-4.42,;13.02,-5.96,;14.35,-6.72,;13.57,-5.38,;14.94,-4.88,;15.68,-5.96,;17.01,-6.73,;17.01,-8.27,;15.67,-9.04,;15.67,-10.57,;17.01,-11.35,;18.34,-10.57,;18.34,-9.03,;19.68,-3.66,;21.02,-4.43,;22.35,-3.67,;23.68,-4.45,;25.01,-3.68,;25.02,-2.14,;23.68,-1.37,;22.35,-2.14,)|

BDBM50399784

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(on1)-c1ccccc1 |r,wU:3.2,wD:10.12,(6.26,-10.3,;6.27,-8.76,;4.94,-7.98,;3.6,-8.75,;2.27,-7.97,;.94,-8.75,;.94,-10.29,;2.27,-11.05,;1.49,-9.72,;2.86,-9.22,;3.6,-10.29,;4.93,-11.06,;4.93,-12.6,;3.6,-13.37,;3.59,-14.91,;4.93,-15.68,;6.27,-14.9,;6.26,-13.37,;7.61,-7.99,;7.61,-6.46,;9.06,-5.99,;9.96,-7.23,;9.06,-8.47,;9.85,-4.67,;11.39,-4.69,;12.17,-3.37,;11.41,-2.03,;9.87,-2.01,;9.09,-3.34,)|

BDBM50399785

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccon1 |r,wU:3.2,wD:10.12,(38.08,-56.32,;38.08,-54.78,;36.75,-54.01,;35.41,-54.77,;34.08,-54,;32.76,-54.77,;32.76,-56.31,;34.08,-57.08,;33.3,-55.74,;34.68,-55.24,;35.41,-56.31,;36.75,-57.09,;36.74,-58.63,;35.41,-59.39,;35.4,-60.93,;36.74,-61.7,;38.08,-60.93,;38.07,-59.39,;39.42,-54.01,;39.42,-52.49,;40.87,-52.01,;41.77,-53.25,;40.87,-54.49,)|

BDBM50399786

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(o1)-c1ccccc1 |r,wU:3.2,wD:10.12,(22.82,-56.93,;22.83,-55.39,;21.5,-54.61,;20.16,-55.38,;18.83,-54.6,;17.5,-55.38,;17.5,-56.92,;18.83,-57.68,;18.05,-56.34,;19.42,-55.85,;20.16,-56.92,;21.49,-57.69,;21.49,-59.23,;20.15,-60,;20.15,-61.54,;21.49,-62.31,;22.82,-61.53,;22.82,-60,;24.16,-54.62,;24.17,-53.09,;25.62,-52.62,;26.52,-53.86,;25.62,-55.1,;28.05,-53.86,;28.82,-55.2,;30.36,-55.2,;31.13,-53.86,;30.35,-52.53,;28.82,-52.53,)|

BDBM50399787

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(o1)-c1ccccn1 |r,wU:3.2,wD:10.12,(6.75,-56.61,;6.76,-55.07,;5.43,-54.29,;4.09,-55.06,;2.76,-54.28,;1.43,-55.06,;1.43,-56.6,;2.76,-57.36,;1.98,-56.03,;3.35,-55.53,;4.09,-56.6,;5.42,-57.37,;5.42,-58.91,;4.09,-59.68,;4.08,-61.22,;5.42,-61.99,;6.76,-61.21,;6.75,-59.68,;8.1,-54.3,;8.1,-52.77,;9.55,-52.3,;10.45,-53.54,;9.55,-54.78,;11.98,-53.54,;12.75,-52.21,;14.29,-52.21,;15.06,-53.55,;14.29,-54.88,;12.75,-54.88,)|

BDBM50399788

Brc1ccc(o1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(45.59,-41.07,;44.05,-41.07,;43.15,-39.83,;41.69,-40.3,;41.69,-41.83,;43.15,-42.3,;40.36,-42.6,;40.35,-44.14,;39.02,-41.82,;37.69,-42.59,;36.36,-41.81,;35.03,-42.59,;35.03,-44.13,;36.36,-44.89,;35.57,-43.55,;36.95,-43.06,;37.69,-44.13,;39.02,-44.9,;39.02,-46.44,;37.68,-47.21,;37.68,-48.75,;39.01,-49.52,;40.35,-48.74,;40.35,-47.21,)|

BDBM50399789

Brc1ccoc1C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(30.28,-39.8,;31.52,-40.71,;32.98,-40.24,;33.88,-41.48,;32.98,-42.71,;31.52,-42.24,;30.19,-43.01,;30.18,-44.55,;28.86,-42.23,;27.52,-43,;26.19,-42.22,;24.86,-43,;24.86,-44.54,;26.19,-45.3,;25.41,-43.96,;26.78,-43.46,;27.52,-44.54,;28.85,-45.31,;28.85,-46.85,;27.51,-47.61,;27.51,-49.15,;28.84,-49.93,;30.18,-49.15,;30.18,-47.61,)|

BDBM50399790

Clc1coc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(22.68,-39.72,;22.21,-41.18,;23.1,-42.42,;22.2,-43.65,;20.75,-43.18,;20.75,-41.65,;19.41,-43.95,;19.41,-45.49,;18.08,-43.17,;16.75,-43.94,;15.42,-43.16,;14.09,-43.94,;14.09,-45.48,;15.42,-46.24,;14.63,-44.9,;16.01,-44.41,;16.75,-45.48,;18.08,-46.25,;18.08,-47.79,;16.74,-48.56,;16.74,-50.09,;18.07,-50.87,;19.41,-50.09,;19.41,-48.55,)|

BDBM50399791

Cc1ccc(o1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(11.8,-41.67,;10.26,-41.67,;9.36,-40.43,;7.9,-40.9,;7.9,-42.43,;9.35,-42.91,;6.56,-43.2,;6.56,-44.74,;5.23,-42.43,;3.9,-43.19,;2.57,-42.41,;1.24,-43.19,;1.24,-44.73,;2.57,-45.49,;1.78,-44.16,;3.16,-43.66,;3.9,-44.73,;5.23,-45.5,;5.23,-47.04,;3.89,-47.81,;3.89,-49.35,;5.22,-50.12,;6.56,-49.34,;6.56,-47.81,)|

BDBM50399792

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2cn1 |r,wU:3.2,wD:10.12,(41.77,-32.17,;41.78,-30.63,;40.44,-29.86,;39.11,-30.62,;37.78,-29.84,;36.45,-30.62,;36.45,-32.16,;37.78,-32.92,;36.99,-31.59,;38.37,-31.09,;39.11,-32.16,;40.44,-32.93,;40.44,-34.47,;39.1,-35.24,;39.1,-36.78,;40.43,-37.55,;41.77,-36.78,;41.77,-35.24,;43.11,-29.86,;43.11,-28.33,;44.44,-27.56,;44.44,-26.03,;45.77,-25.26,;47.11,-26.03,;47.1,-27.57,;45.77,-28.34,;45.77,-29.88,;44.44,-30.64,)|

BDBM50399795

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc2ccccc2n1 |r,wU:3.2,wD:10.12,(7.54,-32.22,;7.54,-30.68,;6.21,-29.91,;4.88,-30.68,;3.55,-29.9,;2.22,-30.68,;2.22,-32.22,;3.55,-32.98,;2.76,-31.64,;4.14,-31.14,;4.88,-32.22,;6.21,-32.99,;6.21,-34.53,;4.87,-35.29,;4.87,-36.83,;6.2,-37.61,;7.54,-36.83,;7.54,-35.29,;8.88,-29.92,;8.88,-28.39,;10.21,-27.62,;11.55,-28.39,;12.87,-27.63,;14.19,-28.39,;14.19,-29.93,;12.86,-30.7,;11.54,-29.93,;10.21,-30.7,)|

BDBM50399796

Clc1cccc(n1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,(44.25,-18.33,;42.92,-17.56,;42.92,-16.02,;41.58,-15.24,;40.25,-16.01,;40.26,-17.54,;41.58,-18.32,;38.92,-18.31,;38.92,-19.85,;37.59,-17.54,;36.25,-18.3,;34.92,-17.52,;33.6,-18.3,;33.6,-19.84,;34.92,-20.6,;34.14,-19.27,;35.52,-18.77,;36.25,-19.84,;37.59,-20.61,;37.58,-22.15,;36.25,-22.92,;36.24,-24.46,;37.58,-25.23,;38.92,-24.45,;38.91,-22.92,)|

BDBM50399797

Clc1ccc(nc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,(33.71,-15.48,;32.38,-16.24,;31.04,-15.47,;29.71,-16.24,;29.71,-17.77,;31.04,-18.55,;32.37,-17.79,;28.37,-18.54,;28.37,-20.08,;27.04,-17.76,;25.71,-18.53,;24.38,-17.75,;23.05,-18.53,;23.05,-20.07,;24.38,-20.83,;23.59,-19.49,;24.97,-18.99,;25.71,-20.07,;27.04,-20.84,;27.04,-22.38,;25.7,-23.14,;25.7,-24.68,;27.03,-25.46,;28.37,-24.68,;28.37,-23.14,)|

BDBM50399798

Clc1ccnc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,(19.65,-12.2,;19.65,-13.74,;20.99,-14.52,;20.98,-16.06,;19.65,-16.82,;18.32,-16.04,;18.32,-14.51,;16.99,-16.81,;16.98,-18.35,;15.66,-16.03,;14.32,-16.8,;12.99,-16.02,;11.66,-16.8,;11.66,-18.34,;12.99,-19.1,;12.21,-17.77,;13.58,-17.27,;14.32,-18.34,;15.65,-19.11,;15.65,-20.65,;14.31,-21.42,;14.31,-22.96,;15.64,-23.73,;16.98,-22.95,;16.98,-21.42,)|

BDBM50399800

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccncc1 |r,wU:3.2,wD:10.12,(39.85,-7.06,;39.85,-5.52,;38.52,-4.75,;37.19,-5.51,;35.86,-4.74,;34.53,-5.51,;34.53,-7.05,;35.86,-7.82,;35.07,-6.48,;36.45,-5.98,;37.19,-7.05,;38.52,-7.83,;38.52,-9.37,;37.18,-10.13,;37.18,-11.67,;38.51,-12.44,;39.85,-11.67,;39.85,-10.13,;41.19,-4.76,;42.52,-5.54,;43.85,-4.77,;43.86,-3.23,;42.52,-2.46,;41.19,-3.23,)|

BDBM50399801

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccn1 |r,wU:3.2,wD:10.12,(30.17,-7.48,;30.18,-5.93,;28.85,-5.16,;27.51,-5.93,;26.18,-5.15,;24.85,-5.93,;24.85,-7.47,;26.18,-8.23,;25.4,-6.89,;26.77,-6.39,;27.51,-7.47,;28.84,-8.24,;28.84,-9.78,;27.5,-10.54,;27.5,-12.08,;28.84,-12.86,;30.18,-12.08,;30.17,-10.54,;31.51,-5.17,;31.51,-3.64,;32.84,-2.87,;34.18,-3.64,;34.18,-5.18,;32.84,-5.95,)|

BDBM50399802

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccnc1 |r,wU:3.2,wD:10.12,(18.75,-6.94,;18.75,-5.4,;17.42,-4.62,;16.09,-5.39,;14.76,-4.61,;13.43,-5.39,;13.43,-6.93,;14.76,-7.69,;13.97,-6.35,;15.35,-5.86,;16.09,-6.93,;17.42,-7.7,;17.42,-9.24,;16.08,-10.01,;16.08,-11.55,;17.41,-12.32,;18.75,-11.54,;18.75,-10.01,;20.09,-4.63,;20.08,-3.1,;21.41,-2.33,;22.76,-3.11,;22.75,-4.65,;21.41,-5.41,)|

BDBM50399803

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc2OCCOc2c1 |r,wU:3.2,wD:10.12,(6.11,-6.8,;6.11,-5.26,;4.78,-4.48,;3.45,-5.25,;2.12,-4.47,;.79,-5.25,;.79,-6.79,;2.12,-7.55,;1.33,-6.21,;2.71,-5.72,;3.45,-6.79,;4.78,-7.56,;4.78,-9.1,;3.44,-9.87,;3.44,-11.41,;4.77,-12.18,;6.11,-11.4,;6.11,-9.87,;7.45,-4.49,;7.45,-2.96,;8.77,-2.19,;10.12,-2.97,;11.45,-2.19,;12.79,-2.97,;12.78,-4.51,;11.44,-5.28,;10.11,-4.51,;8.78,-5.27,)|

BDBM50399804

COc1cc(F)c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)c(F)c1 |r,wU:10.9,wD:17.19,(46.25,-53.28,;44.92,-52.51,;43.58,-53.28,;43.58,-54.82,;42.24,-55.58,;42.23,-57.12,;40.92,-54.8,;39.58,-55.57,;39.58,-57.11,;38.25,-54.8,;36.91,-55.56,;35.58,-54.78,;34.26,-55.56,;34.26,-57.1,;35.58,-57.86,;34.8,-56.53,;36.18,-56.03,;36.91,-57.1,;38.25,-57.87,;38.24,-59.41,;36.91,-60.18,;36.9,-61.72,;38.24,-62.49,;39.58,-61.71,;39.57,-60.18,;40.91,-53.27,;39.58,-52.51,;42.24,-52.5,)|

BDBM50399805

Clc1ccc(cc1Cl)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:11.11,wD:18.21,(33.59,-52.81,;32.26,-53.57,;30.92,-52.8,;29.59,-53.57,;29.59,-55.1,;30.92,-55.88,;32.25,-55.12,;33.58,-55.89,;28.26,-55.87,;28.25,-57.41,;26.93,-55.09,;25.59,-55.86,;24.26,-55.08,;22.93,-55.86,;22.93,-57.4,;24.26,-58.16,;23.48,-56.82,;24.85,-56.32,;25.59,-57.4,;26.92,-58.17,;26.92,-59.71,;25.58,-60.47,;25.58,-62.01,;26.91,-62.79,;28.25,-62.01,;28.25,-60.47,)|

BDBM50399806

Clc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)c(Cl)c1 |r,wU:8.7,wD:15.17,(22.87,-52.69,;21.53,-53.46,;20.19,-52.69,;18.86,-53.46,;18.87,-54.99,;17.53,-55.75,;17.53,-57.29,;16.2,-54.98,;14.87,-55.75,;13.54,-54.97,;12.21,-55.75,;12.21,-57.29,;13.54,-58.05,;12.75,-56.71,;14.13,-56.21,;14.87,-57.29,;16.2,-58.06,;16.2,-59.6,;14.86,-60.36,;14.86,-61.9,;16.19,-62.68,;17.53,-61.9,;17.53,-60.36,;20.19,-55.77,;20.18,-57.31,;21.53,-55,)|

BDBM50399807

Oc1ccc(cc1F)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:11.11,wD:18.21,(12.1,-51.99,;10.76,-52.76,;9.42,-51.99,;8.09,-52.76,;8.1,-54.29,;9.42,-55.07,;10.76,-54.3,;12.09,-55.08,;6.76,-55.05,;6.76,-56.59,;5.43,-54.28,;4.09,-55.05,;2.76,-54.27,;1.43,-55.05,;1.43,-56.59,;2.76,-57.35,;1.98,-56.01,;3.35,-55.51,;4.09,-56.59,;5.42,-57.36,;5.42,-58.9,;4.09,-59.66,;4.08,-61.2,;5.42,-61.98,;6.76,-61.2,;6.75,-59.66,)|

BDBM50399808

OCc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:11.11,wD:18.21,(45.96,-39.75,;44.63,-38.98,;43.3,-39.74,;43.29,-41.29,;41.95,-42.05,;40.63,-41.27,;40.62,-39.74,;41.95,-38.97,;39.29,-42.04,;39.29,-43.58,;37.96,-41.26,;36.63,-42.03,;35.3,-41.25,;33.97,-42.03,;33.97,-43.57,;35.3,-44.33,;34.51,-42.99,;35.89,-42.5,;36.63,-43.57,;37.96,-44.34,;37.96,-45.88,;36.62,-46.65,;36.62,-48.18,;37.95,-48.96,;39.29,-48.18,;39.29,-46.65,)|

BDBM50399810

COc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:11.11,wD:18.21,(23.91,-38.77,;22.58,-38,;21.25,-38.76,;21.24,-40.31,;19.9,-41.07,;18.58,-40.29,;18.57,-38.76,;19.9,-37.99,;17.24,-41.06,;17.24,-42.6,;15.91,-40.28,;14.58,-41.05,;13.25,-40.27,;11.92,-41.05,;11.92,-42.59,;13.25,-43.35,;12.46,-42.01,;13.84,-41.52,;14.58,-42.59,;15.91,-43.36,;15.91,-44.9,;14.57,-45.67,;14.57,-47.2,;15.9,-47.98,;17.24,-47.2,;17.24,-45.67,)|

BDBM50399813

Clc1cccc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,(22.35,-28.33,;21.02,-27.56,;21.03,-26.02,;19.69,-25.24,;18.36,-26.01,;18.36,-27.54,;19.69,-28.32,;17.03,-28.31,;17.02,-29.85,;15.69,-27.53,;14.36,-28.3,;13.03,-27.52,;11.7,-28.3,;11.7,-29.84,;13.03,-30.6,;12.24,-29.27,;13.62,-28.77,;14.36,-29.84,;15.69,-30.61,;15.69,-32.15,;14.35,-32.92,;14.35,-34.46,;15.68,-35.23,;17.02,-34.45,;17.02,-32.92,)|

BDBM50399814

Clc1ccccc1C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,(9.12,-29.19,;9.13,-27.65,;10.47,-26.88,;10.47,-25.34,;9.13,-24.57,;7.8,-25.34,;7.81,-26.87,;6.47,-27.63,;6.47,-29.17,;5.14,-26.86,;3.8,-27.62,;2.47,-26.85,;1.15,-27.62,;1.15,-29.16,;2.47,-29.93,;1.69,-28.59,;3.07,-28.09,;3.8,-29.16,;5.14,-29.94,;5.13,-31.48,;3.8,-32.24,;3.79,-33.78,;5.13,-34.55,;6.47,-33.78,;6.46,-32.24,)|

BDBM50399815

Fc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,(44.26,-11.46,;42.92,-12.23,;42.92,-13.77,;41.58,-14.53,;40.26,-13.75,;40.25,-12.22,;41.58,-11.45,;38.92,-14.52,;38.92,-16.06,;37.59,-13.74,;36.25,-14.51,;34.92,-13.73,;33.59,-14.51,;33.59,-16.05,;34.92,-16.81,;34.14,-15.48,;35.52,-14.98,;36.25,-16.05,;37.59,-16.82,;37.58,-18.36,;36.25,-19.13,;36.24,-20.67,;37.58,-21.44,;38.92,-20.66,;38.91,-19.13,)|

BDBM50399817

Fc1ccccc1C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,(19.05,-15.15,;19.06,-13.61,;20.39,-12.84,;20.4,-11.3,;19.06,-10.53,;17.73,-11.3,;17.73,-12.83,;16.4,-13.59,;16.39,-15.13,;15.06,-12.82,;13.73,-13.59,;12.4,-12.81,;11.07,-13.59,;11.07,-15.13,;12.4,-15.89,;11.61,-14.55,;12.99,-14.05,;13.73,-15.13,;15.06,-15.9,;15.06,-17.44,;13.72,-18.2,;13.72,-19.74,;15.05,-20.51,;16.39,-19.74,;16.39,-18.2,)|

BDBM50399818

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(23.13,-6.85,;23.15,-5.31,;21.83,-4.52,;20.48,-5.27,;19.01,-4.63,;17.66,-5.24,;17.38,-6.63,;18.75,-6,;18.5,-4.09,;18.94,-2.99,;20.29,-6.65,;21.05,-7.99,;20.26,-9.32,;18.72,-9.3,;17.94,-10.63,;18.7,-11.97,;20.25,-11.98,;21.03,-10.65,;24.49,-4.55,;25.81,-5.34,;27.16,-4.59,;27.18,-3.05,;25.84,-2.26,;24.51,-3.02,)|

BDBM50399826

O=C(N[C@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1 |r,wD:10.12,3.2,(32.14,-19.73,;32.15,-18.19,;30.82,-17.42,;29.48,-18.19,;28.15,-17.4,;26.82,-18.19,;26.82,-19.73,;28.15,-20.49,;27.36,-19.15,;28.74,-18.65,;29.48,-19.73,;30.82,-20.5,;30.81,-22.04,;29.47,-22.81,;29.47,-24.35,;30.81,-25.13,;32.15,-24.34,;32.15,-22.81,;33.31,-17.16,;33.31,-15.62,;34.78,-15.15,;35.41,-13.75,;36.93,-13.61,;37.83,-14.85,;37.2,-16.25,;35.67,-16.4,;34.77,-17.64,)|

BDBM50399771

CCOc1cccc2cc(oc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:15.16,wD:22.26,(27.02,-8.29,;26.13,-7.03,;26.77,-5.63,;25.87,-4.37,;26.5,-2.98,;25.6,-1.73,;24.08,-1.89,;23.46,-3.27,;21.99,-3.74,;21.99,-5.28,;23.44,-5.76,;24.35,-4.52,;20.83,-6.31,;20.83,-7.85,;19.5,-5.54,;18.16,-6.3,;16.83,-5.53,;15.5,-6.3,;15.5,-7.85,;16.83,-8.61,;16.05,-7.27,;17.42,-6.77,;18.16,-7.85,;19.5,-8.62,;19.49,-10.16,;18.16,-10.93,;18.15,-12.47,;19.49,-13.24,;20.83,-12.46,;20.82,-10.93,)|

BDBM50399793

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1nccc2ccccc12 |r,wU:3.2,wD:10.12,(29.6,-31.39,;29.6,-29.85,;28.27,-29.08,;26.94,-29.84,;25.61,-29.07,;24.28,-29.84,;24.28,-31.38,;25.61,-32.15,;24.82,-30.81,;26.2,-30.31,;26.94,-31.38,;28.27,-32.16,;28.27,-33.7,;26.93,-34.46,;26.93,-36,;28.26,-36.77,;29.6,-36,;29.6,-34.46,;30.94,-29.09,;30.93,-27.56,;32.26,-26.79,;33.61,-27.56,;33.6,-29.1,;34.92,-29.87,;34.92,-31.4,;33.58,-32.17,;32.26,-31.4,;32.26,-29.86,)|

BDBM50399811

CN(C)c1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:12.12,wD:19.22,(13.07,-39.29,;11.74,-38.52,;11.74,-36.98,;10.4,-39.29,;10.4,-40.83,;9.06,-41.59,;7.74,-40.81,;7.73,-39.28,;9.06,-38.51,;6.4,-41.58,;6.4,-43.12,;5.07,-40.8,;3.73,-41.57,;2.4,-40.79,;1.08,-41.57,;1.08,-43.11,;2.4,-43.87,;1.62,-42.53,;3,-42.04,;3.73,-43.11,;5.07,-43.88,;5.06,-45.42,;3.73,-46.19,;3.72,-47.73,;5.06,-48.5,;6.4,-47.72,;6.39,-46.19,)|

BDBM50399812

Clc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,(34.48,-26.27,;33.14,-27.04,;33.14,-28.58,;31.8,-29.34,;30.47,-28.56,;30.47,-27.03,;31.8,-26.26,;29.14,-29.33,;29.13,-30.87,;27.81,-28.56,;26.47,-29.32,;25.14,-28.54,;23.81,-29.32,;23.81,-30.86,;25.14,-31.62,;24.36,-30.29,;25.73,-29.79,;26.47,-30.86,;27.8,-31.63,;27.8,-33.17,;26.46,-33.94,;26.46,-35.48,;27.8,-36.25,;29.13,-35.48,;29.13,-33.94,)|

BDBM50416398

O=C(Cc1nc(-c2ccc3OCOc3c2)c2ccccc2n1)NC1Cc2ccccc2C1

BDBM50416399

O=C(Cc1nc(C2CCCCC2)c2ccsc2n1)NC1Cc2ccccc2C1

BDBM50416400

Fc1ccc2c(c1)c(nn(CC(=O)NC1Cc3ccccc3C1)c2=O)-c1ccc(Cl)cc1

BDBM50416401

FC1(F)CCC(CC1)c1nn(CC(=O)NCCOc2ccccc2)c(=O)c2ccccc12

BDBM50416402

O=C(Cn1nc(C2CCCCC2)c2ccccc2c1=O)NCCc1ccccc1

BDBM50416403

FC1(F)CCC(CC1)c1nn(CC(=O)NC2Cc3ccccc3C2)c(=O)c2ccncc12

BDBM50416404

O=C(Cn1nc(C2CCCCC2)c2ccccc2c1=O)NC1Cc2ccccc2C1

BDBM50416405

O=C(Cc1nc(C2CCCCC2)c2ccccc2n1)NC1Cc2ccccc2C1

BDBM50416406

COc1ccc(Cc2cc(nn(CC(=O)NC3Cc4ccccc4C3)c2=O)C2CCCCC2)cn1

BDBM50416407

O=C(Cn1nc(cc(Cc2ccoc2)c1=O)C1CCCCC1)NC1Cc2ccccc2C1

BDBM50416408

Fc1cccc(CCNC(=O)Cn2nc(cc(Cc3ccco3)c2=O)C2CCCCC2)c1

BDBM50416397

O=C(Cn1nc(cc(Cc2ccco2)c1=O)C1CCCCC1)NC1Cc2ccccc2C1

BDBM50416396

Cc1ccc(NC(=O)c2cc(c(s2)N2CCOCC2)-c2ccccc2)c(C)c1

BDBM50416409

Fc1ccc(NC(=O)c2cc(c(s2)N2CCOCC2)-c2ccccc2)cc1

BDBM50416410

Cc1ccc(NC(=O)c2cc(c(s2)N2CCOCC2)-c2ccccc2)cc1

BDBM50417090

c1ccc(cc1)NC(=O)O[C@H]2[C@@H](N3CCC2CC3)Cc4cccnc4

BDBM50417091

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Nc1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(6.76,4.22,;6.78,5.76,;5.45,6.55,;4.11,5.8,;2.64,6.44,;1.29,5.83,;1.01,4.44,;2.38,5.07,;2.13,6.97,;2.57,8.09,;3.92,4.42,;4.68,3.08,;3.89,1.75,;2.35,1.77,;1.57,.44,;2.33,-.9,;3.88,-.91,;4.66,.42,;8.12,6.52,;9.45,5.73,;9.42,4.19,;10.75,3.4,;12.09,4.15,;12.11,5.7,;10.78,6.48,)|

BDBM50417092

Brc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 |r,wU:9.8,wD:16.18,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(.24,-7.48,;-1.08,-6.7,;-2.43,-7.45,;-3.75,-6.66,;-3.73,-5.12,;-5.05,-4.33,;-6.39,-5.08,;-6.41,-6.62,;-7.72,-4.3,;-9.06,-5.05,;-10.53,-4.41,;-11.89,-5.02,;-12.17,-6.41,;-10.79,-5.78,;-11.05,-3.87,;-10.6,-2.77,;-9.26,-6.43,;-8.5,-7.77,;-9.28,-9.1,;-10.82,-9.08,;-11.61,-10.4,;-10.84,-11.74,;-9.29,-11.75,;-8.52,-10.43,;-2.39,-4.37,;-1.07,-5.15,)|

BDBM50417093

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Oc1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(9.02,-7.03,;9.04,-5.49,;7.71,-4.7,;6.37,-5.45,;4.9,-4.81,;3.55,-5.42,;3.27,-6.81,;4.64,-6.18,;4.38,-4.27,;4.83,-3.16,;6.17,-6.83,;6.93,-8.17,;6.15,-9.5,;4.61,-9.48,;3.83,-10.81,;4.59,-12.15,;6.14,-12.16,;6.91,-10.83,;10.38,-4.73,;11.71,-5.52,;11.68,-7.06,;13,-7.85,;14.35,-7.1,;14.37,-5.55,;13.04,-4.77,)|

BDBM50417100

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccs1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(18.11,-17.12,;18.13,-15.58,;16.81,-14.79,;15.46,-15.54,;14,-14.9,;12.64,-15.51,;12.37,-16.9,;13.74,-16.27,;13.48,-14.37,;13.93,-13.26,;15.27,-16.92,;16.03,-18.27,;15.25,-19.59,;13.71,-19.57,;12.93,-20.9,;13.69,-22.24,;15.24,-22.25,;16.01,-20.92,;19.48,-14.83,;19.65,-13.3,;21.16,-13,;21.91,-14.34,;20.87,-15.48,)|

BDBM50417094

O=C(Nc1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:10.10,THB:9:10:13.14:17.16,(28.34,-18.07,;28.36,-16.53,;29.7,-15.78,;31.03,-16.57,;31,-18.11,;32.33,-18.9,;33.67,-18.14,;33.69,-16.6,;32.37,-15.81,;27.03,-15.74,;25.69,-16.5,;25.5,-17.88,;23.96,-17.23,;22.59,-17.86,;22.87,-16.46,;24.22,-15.86,;24.15,-14.21,;23.7,-15.32,)|

BDBM50417095

O=C(N[C@H]1CN2CCC1CC2)Nc1ccccc1 |r,wU:3.2,THB:2:3:6.7:10.9,(7.58,-28.23,;7.6,-26.69,;6.27,-25.9,;4.93,-26.65,;4.74,-28.04,;3.2,-27.38,;1.83,-28.02,;2.11,-26.62,;3.46,-26.01,;3.39,-24.37,;2.94,-25.48,;8.94,-25.94,;10.27,-26.73,;10.24,-28.27,;11.57,-29.06,;12.92,-28.3,;12.93,-26.75,;11.61,-25.97,)|

BDBM50417096

Brc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(27.89,-28.62,;26.56,-27.83,;25.22,-28.59,;23.89,-27.8,;23.92,-26.26,;22.59,-25.47,;21.25,-26.22,;21.23,-27.76,;19.92,-25.43,;18.58,-26.19,;18.38,-27.57,;16.85,-26.91,;15.48,-27.55,;15.76,-26.15,;17.11,-25.55,;17.04,-23.9,;16.59,-25.01,;25.25,-25.5,;26.58,-26.28,)|

BDBM50417097

N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:1.0,wD:8.10,TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(-1.74,-33.45,;-3.08,-34.2,;-4.55,-33.56,;-5.9,-34.17,;-6.18,-35.56,;-4.81,-34.93,;-5.07,-33.03,;-4.62,-31.92,;-3.28,-35.58,;-2.52,-36.92,;-3.3,-38.25,;-4.84,-38.23,;-5.62,-39.56,;-4.86,-40.9,;-3.31,-40.91,;-2.54,-39.58,)|

BDBM50417098

N[C@H]1CN2CCC1CC2 |r,wU:1.0,THB:0:1:4.5:8.7,(6.18,-36.2,;4.79,-36.98,;4.59,-38.42,;2.99,-37.74,;1.57,-38.4,;1.86,-36.95,;3.26,-36.32,;3.19,-34.61,;2.73,-35.76,)|

BDBM50119572

CN(C)CCc1cccnc1

BDBM50417101

O=C(Nc1ccccc1)OCCCc1cccnc1

BDBM50417102

Brc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(-.86,-29.32,;-2.18,-28.53,;-3.53,-29.28,;-4.85,-28.5,;-4.83,-26.95,;-6.15,-26.17,;-7.5,-26.92,;-7.52,-28.46,;-8.82,-26.13,;-10.17,-26.88,;-10.36,-28.26,;-11.91,-27.61,;-13.28,-28.24,;-13,-26.85,;-11.64,-26.24,;-11.71,-24.6,;-12.15,-25.71,;-3.49,-26.2,;-2.17,-26.98,)|

BDBM50417103

O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:1.0,wD:8.10,TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(-8.12,-33.73,;-9.46,-34.48,;-10.93,-33.84,;-12.29,-34.45,;-12.57,-35.84,;-11.19,-35.21,;-11.45,-33.31,;-11,-32.2,;-9.66,-35.86,;-8.9,-37.2,;-9.68,-38.53,;-11.22,-38.51,;-12.01,-39.83,;-11.25,-41.17,;-9.69,-41.18,;-8.92,-39.86,)|

BDBM50417104

c1cc(cnc1)CCN

BDBM50417099

Brc1ccc(NC(=O)OCCCc2cccnc2)cc1

BDBM50417105

Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 |r,wU:9.8,wD:16.18,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(27.75,3.41,;26.42,4.2,;25.08,3.44,;23.76,4.23,;23.78,5.77,;22.46,6.56,;21.11,5.81,;21.09,4.27,;19.79,6.6,;18.44,5.84,;16.97,6.48,;15.62,5.88,;15.35,4.48,;16.71,5.11,;16.46,7.02,;16.9,8.14,;18.25,4.46,;19.01,3.12,;18.23,1.79,;16.69,1.81,;15.91,.49,;16.66,-.85,;18.21,-.86,;18.99,.46,;25.12,6.53,;26.44,5.74,)|

BDBM50419272

CC(C)(C=C)c1[nH]c2cc(Br)ccc2c1CCN

BDBM50419274

CNCCc1c[nH]c2cc(Br)ccc12

BDBM50419275

CCCc1[nH]c2cc(Br)ccc2c1CCNC

BDBM50419278

CNCCc1c(CC=C)[nH]c2cc(Br)ccc12

BDBM50419270

CNCCc1c([nH]c2ccccc12)C(C)(C)C=C

BDBM50419271

CCC(C)(C)c1[nH]c2ccccc2c1CCNC

BDBM50419277

CCCc1[nH]c2ccccc2c1CCNC

BDBM50419273

CNCCc1c([nH]c2ccccc12)C(C)(C)C

BDBM50419269

CCC(C)(C)c1[nH]c2cc(Br)ccc2c1CCNC

BDBM50419276

CCC(C)c1[nH]c2ccccc2c1CCNC

BDBM50419730

O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1 |r|

BDBM50419731

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1 |r,THB:0:1:8.7.6:4.3|

BDBM50419732

O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |r,THB:11:10:4.3.9:7.6|

BDBM50419733

O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |r,THB:11:10:4.3.9:7.6|

BDBM50419734

OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1ccccc1 |r,THB:2:3:10.9.8:6.5|

BDBM50419735

C[N+]1(CC(O)c2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1 |r|

BDBM50419736

OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1cccc(O)c1 |r,THB:2:3:10.9.8:6.5|

BDBM50419737

OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1cc(O)cc(O)c1 |r,THB:2:3:10.9.8:6.5|

BDBM50419738

Oc1cccc(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)c2ccccc2)c1 |r,THB:7:8:15.14.13:11.10|

BDBM50419746

C(Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r,THB:0:8:15.14.13:11.10|

BDBM50419740

C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r|

BDBM50419753

OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1 |r,THB:2:3:10.9.8:6.5|

BDBM50419741

OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1cccc(O)c1 |r,THB:2:3:10.9.8:6.5|

BDBM50419742

C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1 |r|

BDBM50419743

OC(CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1)c1cc(O)cc(O)c1 |r,THB:2:3:10.9.8:6.5|

BDBM50419739

C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r|

BDBM50420612

Clc1ccc(cc1)-c1ccc(NC(=O)CCCCN2CCCCC2)cc1

BDBM50420613

Clc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1

BDBM50420614

Clc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1

BDBM50420615

Clc1ccc(cc1)-c1csc(NC(=O)CCCCN2CCCCC2)n1

BDBM50420604

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1

BDBM50420616

COc1cccc(c1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1

BDBM50420605

COc1ccccc1-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1

BDBM50420606

Fc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1

BDBM50420607

Brc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1

BDBM50420617

O=C(CCCCN1CCCCC1)Nc1cc(n[nH]1)-c1ccncc1

BDBM50420618

FC(F)(F)c1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1

BDBM50420619

O=C(CCCCN1CCCCC1)Nc1cc(n[nH]1)-c1ccco1

BDBM50420620

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCC(C)CC2)[nH]n1

BDBM50420608

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCOCC2)[nH]n1

BDBM50420621

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCNC(=O)C2)[nH]n1

BDBM50420622

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCC(CC2)C(N)=O)[nH]n1

BDBM50420609

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCCC2)[nH]n1

BDBM50420610

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCOCC2)[nH]n1

BDBM50420623

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCNCC2)[nH]n1

BDBM50420624

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCNC(=O)CC2)[nH]n1

BDBM50420625

COc1ccc(cc1)-c1n[nH]c(NC(=O)CCCCN2CCCN(CC2)C(C)=O)c1C

BDBM50420611

COc1ccc(cc1)-c1cc(NC(=O)C(C)CCCN2CCCN(CC2)C(C)=O)[nH]n1

BDBM50420626

COc1ccc(cc1)-c1c[nH]c(NC(=O)CCCCN2CCCN(CC2)C(C)=O)n1

BDBM50420627

COc1ccc(cc1)-c1n[nH]c(NC(=O)CCCCN2CCCCC2)c1C

BDBM50425040

C[C@H](CCOc1nc(C)cn1C)N(C)C |r|

BDBM50425043

C[C@H](CCOc1nc(Br)cn1C)N(C)C |r|

BDBM50425041

C[C@H](CCOc1nccn1C)N(C)C

BDBM50425042

C[C@H](CCOC(=O)N(C)C)N(C)C

BDBM50428320

C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(nc1)S(C)(=O)=O |r|

BDBM50428321

OC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(OC2CCC2)nc1 |r|

BDBM50428322

CCOc1ccc(cn1)[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1ccccc1 |r|

BDBM50428323

CC(C)Oc1ccc(cn1)[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1ccccc1 |r|

BDBM50428324

COc1ccc(cn1)[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 |r|

BDBM50428325

CC(C)Oc1ccc(cn1)[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 |r|

BDBM50428368

CC(=O)C1=CC[C@@H]2CC[C@H]1N2 |r,t:3|

BDBM50428369

CC(=O)C1=CCC[C@@H]2CC[C@H]1N2

BDBM50428370

CCC(C)C(=O)N[C@H]1CCN2CCC[C@H]12 |r|

BDBM50428371

CC(C)C(=O)N[C@@H]1CCN2CCCC[C@@H]12 |r|

BDBM50428372

CC(C)C(=O)N[C@H]1CCN2CCCC[C@@H]12 |r|

BDBM50430230

CC(CN(C)C)Cn1c2ccccc2c(cc1=O)-c1ccccc1

BDBM50430231

CC(CCn1c2ccccc2c(cc1=O)-c1ccccc1)N(C)C

BDBM50430232

CN(C)CCCn1c2ccccc2cc(C#N)c1=O

BDBM50430233

CN(C)CCCn1ccc(-c2ccccc2)c(C#N)c1=O

BDBM50430234

CN(C)CCCCn1c2ccccc2c(cc1=O)-c1ccccc1

BDBM50430235

CN(C)CCn1c2ccccc2c(cc1=O)-c1ccccc1

BDBM50430236

O=c1c(C#N)c(-c2ccccc2)c2ccccc2n1CCCN1CCCC1

BDBM50430237

CCN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O

BDBM50430238

CN(C)CCCn1c2ccccc2c(cc1=O)-c1ccccc1

BDBM50430239

Cc1ccccc1-c1cc(=O)n(CC2CCCNC2)c2ccccc12

BDBM50430240

COc1cccc(c1)-c1cc(=O)n(CC2CCCNC2)c2ccccc12

BDBM50430241

CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O

BDBM50430242

CNCCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O

BDBM50430243

O=c1c(C#N)c(-c2ccccc2)c2ccccc2n1CC1CCCNC1

BDBM50430244

O=c1cc(-c2ccccc2)c2ccccc2n1CC1CNCCO1

BDBM50430245

O=c1cc(-c2ccccc2)c2ccccc2n1CC1CCCNC1

BDBM50430246

O=c1cc(-c2ccccc2)c2ccccc2n1CC1CN2CCC1CC2 |(72.27,-24.15,;70.94,-23.38,;70.94,-21.83,;69.6,-21.04,;69.59,-19.51,;70.93,-18.74,;70.93,-17.21,;69.6,-16.44,;68.26,-17.21,;68.27,-18.75,;68.26,-21.82,;66.92,-21.06,;65.59,-21.83,;65.59,-23.37,;66.93,-24.14,;68.25,-23.38,;69.59,-24.15,;69.59,-25.69,;68.25,-26.46,;66.93,-25.68,;65.6,-26.43,;65.58,-27.97,;66.91,-28.75,;68.26,-27.99,;67.11,-26.42,;66.35,-27.76,)|

BDBM50430247

O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1CC1CCCNC1

BDBM50430248

CC(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CCCNC2)c2ccccc12

BDBM50430249

CS(=O)(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CCCNC2)c2ccccc12

BDBM50430250

CC(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CN3CCC2CC3)c2ccccc12 |(23.34,-47.59,;22,-46.82,;22,-45.28,;20.68,-47.59,;19.34,-46.82,;18.01,-47.59,;16.68,-46.82,;15.34,-47.59,;15.34,-49.13,;16.67,-49.89,;18.01,-49.13,;16.67,-51.42,;18.02,-52.21,;18.02,-53.76,;19.35,-54.54,;16.67,-54.53,;16.67,-56.07,;15.33,-56.84,;14,-56.06,;12.67,-56.82,;12.66,-58.36,;13.99,-59.14,;15.33,-58.37,;14.19,-56.81,;13.43,-58.14,;15.33,-53.76,;14,-54.53,;12.67,-53.75,;12.67,-52.21,;14,-51.44,;15.33,-52.2,)|

BDBM50430251

CS(=O)(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CN3CCC2CC3)c2ccccc12 |(12.11,-47.63,;10.77,-46.86,;9.99,-45.52,;11.54,-45.52,;9.44,-47.63,;8.11,-46.86,;6.77,-47.63,;5.44,-46.86,;4.1,-47.64,;4.11,-49.17,;5.44,-49.94,;6.77,-49.17,;5.44,-51.47,;6.79,-52.25,;6.78,-53.81,;8.11,-54.58,;5.44,-54.58,;5.43,-56.12,;4.1,-56.88,;2.77,-56.1,;1.44,-56.86,;1.43,-58.4,;2.76,-59.18,;4.1,-58.42,;2.95,-56.85,;2.19,-58.19,;4.1,-53.8,;2.77,-54.57,;1.43,-53.8,;1.44,-52.25,;2.76,-51.48,;4.1,-52.25,)|

BDBM50430252

O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1CC1CN2CCC1CC2 |(71.88,-38.9,;70.55,-38.12,;70.55,-36.57,;69.21,-35.78,;69.21,-34.25,;67.88,-33.49,;67.87,-31.95,;69.21,-31.17,;70.54,-31.94,;72,-31.47,;72.91,-32.71,;72.01,-33.96,;70.54,-33.48,;67.87,-36.56,;66.53,-35.8,;65.2,-36.57,;65.2,-38.11,;66.54,-38.88,;67.87,-38.12,;69.2,-38.89,;69.2,-40.43,;67.86,-41.2,;66.54,-40.42,;65.2,-41.18,;65.19,-42.72,;66.52,-43.5,;67.87,-42.73,;66.72,-41.17,;65.96,-42.5,)|

BDBM50430253

Cc1ccc(cc1)-c1cc(=O)n(CC2CCCNC2)c2ccccc12

BDBM50430254

CN1CCCC(Cn2c3ccccc3c(-c3ccccc3)c(C#N)c2=O)C1

BDBM50433470

FCCn1ccc2ccc(cc12)-c1nnc(o1)N1CCN2CCC1CC2 |(20.47,-8.19,;19.69,-9.52,;18.15,-9.5,;17.39,-8.17,;18.31,-6.92,;17.41,-5.67,;15.94,-6.14,;14.6,-5.37,;13.27,-6.14,;13.27,-7.67,;14.6,-8.44,;15.93,-7.68,;11.94,-8.44,;11.46,-9.91,;9.92,-9.91,;9.44,-8.44,;10.69,-7.53,;7.97,-7.96,;7.76,-6.43,;6.44,-5.64,;4.99,-6.19,;4.52,-7.65,;5.37,-8.93,;6.91,-9.07,;5.9,-8.06,;6.43,-7.06,)|

BDBM50433471

Fc1ccc(cc1)-c1nnc(o1)N1CCN2CCC1CC2 |(37.92,-5.9,;36.59,-6.67,;35.24,-5.9,;33.91,-6.67,;33.92,-8.2,;35.25,-8.98,;36.58,-8.22,;32.58,-8.97,;32.1,-10.44,;30.56,-10.44,;30.07,-8.97,;31.33,-8.06,;28.61,-8.49,;28.4,-6.96,;27.07,-6.17,;25.63,-6.72,;25.15,-8.19,;26.01,-9.47,;27.55,-9.6,;26.54,-8.59,;27.07,-7.59,)|

BDBM50433565

CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)nc1 |r|

BDBM50433566

CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1 |r|

BDBM50433567

CN1CCC[C@H]1COC(=O)c1cnc2ccccc2c1 |r|

BDBM50433568

CN1CCC[C@H]1COC(=O)c1ccc(Cl)nc1 |r|

BDBM50433569

CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1 |r|

BDBM50433570

CN1CCC[C@H]1COC(=O)c1ccc(Br)cc1 |r|

BDBM50433571

CN1CCC[C@H]1COC(=O)c1cccc(c1)[N+]([O-])=O |r|

BDBM50433572

CN1CCC[C@H]1COC(=O)c1ccccc1 |r|

BDBM81975

c1ccc2c(c1)c(cc(n2)C(=O)O)O

BDBM50436919

C1CCC(=NC1)c1cncc(c1)-c1ccccc1 |c:3|

BDBM50437475

C[C@H]1C[C@@H]1C(=O)N1CC2CNCC2C1 |r|

BDBM50437497

CNC(=O)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r|

BDBM50437498

O=C([C@@H]1C[C@H]2CNC[C@H](C2)C1)c1ccco1 |r|

BDBM50437489

F[C@H]1C[C@H]1C(=O)N1CC2CNCC2C1 |r|

BDBM50437470

C[C@H]1C[C@H]1C(=O)N1CC2CNCC2C1 |r|

BDBM50437488

CCC(=O)N1CC2CNCC2C1

BDBM50437485

O=C([C@@H]1C[C@@H]2CNC[C@@H]2C1)c1ccco1 |r|

BDBM50437484

CC(=O)N1CC2CNCC(C2)C1

BDBM50437494

F[C@H]1C[C@@H]1C(=O)N1CC2CNCC2C1 |r|

BDBM50437480

C[C@@H]1C[C@H]1C(=O)N1CC2CNCC2C1 |r|

BDBM50437493

CCC(=O)N1CC2CNCC(C2)C1

BDBM50437487

F[C@@H]1C[C@@H]1C(=O)N1CC2CNCC2C1 |r|

BDBM50437483

F[C@H]1C[C@@H]1C(=O)N1CC2CNCC(C2)C1 |r|

BDBM50437481

C[C@@H]1C[C@@H]1C(=O)N1CC2CNCC2C1 |r|

BDBM50437472

C[C@H]1C[C@@H]1C(=O)N1CC2CNCC(C2)C1 |r|

BDBM50437482

F[C@H]1C[C@H]1C(=O)N1CC2CNCC(C2)C1 |r|

BDBM50437496

O=C(C1CC1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r|

BDBM50437499

C[C@H]1C[C@H]1C(=O)N1CC2CNCC(C2)C1 |r|

BDBM50437473

F[C@@H]1C[C@@H]1C(=O)N1CC2CNCC(C2)C1 |r|

BDBM50437471

C[C@@H]1C[C@H]1C(=O)N1CC2CNCC(C2)C1 |r|

BDBM50437491

F[C@@H]1C[C@H]1C(=O)N1CC2CNCC(C2)C1 |r|

BDBM50437479

C[C@@H]1C[C@@H]1C(=O)N1CC2CNCC(C2)C1 |r|

BDBM50437490

COC(=O)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r|

BDBM50437492

CC(C)NC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1 |r|

BDBM50437486

CCCNC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1 |r|

BDBM50437495

F[C@@H]1C[C@H]1C(=O)N1CC2CNCC2C1 |r|

BDBM50441939

CCNc1ncc(cc1C(=O)c1ccc(F)c(F)c1)-c1ccc(OCC)cc1

BDBM50441940

CCOc1ccc(cc1)-c1cnc(NC)c(c1)C(=O)c1ccc(F)c(F)c1

BDBM50441941

CCCNc1ncc(cc1C(=O)c1ccc(F)cc1)-c1ccc(F)cc1

BDBM50441942

CCCNc1ncc(cc1C(=O)c1ccc(F)cc1)-c1ccc(Oc2ccccc2)cc1

BDBM50441943

CCCNc1ncc(cc1C(=O)c1ccccc1)-c1ccc(OCC)cc1

BDBM50441944

CCCNc1ncc(cc1C(=O)c1cc(F)ccc1F)-c1ccc(OCC)cc1

BDBM50441945

CCCNc1ncc(cc1C(=O)c1ccc(F)c(F)c1)-c1ccc(OCC)cc1

BDBM50441946

CCCNc1ncc(cc1C(=O)c1cccc(F)c1)-c1ccc(OCC)cc1

BDBM50441947

CCCNc1ncc(cc1C(=O)c1ccc(F)cc1)-c1ccc(OCC)cc1

BDBM50441948

CCCNc1ncc(cc1C(=O)c1ccc(Cl)cc1)-c1ccc(OCC)cc1

BDBM50441949

CCNc1ncc(cc1C(=O)c1ccc(Cl)cc1)-c1ccc(OCC)cc1

BDBM50441950

CCOc1ccc(cc1)-c1cnc(NC)c(c1)C(=O)c1ccc(Cl)cc1

BDBM50441951

CCOc1ccc(cc1)-c1cnc(NC)c(c1)C(=O)c1ccc(F)cc1

BDBM50441952

CCOc1ccc(cc1)-c1cnc(N)c(c1)C(=O)c1ccc(Cl)cc1

BDBM50443009

c1cc(ccc1[C@@H]2[C@@H]3CC=C[C@@H]3c4cc(ccc4N2)S(=O)(=O)N)Br

BDBM50443768

CN1C[C@@H]2C[C@H](C1)C1CCCC(=O)N1C2 |r,TLB:8:7:4:2.6.1,THB:11:13:4:2.6.1,0:1:4:14.13.7|

BDBM50443769

O=C1CCCC2[C@H]3CNC[C@H](C3)CN12 |r,TLB:1:13:11:9.7.8,THB:4:5:11:9.7.8|

BDBM50445327

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|

BDBM50445328

[#7]-[#6]-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-3-[#6]-[#6]-[#6]-[#7]-3-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O)-[#7]-[#6]-1=O |r|

BDBM50006617

[18F]c1ccccc1-c1cnc2OC3(Cc2c1)CN1CCC3CC1 |TLB:13:12:18.19:22.21,THB:11:12:18.19:22.21,(37.37,-32.12,;38.71,-31.35,;40.04,-32.13,;41.39,-31.36,;41.38,-29.82,;40.06,-29.05,;38.72,-29.81,;37.39,-29.04,;37.4,-27.5,;36.07,-26.73,;34.72,-27.49,;33.25,-27.02,;32.35,-28.27,;33.26,-29.52,;34.73,-29.04,;36.06,-29.8,;32,-29.62,;30.55,-28.8,;29.11,-29.28,;29.55,-27.92,;30.96,-27.47,;31.07,-25.83,;30.5,-26.88,)|

BDBM50006618

Fc1ccc2-c3ccc(cc3S(=O)(=O)c2c1)N1CCN2CCC1CC2 |(13.82,-9.04,;15.35,-8.88,;16.26,-10.11,;17.79,-9.95,;18.42,-8.54,;19.88,-8.06,;21.21,-8.84,;22.55,-8.07,;22.56,-6.52,;21.21,-5.75,;19.89,-6.52,;18.42,-6.05,;18.74,-4.54,;17.27,-5.02,;17.52,-7.3,;15.98,-7.46,;23.89,-5.75,;25.09,-6.71,;26.59,-6.36,;27.26,-4.99,;26.59,-3.59,;25.09,-3.25,;23.89,-4.2,;25.18,-4.23,;25.82,-5.8,)|

BDBM50006614

Fc1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(29.18,-11.93,;29.8,-10.52,;28.89,-9.28,;29.53,-7.87,;31.06,-7.71,;31.96,-8.94,;31.33,-10.35,;33.42,-8.47,;34.76,-9.24,;36.09,-8.47,;36.1,-6.93,;34.75,-6.15,;33.43,-6.93,;31.96,-6.45,;32.28,-4.94,;30.81,-5.42,;37.43,-6.15,;38.63,-7.11,;40.13,-6.77,;40.8,-5.39,;40.13,-3.99,;38.63,-3.65,;37.43,-4.6,;38.72,-4.63,;39.36,-6.21,)|

BDBM50006615

Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)|

BDBM50006616

Fc1ccc(N2CCN3CCC2CC3)c2-c3ccccc3S(=O)(=O)c12 |(8.37,-3.33,;8.37,-4.88,;9.72,-5.65,;9.71,-7.19,;8.37,-7.96,;8.37,-9.51,;7.02,-10.23,;6.74,-11.75,;7.75,-12.9,;9.3,-12.84,;10.2,-11.6,;9.8,-10.12,;9.26,-11.29,;7.57,-11.26,;7.04,-7.19,;5.58,-7.67,;4.95,-9.07,;3.42,-9.24,;2.51,-8,;3.14,-6.59,;4.68,-6.43,;5.58,-5.18,;5.9,-3.67,;4.43,-4.15,;7.05,-5.65,)|

BDBM50006619

[O-][N+](=O)c1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(.96,-17,;.33,-18.41,;-1.2,-18.56,;1.24,-19.66,;.6,-21.08,;1.51,-22.31,;3.04,-22.15,;3.67,-20.74,;5.13,-20.26,;6.47,-21.04,;7.8,-20.27,;7.81,-18.72,;6.47,-17.95,;5.14,-18.72,;3.67,-18.25,;3.99,-16.74,;2.53,-17.22,;2.77,-19.5,;9.14,-17.95,;10.34,-18.91,;11.84,-18.57,;12.51,-17.19,;11.84,-15.79,;10.35,-15.45,;9.15,-16.4,;10.43,-16.43,;11.07,-18,)|

BDBM50006620

[O-][N+](=O)c1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(14.59,-21.21,;14.42,-19.68,;13.01,-19.06,;15.66,-18.77,;15.5,-17.25,;16.75,-16.34,;18.16,-16.97,;18.33,-18.49,;17.07,-19.39,;19.83,-18.8,;20.6,-20.15,;22.14,-20.14,;22.92,-18.81,;22.14,-17.47,;20.6,-17.47,;19.57,-16.33,;20.6,-15.19,;19.09,-14.87,;24.46,-18.81,;25.02,-20.24,;26.49,-20.69,;27.75,-19.83,;27.88,-18.29,;26.75,-17.24,;25.24,-17.47,;26.34,-18.14,;26.1,-19.82,)|

BDBM50006621

Ic1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(29.41,-16.94,;30.31,-18.18,;29.68,-19.6,;30.58,-20.84,;32.11,-20.67,;32.75,-19.26,;34.21,-18.78,;35.54,-19.56,;36.88,-18.79,;36.88,-17.24,;35.54,-16.47,;34.21,-17.24,;32.75,-16.77,;33.07,-15.26,;31.6,-15.74,;31.84,-18.02,;38.22,-16.47,;39.42,-17.43,;40.92,-17.09,;41.58,-15.71,;40.92,-14.31,;39.42,-13.97,;38.22,-14.92,;39.51,-14.95,;40.15,-16.52,)|

BDBM50006612

Ic1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(44.32,-23.01,;44.94,-21.6,;44.03,-20.36,;44.67,-18.95,;46.2,-18.79,;47.11,-20.02,;46.47,-21.43,;48.56,-19.55,;49.9,-20.32,;51.24,-19.55,;51.24,-18.01,;49.9,-17.23,;48.57,-18.01,;47.11,-17.53,;47.42,-16.02,;45.96,-16.51,;52.58,-17.23,;53.78,-18.19,;55.28,-17.85,;55.94,-16.47,;55.28,-15.07,;53.78,-14.73,;52.58,-15.68,;53.87,-15.71,;54.51,-17.29,)|

BDBM50006622

[11CH3]n1cccc1-c1nnc(o1)N1CCN2CCC1CC2 |(3.24,-32.62,;2.93,-31.12,;1.52,-30.49,;1.68,-28.96,;3.19,-28.64,;3.97,-29.97,;5.5,-30.13,;6.27,-31.47,;7.78,-31.15,;7.94,-29.61,;6.53,-28.99,;9.27,-28.84,;10.47,-29.8,;11.97,-29.46,;12.63,-28.08,;11.97,-26.68,;10.47,-26.34,;9.28,-27.29,;10.56,-27.32,;11.2,-28.89,)|

BDBM50006623

[125I]c1occc1-c1cnc2OC3(Cc2c1)CN1CCC3CC1 |THB:10:11:17.18:21.20,(24.42,-38.08,;25.07,-36.69,;26.58,-36.39,;26.77,-34.87,;25.38,-34.21,;24.33,-35.34,;22.79,-35.15,;22.19,-33.73,;20.67,-33.54,;19.75,-34.77,;18.21,-34.9,;17.87,-36.4,;19.18,-37.19,;20.34,-36.18,;21.87,-36.38,;17.52,-37.76,;16.05,-36.93,;14.61,-37.42,;15.04,-36.05,;16.46,-35.6,;16.58,-33.94,;16.01,-35,)|

BDBM50006624

[11CH3]N1CC2CN(CC2C1)c1ccc(nn1)-c1ccccc1

BDBM50006625

[11CH3]Nc1cccc(c1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:11.11,THB:10:11:14.15:18.17,(30.79,-41.28,;32.13,-42.04,;32.14,-43.58,;33.48,-44.35,;33.49,-45.89,;32.16,-46.66,;30.83,-45.89,;30.81,-44.36,;29.5,-46.67,;29.5,-48.21,;28.16,-45.9,;26.74,-46.5,;26.39,-47.85,;24.94,-47.03,;23.5,-47.51,;23.93,-46.15,;25.35,-45.7,;25.46,-44.06,;24.89,-45.11,)|

BDBM50006647

CO[C@@H]1C[C@]23N(CC=C2C=C1)CCc1cc(O)c(OC)cc31 |r,c:7,10|

BDBM50241748

CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |r,t:4,11|

BDBM50016178

C(Oc1cccnc1)C1CNCCN1c1nc2ccccc2o1

BDBM50016179

Cl.COc1ccc2nc(oc2c1)N1CCNCC1COc1cccnc1

BDBM50016180

Cl.COc1ccc2oc(nc2c1)N1CCNCC1COc1cccnc1

BDBM50016181

Cl.Brc1ccc2oc(nc2c1)N1CCNCC1COc1cccnc1

BDBM50016182

Cl.Brc1ccc2oc(nc2c1)N1CCNC[C@@H]1COc1cccnc1 |r|

BDBM50016183

Cl.Brc1ccc2oc(nc2c1)N1CCNC[C@H]1COc1cccnc1 |r|

BDBM50016184

Cl.C(Oc1cccnc1)C1CNCCN1c1nc2ncccc2o1

BDBM50016185

Cl.C(Oc1cccnc1)[C@H]1CNCCN1c1nc2ncccc2o1 |r|

BDBM50016186

Cl.C(Oc1cccnc1)[C@@H]1CNCCN1c1nc2ncccc2o1 |r|

BDBM50016187

C(Oc1cccnc1)C1CNCCN1c1nc2ccccc2s1

BDBM50016188

Cl.COc1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1

BDBM50016189

Cl.COc1ccc2nc(sc2c1)N1CCNC[C@@H]1COc1cccnc1 |r|

BDBM50016190

Cl.COc1ccc2nc(sc2c1)N1CCNC[C@H]1COc1cccnc1 |r|

BDBM50016191

Cl.COc1ccc2sc(nc2c1)N1CCNCC1COc1cccnc1

BDBM50016192

Cl.Cc1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1

BDBM50016193

Clc1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1

BDBM50016194

Cl.FC(F)(F)Oc1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1

BDBM50016195

Cl.FC(F)(F)c1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1

BDBM50016196

Cl.Fc1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1

BDBM50016197

Cl.Fc1cccc2sc(nc12)N1CCNCC1COc1cccnc1

BDBM50016198

Cl.Fc1cc(F)c2nc(sc2c1)N1CCNCC1COc1cccnc1

BDBM50016199

Cl.C(Oc1cccnc1)C1CNCCN1c1nc2ncccc2s1

BDBM50016200

Cl.Clc1cnc2nc(sc2c1)N1CCNCC1COc1cccnc1

BDBM50016201

Cl.O=C(N1CCNCC1COc1cccnc1)c1ccccc1

BDBM50016202

Cl.Clc1ccc(cc1)C(=O)N1CCNCC1COc1cccnc1

BDBM50016203

Cl.O=C(Cc1ccccc1)N1CCNCC1COc1cccnc1

BDBM50016204

Cl.Clc1ccc(CC(=O)N2CCNCC2COc2cccnc2)cc1

BDBM50016205

O=C(COc1ccccc1)N1CCNCC1COc1cccnc1

BDBM50016206

Cl.O=C(Nc1ccccc1)N1CCNCC1COc1cccnc1

BDBM50016207

Cl.Clc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1

BDBM50016208

Cl.O=C(Oc1ccccc1)N1CCNCC1COc1cccnc1

BDBM50016209

Cl.Clc1ccc(OC(=O)N2CCNCC2COc2cccnc2)cc1

BDBM50016210

Cl.COc1ccc(OC(=O)N2CCNCC2COc2cccnc2)cc1

BDBM50016211

Cl.Clc1cccc(NC(=O)N2CCNCC2COc2cccnc2)c1

BDBM50016212

Cl.Clc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl

BDBM50016213

Cl.Cc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1

BDBM50016214

Cl.FC(F)(F)c1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1

BDBM50016215

Cl.CC(C)c1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1

BDBM50016216

Cl.COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1

BDBM50016217

Cl.COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1 |r|

BDBM50016218

Cl.COc1ccc(NC(=O)N2CCNC[C@H]2COc2cccnc2)cc1 |r|

BDBM50016219

Cl.COc1cccc(NC(=O)N2CCNCC2COc2cccnc2)c1

BDBM50016220

Cl.COc1ccccc1NC(=O)N1CCNCC1COc1cccnc1

BDBM50016221

Cl.COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)c(OC)c1

BDBM50016222

Cl.COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl

BDBM50016223

Cl.FC(F)(F)Oc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1

BDBM50016224

Cl.Brc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1

BDBM50016225

Cl.Cc1cc(NC(=O)N2CCNCC2COc2cccnc2)ccc1Br

BDBM50016226

Cl.Fc1cc(Br)ccc1NC(=O)N1CCNCC1COc1cccnc1

BDBM50016227

Cl.O=C(Nc1ccc(cc1)-c1ccccc1)N1CCNCC1COc1cccnc1

BDBM50016228

Cl.O=C(Nc1ccc(cc1)C(=O)c1ccccc1)N1CCNCC1COc1cccnc1

BDBM50016229

Cl.O=C(Nc1ccc2OCCc2c1)N1CCNCC1COc1cccnc1

BDBM50019144

CCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 |r|

BDBM50019145

CCCCC#Cc1cncc(OC[C@H]2CCN2)c1 |r|

BDBM50019146

CCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1 |r|

BDBM50019147

CCCCC#Cc1cncc(OC[C@H]2CCCN2)c1 |r|

BDBM50019148

OCCCCc1cn(nn1)-c1cncc(OC[C@@H]2CCN2)c1 |r|

BDBM50019149

[N-]=[N+]=NCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 |r|

BDBM50019150

C(Oc1cncc(c1)-c1nnn2CCCCc12)[C@@H]1CCN1 |r|

BDBM50020311

[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1ccc(Cl)cc1)N2C |r|

BDBM50020312

[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cccs1)N2C |r|

BDBM50020313

[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1ccc(Br)s1)N2C |r|

BDBM50020314

[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1ccc3sccc3c1)N2C |r|

BDBM50020315

[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1ccc3occc3c1)N2C |r|

BDBM50020316

[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1ccc(s1)-c1cccs1)N2C |r|

BDBM50020317

[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1ccc(s1)-c1ccco1)N2C |r|

BDBM50025040

CC[C@@H]7C[N+]9(Cc1ccc([N+](=O)[O-])cc1)CC[C@@]8%11c2ccccc2N%10/C=C\%12C5CC3[C@@]%13(CC[N+]3(Cc4ccc([N+](=O)[O-])cc4)C[C@H]5CC)c6ccccc6N(/C=C([C@H]7C[C@@H]89)\[C@H]%10%11)[C@@H]%12%13

BDBM50025028

CC[C@@H]5C[N+]7(C)CC[C@@]69c1ccccc1N8/C=C\%10C3CC2[C@@]%11(CC[N+]2(C)C[C@H]3CC)c4ccccc4N(/C=C([C@H]5C[C@@H]67)\[C@H]89)[C@@H]%10%11

BDBM50025029

[H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:23,t:28|

BDBM50025030

CC[C@@H]7C[N+]9(Cc1ccc([N+](=O)[O-])cc1)CC[C@@]8%11c2ccccc2N%10/C=C\%12C5CC3[C@@]%13(CC[N+]3(Cc4ccc([N+](=O)[O-])cc4)C[C@H]5CCO)c6ccccc6N(/C=C([C@H]7C[C@@H]89)\[C@H]%10%11)[C@@H]%12%13

BDBM50025031

C=CC[N+]67CC[C@@]59c1ccccc1N8/C=C\%10C3CC2[C@@]%11(CC[N+]2(CC=C)C[C@H]3CCO)c4ccccc4N(/C=C([C@@H](C[C@@H]56)[C@H](CC)C7)\[C@H]89)[C@@H]%10%11

BDBM50025032

CC[C@@H]5C[N+]7(C)CC[C@@]69c1ccccc1N8/C=C\%10C3CC2[C@@]%11(CC[N+]2(C)C[C@H]3CCO)c4ccccc4N(/C=C([C@H]5C[C@@H]67)\[C@H]89)[C@@H]%10%11

BDBM50025033

[H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:23,t:28|

BDBM50027472

Oc1ccc(\C=C\C(=O)c2cc(O)ccc2O)cc1

BDBM50027474

Oc1ccc(\C=C\C(=O)c2cc(O)ccc2O)c(O)c1

BDBM50027475

Oc1ccc(C(=O)\C=C\c2ccccc2O)c(O)c1

BDBM50027481

Oc1ccc(O)c(c1)C(=O)\C=C\c1ccccc1O

BDBM50042944

c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O

BDBM50027482

Oc1ccc(\C=C\C(=O)c2ccccc2O)c(O)c1

BDBM50027483

Oc1cccc(c1)C(=O)\C=C\c1ccc(O)cc1O

BDBM50027484

Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1O

BDBM50027485

Oc1cc(O)c(cc1O)C(=O)\C=C\c1ccccc1O

BDBM50042993

Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2O)cc1

BDBM50027486

Oc1ccc(\C=C\C(=O)c2cc(O)c(O)cc2O)c(O)c1

BDBM50027487

Oc1cccc(c1)C(=O)\C=C/c1ccc(O)cc1O

BDBM50027488

Oc1ccc(\C=C/C(=O)c2cc(O)ccc2O)c(O)c1

BDBM50027489

COc1ccc(\C=C\C(=O)c2ccc(O)cc2C)c(OC)c1OC

BDBM50027490

COc1cc(\C=C\C(=O)c2cc(O)ccc2O)ccc1O

BDBM50027491

COc1ccc(\C=C\C(=O)c2cc(O)ccc2O)c(OC)c1

BDBM50027492

COc1cc(O)c(\C=C\C(=O)c2cc(O)ccc2O)c(OC)c1

BDBM50027493

Oc1ccc(O)c(c1)C(=O)\C=C\c1c[nH]c2ccc(O)cc12

BDBM50032827

[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]1([H])C\C=C\C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,t:26|

BDBM50032929

OC(=O)C(F)(F)F.[H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)[C@H]1C[C@@H]1CCOCC |r|

BDBM50045045

[H][C@]12C[C@]([H])(CNC1)c1cc(ccc21)C(F)(F)F |r|

BDBM50045044

Clc1cncc(c1)N1CCCNCC1

BDBM50045047

[H][C@]12CC[C@]([H])(C1)[C@](C)(NC)C2(C)C |r|

BDBM50050761

O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1ccccc1

BDBM50050762

O=C(NCCCCN1CCOCC1)c1ccc(cc1)-c1cccnc1

BDBM50050763

O=C(NCCCCN1CCOCC1)c1ccc(cc1)-c1ccccc1

BDBM50050764

C(CCc1nnnn1-c1ccc(cc1)-c1cccnc1)CN1CCOCC1

BDBM50050765

C(CCc1nnnn1-c1ccc(cc1)-c1ccccc1)CN1CCOCC1

BDBM50050766

C(CCn1nnnc1-c1ccc(cc1)-c1cccnc1)CN1CCOCC1

BDBM50050767

C(CCn1nnnc1-c1ccc(cc1)-c1ccccc1)CN1CCOCC1

BDBM50082080

O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1ccncc1

BDBM50082081

Fc1ncccc1-c1ccc(NC(=O)CCCCN2CCOCC2)cc1

BDBM50082082

O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1ccc2[nH]ccc2c1

BDBM50082083

[H][C@]12CN(c3ccc(cc3)-c3cccnc3)[C@]([H])(CN1C)C2 |r|

BDBM50082084

[H][C@]12CN(c3ccc(cc3)-c3ccccc3)[C@]([H])(CN1C)C2 |r|

BDBM50082085

O=C(CCCCN1CCCCC1)Nc1ccc(cc1)-c1ccccc1

BDBM50082086

CN1CCN(CCCCC(=O)Nc2ccc(cc2)-c2ccccc2)CC1

BDBM50082087

[H][C@]12CN(CCCCC(=O)Nc3ccc(cc3)-c3cccnc3)[C@]([H])(CN1C)C2 |r|

BDBM50082088

[H][C@]12CN(CCCCC(=O)Nc3ccc(cc3)-c3ccccc3)[C@]([H])(CN1C)C2 |r|

BDBM50082089

O=C(CCCCN1CC2(COC2)C1)Nc1ccc(cc1)-c1cccnc1

BDBM50082090

O=C(CCCCN1CC2(COC2)C1)Nc1ccc(cc1)-c1ccccc1

BDBM50082091

O=C(NCCCCN1CCCCC1)c1ccc(cc1)-c1cccnc1

BDBM50082092

O=C(NCCCCN1CCCCC1)c1ccc(cc1)-c1ccccc1

BDBM50082093

CN1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccnc2)CC1

BDBM50082094

CN1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1

BDBM50082095

[H][C@]12CN(CCCCNC(=O)c3ccc(cc3)-c3cccnc3)[C@]([H])(CN1C)C2 |r|

BDBM50082096

[H][C@]12CN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3)[C@]([H])(CN1C)C2 |r|

BDBM50082097

O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1ccccn1

BDBM50082098

O=C(CCCCN1CCOCC1)Nc1ccc(nn1)-c1ccccc1

BDBM50082099

O=C(CCCCN1CCOCC1)Nc1cc([nH]n1)-c1ccccc1

BDBM50082100

O=C(CCCCN1CCCCC1)Nc1cc([nH]n1)-c1ccccc1

BDBM50082101

CN1CCN(CCCCC(=O)Nc2cc([nH]n2)-c2ccccc2)CC1

BDBM50082102

C1CN(CCO1)c1ccc(nn1)-c1ccccc1

BDBM50082103

C1CCN(CC1)c1ccc(nn1)-c1ccccc1

BDBM50062447

CN1CCN(CC1)c1ccc(nn1)-c1ccccc1

BDBM50082104

C1CN(CCO1)c1ccc(nn1)-c1ccc2[nH]ccc2c1

BDBM50082105

C1CN(CCO1)c1ccc(cc1)-c1cccnc1

BDBM50082106

C1CN(CCO1)c1ccc(cc1)-c1ccccc1

BDBM50082107

C1CCN(CC1)c1ccc(cc1)-c1cccnc1

BDBM50082108

C1CCN(CC1)c1ccc(cc1)-c1ccccc1

BDBM50082109

CN1CCN(CC1)c1ccc(cc1)-c1cccnc1

BDBM50082110

CN1CCN(CC1)c1ccc(cc1)-c1ccccc1

BDBM50089637

C1CC2N(C1)CCc1ccncc21

BDBM50089638

[H][C@]12CCCN1CCc1ccncc21 |r|

BDBM50089639

[H][C@@]12CCCN1CCc1ccncc21 |r|

BDBM50098445

CN(C)CCOc1cncc(c1)N1CCNCC1

BDBM50096273

CN(C)CCOc1cncc(c1)N1CCCNCC1

BDBM50422013

CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1

BDBM50096272

CN(C)CCOc1cc(cc(F)c1F)N1CC2CNCC(C2)C1 |TLB:8:14:17.18.19:21|

BDBM50098469

CN(C)CCOc1cncc(c1)N1CCC(O)CC1

BDBM50098542

CN(C)CCOc1cncc(c1)N1CCC1

BDBM50098539

CN(C)CCOc1cncc(c1)N1CCCCC1

BDBM50098541

CN(C)CCOc1cncc(c1)N1CCCC1

BDBM50096269

CN(C)CCOc1cncc(c1)-c1cncc(OCCN(C)C)c1

BDBM50096271

CN(C)CCOc1cc(F)cc(c1)N1CC2CNCC(C2)C1 |TLB:11:13:16.17.18:20|

BDBM50096270

CN(C)CCOc1cncc(c1)N1CC2CNCC(C2)C1 |TLB:10:12:15.16.17:19|

BDBM50098558

CN(C)CCOc1cncc(c1)N1CCN(C)CC1

BDBM50096268

CN1CCCN(CC1)c1cccnc1

BDBM50106921

Fc1ccccc1C(=O)NC1CN2CCC1CC2 |(-2.93,-3.59,;-2.92,-2.36,;-4.24,-1.57,;-4.22,-.03,;-2.88,.72,;-1.56,-.06,;-1.57,-1.6,;-.25,-2.38,;-.26,-3.62,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|

BDBM50106923

[Cl-].Fc1ccccc1C(=O)N[C@H]1C[N+]2(CCl)CCC1CC2 |r,wD:11.10,(9.24,-1.7,;2.81,-5.13,;1.58,-5.13,;.8,-6.45,;-.74,-6.44,;-1.5,-5.11,;-.72,-3.78,;.82,-3.79,;1.6,-2.46,;2.83,-2.46,;.83,-1.12,;1.61,.22,;3.27,.22,;4.09,1.64,;5.54,1.18,;6.45,2.02,;3.27,3.05,;1.61,3.05,;.82,1.64,;1.81,2.48,;3.07,2.48,)|

BDBM50106924

[Cl-].Fc1ccccc1C(=O)N[C@@H]1C[N+]2(CCl)CCC1CC2 |r,wU:11.10,(9.24,-1.7,;2.81,-5.13,;1.58,-5.13,;.8,-6.45,;-.74,-6.44,;-1.5,-5.11,;-.72,-3.78,;.82,-3.79,;1.6,-2.46,;2.83,-2.46,;.83,-1.12,;1.61,.22,;3.27,.22,;4.09,1.64,;5.54,1.18,;6.45,2.02,;3.27,3.05,;1.61,3.05,;.82,1.64,;1.81,2.48,;3.07,2.48,)|

BDBM50000492

COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|

BDBM50106925

[I-].COc1ccc(CC2C[N+]3(C)CCC2CC3)cc1 |(8.14,-1.71,;5.13,-6.47,;3.9,-6.46,;3.13,-5.13,;1.59,-5.12,;.82,-3.79,;1.6,-2.46,;.83,-1.12,;1.61,.22,;3.27,.22,;4.09,1.64,;5.27,1.27,;3.27,3.05,;1.61,3.05,;.82,1.64,;1.81,2.48,;3.07,2.48,;3.14,-2.46,;3.9,-3.8,)|

BDBM50114004

[H][C@]1(CCCN1C)[C@@H](C)Oc1cccnc1 |r|

BDBM50114003

[H][C@]1(CCCN1C)[C@H](C)Oc1cccnc1 |r|

BDBM50114006

CN1CCC[C@H]1COc1cccc(O)c1 |r|

BDBM50114005

Oc1cccc(OC[C@@H]2CCCN2)c1 |r|

BDBM50114008

CN1CC[C@H]1COc1cccc(O)c1 |r|

BDBM50114007

Oc1cccc(OC[C@@H]2CCN2)c1 |r|

BDBM50114000

CN1CCC[C@H]1COc1cncc(O)c1 |r|

BDBM50113999

Oc1cncc(OC[C@@H]2CCCN2)c1 |r|

BDBM50114014

[H][C@]1(CCCN1C)[C@@H](C)Oc1ccccc1 |r|

BDBM50114016

CC(Oc1ccccc1)C1CCCN1C

BDBM50114015

COc1ccc(O)cc1OC[C@@H]1CCCN1C |r|

BDBM50113482

[H][C@]1(CCCN1C)[C@@H](C)Oc1cccc(O)c1 |r|

BDBM50114019

[H][C@]1(CCCN1C)[C@H](C)Oc1cccc(O)c1 |r|

BDBM50114011

COc1ccncc1OC[C@@H]1CCCN1C |r|

BDBM50114013

COc1ccncc1OC[C@@H]1CCCN1 |r|

BDBM50116197

CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1

BDBM50116199

CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1

BDBM50116299

CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1

BDBM50116300

CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1

BDBM50116301

CCCCC[n+]1cccc(c1)[C@@H]1CCCN1C

BDBM50116302

CCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C

BDBM50143302

CCCCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C

BDBM50061652

CCCNCC1CCc2ccc(O)cc2O1

BDBM50061679

CCCCCCNCC1CCc2ccc(O)cc2O1

BDBM50116625

[H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccncc1 |r|

BDBM50116626

[H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccnc(F)c1 |r|

BDBM50116627

[H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccnc(Cl)c1 |r|

BDBM50116628

[H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccnc(OC)c1 |r|

BDBM50116660

[H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1cccnc1 |r|

BDBM50116662

[H][C@]12CC[C@@]([H])(N1)[C@]([H])(C2)c1cncc(c1)-c1ccc(F)nc1 |THB:10:7:2.3:6|

BDBM50116663

[H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccc(Cl)nc1 |r|

BDBM50116664

[H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccc(OC)nc1 |r|

BDBM50127648

Clc1cncc(c1)N1CC2CC(C1)N2

BDBM50127655

Brc1cncc(c1)N1CC2CC(C1)N2

BDBM50127656

C1C2CN(CC1N2)c1cncc(c1)-c1ccccc1

BDBM50127657

Clc1ccc(cc1)-c1cncc(c1)N1CC2CC(C1)N2

BDBM50127658

Fc1ccc(cc1)-c1cncc(c1)N1CC2CC(C1)N2

BDBM50127659

Brc1ccc(cc1)-c1cncc(c1)N1CC2CC(C1)N2

BDBM50127660

Clc1ccc(c(Cl)c1)-c1cncc(c1)N1CC2CC(C1)N2

BDBM50127661

Clc1ccc(cc1Cl)-c1cncc(c1)N1CC2CC(C1)N2

BDBM50127662

Clc1ccc(Cl)c(c1)-c1cncc(c1)N1CC2CC(C1)N2

BDBM50127663

[O-][N+](=O)c1ccc(cc1)-c1cncc(c1)N1CC2CC(C1)N2

BDBM50127664

Cc1ccc(cc1)-c1cncc(c1)N1CC2CC(C1)N2

BDBM50127665

COc1ccc(cc1)-c1cncc(c1)N1CC2CC(C1)N2

BDBM50139124

OCc1cccc(c1)C1=NCCCC1 |t:9|

BDBM50140303

Fc1cc(Br)cc(c1)C1=NCCCC1 |t:9|

BDBM50140292

Brc1cc(Br)cc(c1)C1=NCCCC1 |t:9|

BDBM50140291

Ic1cccc(c1)C1=NCCCC1 |t:8|

BDBM50140289

Brc1cccc(c1)C1=NCCCC1 |t:8|

BDBM50142625

[H][C@@]12CC[C@@]([H])(N1)[C@H](C2)c1cccc(CO)c1 |r|

BDBM50142626

OCc1cc(F)cc(c1)C1=NCCCC1 |t:10|

BDBM50139125

[H][C@@]12CC[C@@]([H])(N1)[C@H](C2)c1cccc(O)c1 |r|

BDBM50140288

Clc1cccc(c1)C1=NCCCC1 |t:8|

BDBM50140287

Fc1cccc(c1)C1=NCCCC1 |t:8|

BDBM50142624

C1CCC(=NC1)c1ccccc1 |c:3|

BDBM50142623

Cc1cccc(c1)C1=NCCCC1 |t:8|

BDBM50142627

Oc1cccc(c1)C1=NCCCC1 |t:8|

BDBM50147160

C1CN2CCC1N(CC2)c1ccc2ncccc2c1

BDBM50147161

C1CN2CCC1N(CC2)c1ccc2cccnc2c1

BDBM50147162

O=C(NC1CN2CCC1CC2)c1ccc2cccnc2c1

BDBM50160598

O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(cn2c1)-c1ccsc1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-3.71,1.53,;-5.1,.89,;-6.13,2.04,;-5.37,3.37,;-3.86,3.05,)|

BDBM50160599

CC(C)(C)c1ccc(cc1)-c1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:22.24,(.02,8.34,;-1.04,7.71,;-2.11,8.33,;-1.05,8.95,;-1.04,6.17,;.3,5.41,;.31,3.87,;-1.02,3.09,;-2.36,3.86,;-2.37,5.4,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|

BDBM50160600

CC(C)(C)c1ccc(cc1)-c1ccc2cc(cn2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:22.24,(-7.72,5.07,;-7.72,3.84,;-8.79,3.22,;-8.79,4.45,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|

BDBM50160615

CN(C)c1cccc(c1)-c1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:21.23,(1.62,7.42,;1.63,6.19,;2.7,5.58,;.3,5.41,;-1.04,6.17,;-2.37,5.4,;-2.36,3.86,;-1.02,3.09,;.31,3.87,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|

BDBM50160616

Brc1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,2.78,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.65,.02,;1.76,1.23,;.3,.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|

BDBM50160617

CCOC(=O)c1cc(C(=O)c2ccccc2)n2cc(ccc12)C(=O)N[C@H]1CN2CCC1CC2

BDBM50160618

CCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2

BDBM50160619

CCOC(=O)c1cc(C(=O)c2ccccc2)n2cccc(C(=O)N[C@H]3CN4CCC3CC4)c12

BDBM50160689

CCOC(=O)c1cc(C(=O)c2cccc(Cl)c2)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2

BDBM50160690

CCOC(=O)c1cc(C(=O)c2ccc(Cl)c(Cl)c2)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2

BDBM50160691

CCOC(=O)c1cc(C(=O)c2cccc(F)c2)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2

BDBM50161201

O=C(N[C@H]1CN2CCC1CC2)c1cc2ccccn2c1 |r,wD:3.2,(4.82,-1.02,;4.19,.04,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,;2.65,.02,;1.76,-1.23,;.3,-.77,;-1.03,-1.55,;-2.37,-.77,;-2.37,.77,;-1.03,1.55,;.3,.77,;1.76,1.23,)|

BDBM50161200

Clc1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,2.78,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.65,.02,;1.76,1.23,;.3,.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|

BDBM50161199

Cc1nc2c(Br)cccn2c1C(=O)N[C@H]1CN2CCC1CC2 |r,wD:14.15,(3.88,.03,;2.65,.02,;1.76,1.23,;.3,.77,;-1.03,1.55,;-1.02,2.78,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.24,-2.69,;1.42,-3.61,;3.75,-3,;4.23,-4.46,;3.13,-5.64,;3.63,-7.17,;5.21,-7.51,;6.3,-6.31,;5.82,-4.77,;4.63,-5.26,;4.99,-6.46,)|

BDBM50161198

O=C(N[C@H]1CN2CCC1CC2)c1cnc2ccccn12 |r,wD:3.2,(1.42,-3.61,;2.24,-2.69,;3.74,-3,;4.23,-4.46,;3.13,-5.64,;3.63,-7.17,;5.21,-7.5,;6.3,-6.3,;5.81,-4.76,;4.62,-5.25,;4.98,-6.45,;1.75,-1.23,;2.65,.02,;1.75,1.23,;.3,.77,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,)|

BDBM50161197

O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccc3ccccc3c2)n2ccccc12

BDBM50161196

Cc1nc2ccc(F)cn2c1C(=O)N[C@H]1CN2CCC1CC2 |r,wD:14.15,(3.88,.03,;2.65,.02,;1.76,1.23,;.3,.77,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-3.44,-1.38,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.24,-2.69,;1.42,-3.61,;3.75,-3,;4.23,-4.46,;3.13,-5.64,;3.63,-7.17,;5.21,-7.51,;6.3,-6.31,;5.82,-4.77,;4.63,-5.26,;4.99,-6.46,)|

BDBM50161194

Fc1ccccc1C(=O)c1cc(C(=O)N[C@H]2CN3CCC2CC3)c2ccccn12

BDBM50161193

O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccc(cc2)-c2ccccc2)n2ccccc12

BDBM50161187

Cc1ccccc1-c1ccc2cc(cn2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:19.21,(-2.65,3.69,;-3.72,3.07,;-5.05,3.84,;-6.38,3.07,;-6.38,1.53,;-5.05,.76,;-3.71,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|

BDBM50161185

Cc1cccc(c1)-c1ccc2cc(cn2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:19.21,(-7.45,.91,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|

BDBM50161184

Cc1ccccc1-c1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:19.21,(1.37,3.26,;.31,3.87,;.3,5.41,;-1.04,6.17,;-2.37,5.4,;-2.36,3.86,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|

BDBM50161183

Cc1cccc(c1)-c1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:19.21,(-3.44,6.01,;-2.37,5.4,;-1.04,6.17,;.3,5.41,;.31,3.87,;-1.02,3.09,;-2.36,3.86,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|

BDBM50161181

O=C(N[C@H]1CN2CCC1CC2)c1cc2cc(ccn2c1)-c1ccccc1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-3.71,-1.53,;-3.72,-3.07,;-5.05,-3.84,;-6.38,-3.07,;-6.38,-1.53,;-5.05,-.76,)|

BDBM50161180

O=C(N[C@H]1CN2CCC1CC2)c1cc2c(cccn2c1)-c1ccccc1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-1.02,-3.09,;.31,-3.87,;.3,-5.41,;-1.04,-6.17,;-2.37,-5.4,;-2.36,-3.86,)|

BDBM50161179

O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccccc3)n2c1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.02,3.09,;.31,3.87,;.3,5.41,;-1.04,6.17,;-2.37,5.4,;-2.36,3.86,;.3,.77,;1.76,1.24,)|

BDBM50161178

O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(cn2c1)-c1ccccc1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-3.71,1.53,;-3.72,3.07,;-5.05,3.84,;-6.38,3.07,;-6.38,1.53,;-5.05,.76,)|

BDBM50161177

Brc1cccn2cc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,-2.78,;-1.03,-1.55,;-2.37,-.77,;-2.37,.77,;-1.03,1.55,;.3,.77,;1.76,1.23,;2.65,.02,;1.76,-1.23,;.3,-.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|

BDBM50161176

Fc1cccn2cc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,-2.78,;-1.03,-1.55,;-2.37,-.77,;-2.37,.77,;-1.03,1.55,;.3,.77,;1.76,1.23,;2.65,.02,;1.76,-1.23,;.3,-.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|

BDBM50161175

Brc1cccc(c1)C(=O)c1cc(C(=O)N[C@H]2CN3CCC2CC3)c2ccccn12

BDBM50161256

Clc1ccc(cc1)C(=O)c1cc(C(=O)N[C@H]2CN3CCC2CC3)c2ccccn12

BDBM50161255

Brc1ccccc1C(=O)c1cc(C(=O)N[C@H]2CN3CCC2CC3)c2ccccn12

BDBM50161254

O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccccc2)n2ccccc12

BDBM50161251

Clc1cccc(c1)C(=O)c1cc(C(=O)N[C@H]2CN3CCC2CC3)c2ccccn12

BDBM50161250

CCOC(=O)c1cc(C(=O)c2cccc(c2)[N+]([O-])=O)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2

BDBM50161248

CCOC(=O)c1cc(C(=O)c2ccccc2O)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2

BDBM50161247

CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2

BDBM50161212

CCOC(=O)c1cc(C(=O)c2cccc(c2)C(F)(F)F)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2

BDBM50161211

Clc1cccn2cc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,-2.78,;-1.03,-1.55,;-2.37,-.77,;-2.37,.77,;-1.03,1.55,;.3,.77,;1.76,1.23,;2.65,.02,;1.76,-1.23,;.3,-.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|

BDBM50161210

Clc1ccn2cc(cc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-3.44,-1.38,;-2.37,-.77,;-2.37,.77,;-1.03,1.55,;.3,.77,;1.76,1.23,;2.65,.02,;1.76,-1.23,;.3,-.77,;-1.03,-1.55,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|

BDBM50161209

Brc1ccn2cc(cc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-3.44,-1.38,;-2.37,-.77,;-2.37,.77,;-1.03,1.55,;.3,.77,;1.76,1.23,;2.65,.02,;1.76,-1.23,;.3,-.77,;-1.03,-1.55,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|

BDBM50161208

Clc1ccc2cc(cn2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-3.44,1.38,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.65,.02,;1.76,1.23,;.3,.77,;-1.03,1.55,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|

BDBM50161207

Brc1ccc2cc(cn2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-3.44,1.38,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.65,.02,;1.76,1.23,;.3,.77,;-1.03,1.55,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|

BDBM50161205

Cc1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,2.78,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.65,.02,;1.76,1.23,;.3,.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|

BDBM50161204

O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccc(cc3)-c3ccccc3)n2c1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.02,3.09,;.31,3.87,;.3,5.41,;-1.04,6.17,;-2.37,5.4,;-2.36,3.86,;-1.04,7.71,;.29,8.49,;.28,10.03,;-1.06,10.79,;-2.39,10.02,;-2.38,8.48,;.3,.77,;1.76,1.24,)|

BDBM50161203

O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(cn2c1)-c1cccs1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-3.71,1.53,;-5.1,.89,;-6.13,2.04,;-5.37,3.37,;-3.86,3.05,)|

BDBM50161202

O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccsc3)n2c1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.02,3.09,;-2.27,3.97,;-1.8,5.44,;-.26,5.44,;.22,3.98,;.3,.77,;1.76,1.24,)|

BDBM50175588

COc1ccc(OC(=O)N2CCNCC2CCc2cccnc2)cc1

BDBM50175589

COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1

BDBM50175592

COc1ccc(NC(=O)N2CCNCC2CCc2cccnc2)cc1

BDBM50175603

COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1 |r|

BDBM50175606

C(Oc1cccnc1)[C@H]1CNCCN1c1nc2ncccc2o1 |r|

BDBM50206240

C1N=C(Nc2ncnc3ccsc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(5.4,-25.63,;6.78,-24.93,;6.54,-23.39,;7.64,-22.29,;9.14,-22.69,;9.54,-24.19,;11.04,-24.59,;12.13,-23.49,;11.71,-21.98,;12.55,-20.69,;11.57,-19.5,;10.14,-20.06,;10.23,-21.59,;5.01,-23.14,;4.3,-24.53,;3.56,-25.81,;2.27,-25.23,;2.27,-23.29,;3.11,-22.2,;3.11,-23.84,;1.53,-24.52,;.74,-25.72,)|

BDBM50206241

Cc1cn2cccc2c(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:13.23,t:11,TLB:21:13:16.17:20.19,THB:12:13:16.17:20.19,(11.73,-42.59,;11.34,-41.11,;12.43,-40.02,;12.03,-38.53,;12.87,-37.24,;11.9,-36.04,;10.46,-36.59,;10.54,-38.13,;9.47,-39.22,;7.98,-38.83,;6.89,-39.92,;7.13,-41.44,;5.75,-42.13,;4.66,-41.04,;3.93,-42.32,;2.65,-41.73,;2.65,-39.82,;3.49,-38.74,;3.49,-40.36,;1.92,-41.04,;1.13,-42.22,;5.37,-39.67,;9.86,-40.71,)|

BDBM50206242

Brc1cc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn2c1 |r,wU:9.18,t:6,TLB:17:9:12.13:16.15,THB:8:9:12.13:16.15,(28.03,-.84,;27.63,-2.32,;26.2,-2.87,;26.28,-4.41,;25.2,-5.5,;23.71,-5.11,;22.62,-6.2,;22.86,-7.72,;21.49,-8.41,;20.4,-7.32,;19.66,-8.6,;18.39,-8.01,;18.39,-6.1,;19.22,-5.02,;19.22,-6.64,;17.66,-7.32,;16.87,-8.5,;21.1,-5.95,;25.59,-6.99,;27.07,-7.39,;28.16,-6.3,;27.76,-4.81,;28.6,-3.52,)|

BDBM50206247

Brc1ccn2ncnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c12 |r,wU:13.22,t:10,TLB:21:13:16.17:20.19,THB:12:13:16.17:20.19,(38.66,-1.75,;39.95,-2.58,;41.38,-2.03,;42.35,-3.23,;41.51,-4.52,;41.91,-6.02,;40.82,-7.1,;39.34,-6.7,;38.95,-5.22,;37.46,-4.82,;36.37,-5.91,;36.61,-7.43,;35.24,-8.13,;34.15,-7.04,;33.41,-8.31,;32.13,-7.73,;32.13,-5.81,;32.97,-4.73,;32.97,-6.35,;31.41,-7.03,;30.62,-8.21,;34.85,-5.66,;40.02,-4.12,)|

BDBM50206250

Fc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(27.6,-47.37,;26.08,-47.44,;25.11,-46.25,;23.67,-46.8,;23.75,-48.33,;22.67,-49.43,;21.18,-49.03,;20.09,-50.12,;20.33,-51.64,;18.96,-52.34,;17.87,-51.25,;17.14,-52.52,;15.86,-51.94,;15.86,-50.02,;16.7,-48.94,;16.7,-50.57,;15.13,-51.24,;14.34,-52.43,;18.57,-49.88,;23.06,-50.91,;24.54,-51.31,;25.63,-50.23,;25.23,-48.74,)|

BDBM50206252

Clc1ccc2c(NC3=NCCC4(CN5CCC4CC5)O3)ncnn12 |t:7,TLB:19:11:14.15:18.17,THB:10:11:14.15:18.17,(13.31,-23.78,;11.85,-24.26,;10.59,-23.35,;9.34,-24.26,;9.82,-25.73,;9.06,-27.08,;7.52,-27.08,;6.74,-28.41,;7.51,-29.74,;6.73,-31.06,;5.21,-31.05,;4.45,-29.73,;3.72,-31.01,;2.43,-30.43,;2.43,-28.5,;3.28,-27.42,;3.28,-29.05,;1.7,-29.73,;.91,-30.92,;5.21,-28.4,;9.83,-28.41,;11.37,-28.41,;12.15,-27.07,;11.37,-25.73,)|

BDBM50206253

Brc1cc(Br)n2ncnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c12 |r,wU:14.23,t:11,TLB:22:14:17.18:21.20,THB:13:14:17.18:21.20,(9.24,-11.95,;10.52,-12.78,;11.96,-12.23,;12.93,-13.43,;14.46,-13.35,;12.09,-14.72,;12.49,-16.22,;11.39,-17.3,;9.92,-16.9,;9.52,-15.42,;8.04,-15.02,;6.95,-16.11,;7.19,-17.63,;5.81,-18.33,;4.72,-17.24,;3.99,-18.51,;2.71,-17.93,;2.71,-16.01,;3.55,-14.93,;3.55,-16.55,;1.98,-17.23,;1.19,-18.41,;5.43,-15.86,;10.6,-14.32,)|

BDBM50206254

Cn1cnc2cnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)cc12 |r,wU:12.21,t:9,TLB:20:12:15.16:19.18,THB:11:12:15.16:19.18,(40.07,-1.29,;40,-2.83,;41.21,-3.79,;40.66,-5.24,;39.12,-5.17,;38.03,-6.26,;36.55,-5.86,;36.16,-4.38,;34.67,-3.98,;33.58,-5.07,;33.82,-6.59,;32.44,-7.29,;31.35,-6.2,;30.62,-7.47,;29.34,-6.89,;29.34,-4.97,;30.18,-3.89,;30.18,-5.51,;28.61,-6.19,;27.82,-7.38,;32.06,-4.82,;37.23,-3.29,;38.71,-3.68,)|

BDBM50206255

C1N=C(Nc2ncnc3sccc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(32.53,-15.53,;33.92,-14.83,;33.67,-13.3,;34.77,-12.19,;36.28,-12.59,;36.67,-14.09,;38.17,-14.49,;39.26,-13.39,;38.85,-11.89,;39.68,-10.59,;38.71,-9.4,;37.27,-9.96,;37.36,-11.49,;32.14,-13.05,;31.43,-14.43,;30.69,-15.72,;29.4,-15.13,;29.4,-13.19,;30.25,-12.11,;30.25,-13.74,;28.66,-14.43,;27.87,-15.62,)|

BDBM50206244

C1N=C(Nc2ccc3nccn3n2)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(32.64,-24.37,;34.02,-23.68,;33.78,-22.15,;34.87,-21.06,;36.37,-21.46,;36.76,-22.94,;38.24,-23.34,;39.34,-22.25,;40.88,-22.32,;41.43,-20.88,;40.23,-19.92,;38.94,-20.76,;37.45,-20.36,;32.25,-21.9,;31.55,-23.28,;30.81,-24.56,;29.53,-23.97,;29.53,-22.05,;30.37,-20.97,;30.37,-22.6,;28.8,-23.28,;28.01,-24.46,)|

BDBM50206256

Clc1cnn2ccc(NC3=NC[C@@]4(CN5CCC4CC5)O3)nc12 |r,wU:12.21,t:9,TLB:20:12:15.16:19.18,THB:11:12:15.16:19.18,(13.35,-28.59,;13.27,-30.12,;14.47,-31.09,;13.92,-32.53,;12.39,-32.45,;11.28,-33.55,;9.8,-33.15,;9.41,-31.66,;7.91,-31.26,;6.82,-32.35,;7.06,-33.88,;5.68,-34.58,;4.59,-33.48,;3.85,-34.76,;2.57,-34.18,;2.57,-32.25,;3.41,-31.17,;3.41,-32.8,;1.84,-33.48,;1.04,-34.67,;5.29,-32.11,;10.49,-30.56,;11.98,-30.96,)|

BDBM50206258

C1N=C(Nc2nccn3cccc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(21.01,-33.98,;22.38,-33.28,;22.14,-31.76,;23.23,-30.67,;24.72,-31.07,;25.11,-32.55,;26.59,-32.95,;27.68,-31.87,;27.28,-30.38,;28.12,-29.09,;27.16,-27.89,;25.72,-28.44,;25.8,-29.98,;20.62,-31.52,;19.92,-32.89,;19.18,-34.16,;17.91,-33.58,;17.91,-31.66,;18.74,-30.58,;18.74,-32.21,;17.18,-32.89,;16.39,-34.07,)|

BDBM50206260

Clc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(13.58,-47.6,;12.05,-47.68,;11.08,-46.48,;9.64,-47.03,;9.72,-48.57,;8.64,-49.66,;7.16,-49.26,;6.06,-50.36,;6.3,-51.88,;4.93,-52.57,;3.84,-51.48,;3.11,-52.75,;1.83,-52.17,;1.83,-50.25,;2.67,-49.18,;2.67,-50.8,;1.1,-51.48,;.31,-52.66,;4.54,-50.11,;9.03,-51.15,;10.51,-51.54,;11.61,-50.46,;11.21,-48.97,)|

BDBM50206261

N#Cc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:11.20,t:8,TLB:19:11:14.15:18.17,THB:10:11:14.15:18.17,(15.55,-3,;14.03,-3.09,;12.5,-3.16,;11.53,-1.96,;10.09,-2.52,;10.17,-4.05,;9.09,-5.15,;7.61,-4.75,;6.51,-5.84,;6.75,-7.36,;5.38,-8.06,;4.29,-6.97,;3.56,-8.24,;2.28,-7.66,;2.28,-5.74,;3.12,-4.66,;3.12,-6.28,;1.55,-6.96,;.76,-8.15,;4.99,-5.6,;9.48,-6.63,;10.96,-7.03,;12.06,-5.95,;11.66,-4.45,)|

BDBM50206246

Clc1ccc2c(NC3=NC[C@]4(CN5CCC4CC5)O3)ncnn12 |r,wD:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(30.39,-13.24,;28.86,-13.32,;27.89,-12.12,;26.45,-12.67,;26.53,-14.21,;25.45,-15.3,;23.97,-14.9,;22.88,-15.99,;23.12,-17.51,;21.74,-18.21,;20.65,-17.12,;19.92,-18.39,;18.64,-17.81,;18.64,-15.89,;19.48,-14.82,;19.48,-16.44,;17.91,-17.12,;17.12,-18.3,;21.36,-15.75,;25.85,-16.79,;27.32,-17.18,;28.42,-16.1,;28.02,-14.61,)|

BDBM50206249

Clc1ccc2c(NC3=NC4(CO3)CN3CCC4CC3)ncnn12 |t:7,TLB:8:9:14.15:18.17,THB:10:9:14.15:18.17,(44.76,-13.12,;43.23,-13.2,;42.26,-12,;40.82,-12.55,;40.9,-14.09,;39.82,-15.18,;38.33,-14.79,;37.24,-15.88,;35.72,-15.63,;35.02,-17,;36.11,-18.09,;37.48,-17.4,;34.29,-18.28,;33.01,-17.7,;33.01,-15.78,;33.85,-14.7,;33.85,-16.32,;32.28,-17,;31.49,-18.18,;40.21,-16.67,;41.69,-17.07,;42.79,-15.98,;42.39,-14.49,)|

BDBM50206262

[H][C@@]12CCN(C1)C[C@@]21CN=C(Nc2ncnn3cccc23)O1 |r,t:11,TLB:21:7:2.3:5,THB:8:7:2.3:5|

BDBM50206264

C1N=C(Nc2ncnn3cccc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(18.77,-42.77,;20.14,-42.08,;19.91,-40.56,;21,-39.47,;22.48,-39.87,;22.87,-41.35,;24.35,-41.75,;25.45,-40.66,;25.05,-39.17,;25.89,-37.88,;24.92,-36.68,;23.48,-37.23,;23.56,-38.77,;18.39,-40.31,;17.68,-41.68,;16.95,-42.96,;15.67,-42.38,;15.67,-40.46,;16.51,-39.38,;16.51,-41,;14.94,-41.68,;14.15,-42.86,)|

BDBM50206266

C1N=C(Nc2nccc3occc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(19.68,-16.43,;21.06,-15.73,;20.82,-14.2,;21.92,-13.1,;23.42,-13.5,;23.81,-15,;25.3,-15.4,;26.4,-14.3,;25.98,-12.8,;26.81,-11.5,;25.84,-10.31,;24.41,-10.87,;24.5,-12.4,;19.29,-13.95,;18.58,-15.33,;17.84,-16.62,;16.55,-16.03,;16.55,-14.1,;17.4,-13.01,;17.4,-14.65,;15.82,-15.33,;15.02,-16.52,)|

BDBM50206268

Cn1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnc12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(27.73,-20.49,;26.19,-20.57,;25.22,-19.38,;23.78,-19.94,;23.87,-21.48,;22.78,-22.57,;21.28,-22.17,;20.18,-23.28,;20.43,-24.81,;19.04,-25.51,;17.94,-24.41,;17.2,-25.7,;15.91,-25.11,;15.91,-23.17,;16.76,-22.09,;16.76,-23.72,;15.18,-24.41,;14.38,-25.6,;18.65,-23.03,;23.18,-24.07,;24.68,-24.47,;25.77,-23.37,;25.36,-21.87,)|

BDBM50206251

Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)nccn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(43.91,-27.94,;42.38,-28.02,;41.42,-26.82,;39.98,-27.37,;40.06,-28.91,;38.98,-30,;37.49,-29.61,;36.4,-30.7,;36.64,-32.22,;35.27,-32.91,;34.18,-31.82,;33.44,-33.1,;32.17,-32.51,;32.17,-30.6,;33.01,-29.52,;33.01,-31.14,;31.44,-31.82,;30.65,-33,;34.88,-30.45,;39.37,-31.49,;40.85,-31.89,;41.94,-30.8,;41.54,-29.31,)|

BDBM50206245

Cc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(41.57,-46.49,;40.04,-46.57,;39.07,-45.37,;37.63,-45.93,;37.71,-47.46,;36.63,-48.56,;35.14,-48.16,;34.05,-49.25,;34.29,-50.77,;32.92,-51.47,;31.83,-50.38,;31.1,-51.65,;29.82,-51.07,;29.82,-49.15,;30.66,-48.07,;30.66,-49.69,;29.09,-50.37,;28.3,-51.56,;32.53,-49,;37.02,-50.04,;38.5,-50.44,;39.6,-49.36,;39.2,-47.86,)|

BDBM50206248

Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(40.57,-37.22,;39.04,-37.3,;38.07,-36.1,;36.63,-36.65,;36.71,-38.19,;35.64,-39.28,;34.15,-38.88,;33.06,-39.97,;33.3,-41.49,;31.93,-42.19,;30.84,-41.1,;30.1,-42.37,;28.82,-41.79,;28.82,-39.87,;29.66,-38.79,;29.66,-40.42,;28.1,-41.09,;27.31,-42.28,;31.54,-39.73,;36.03,-40.76,;37.51,-41.16,;38.6,-40.08,;38.2,-38.59,)|

BDBM50206263

Cn1cnc2cc(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncc12 |r,wU:11.20,t:8,TLB:19:11:14.15:18.17,THB:10:11:14.15:18.17,(13.74,-15.62,;12.89,-14.34,;13.44,-12.89,;12.23,-11.93,;10.94,-12.78,;9.46,-12.39,;8.39,-13.48,;6.9,-13.08,;5.81,-14.17,;6.05,-15.7,;4.67,-16.39,;3.58,-15.3,;2.85,-16.58,;1.57,-15.99,;1.57,-14.07,;2.41,-12.99,;2.41,-14.62,;.84,-15.3,;.05,-16.48,;4.29,-13.93,;8.78,-14.97,;10.26,-15.36,;11.35,-14.27,)|

BDBM50211096

C1N=C(Nc2nc3ccccc3s2)O[C@@]11CN2CCC1CC2 |r,wD:14.15,t:1,THB:13:14:17.18:21.20,(28.88,-37.4,;29.71,-36.11,;28.74,-34.91,;29.14,-33.42,;30.62,-33.02,;31.83,-33.98,;33.11,-33.14,;34.59,-33.54,;35.68,-32.45,;35.27,-30.97,;33.79,-30.57,;32.72,-31.66,;31.18,-31.58,;27.31,-35.47,;27.39,-37,;27.69,-38.52,;26.2,-37.84,;24.54,-38.55,;24.32,-37.05,;25.92,-36.35,;26,-34.57,;26.47,-35.78,)|

BDBM50211194

COc1ccc2nc(NC3=NCC4(CN5CCC4CC5)O3)sc2c1 |t:9,THB:20:12:15.16:19.18,(53.71,-31.69,;52.22,-31.29,;51.13,-32.39,;51.54,-33.87,;50.45,-34.96,;48.97,-34.56,;47.69,-35.41,;46.48,-34.44,;45,-34.84,;44.6,-36.33,;45.57,-37.53,;44.74,-38.82,;43.25,-38.42,;43.55,-39.94,;42.06,-39.26,;40.4,-39.97,;40.18,-38.47,;41.78,-37.77,;41.86,-35.99,;42.33,-37.2,;43.16,-36.89,;47.04,-33,;48.58,-33.08,;49.65,-32,)|

BDBM50211195

COc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2c1 |r,wU:12.21,t:9,THB:20:12:15.16:19.18,(37.09,-40.85,;35.6,-40.46,;34.52,-41.55,;34.92,-43.04,;33.83,-44.12,;32.35,-43.73,;31.07,-44.57,;29.87,-43.61,;28.38,-44.01,;27.98,-45.5,;28.96,-46.69,;28.12,-47.99,;26.63,-47.59,;26.93,-49.11,;25.44,-48.42,;23.78,-49.14,;23.56,-47.64,;25.16,-46.94,;25.24,-45.16,;25.72,-46.36,;26.55,-46.05,;30.42,-42.17,;31.96,-42.24,;33.04,-41.16,)|

BDBM50211196

C1N=C(Nc2nc3ccccc3s2)OC11CN2CCC1CC2 |t:1,THB:13:14:17.18:21.20,(24.52,-9.98,;25.36,-8.69,;24.39,-7.5,;24.78,-6.01,;26.27,-5.61,;27.47,-6.57,;28.75,-5.73,;30.23,-6.12,;31.32,-5.04,;30.92,-3.55,;29.44,-3.16,;28.36,-4.24,;26.82,-4.16,;22.95,-8.05,;23.03,-9.59,;23.33,-11.11,;21.84,-10.42,;20.18,-11.14,;19.97,-9.63,;21.57,-8.94,;21.64,-7.16,;22.12,-8.36,)|

BDBM50211197

[H][C@@]12CCN(C1)C[C@@]21CN=C(Nc2nc3ccccc3s2)O1 |r,t:11,TLB:21:7:5:3.2|

BDBM50211198

COc1cccc2sc(NC3=NCC4(CN5CCC4CC5)O3)nc12 |t:10,THB:21:13:16.17:20.19,(49.13,-16.73,;50.22,-15.65,;49.82,-14.17,;50.91,-13.09,;50.51,-11.6,;49.03,-11.21,;47.95,-12.29,;46.41,-12.21,;45.86,-13.65,;44.37,-14.06,;43.97,-15.54,;44.95,-16.74,;44.11,-18.03,;42.62,-17.64,;42.92,-19.16,;41.43,-18.47,;39.77,-19.19,;39.55,-17.68,;41.15,-16.99,;41.23,-15.21,;41.71,-16.41,;42.54,-16.1,;47.06,-14.62,;48.34,-13.77,)|

BDBM50211192

COc1ccc2nc(NC3=NC[C@]4(CN5CCC4CC5)O3)sc2c1 |r,wD:12.21,t:9,THB:20:12:15.16:19.18,(37.09,-40.85,;35.6,-40.46,;34.52,-41.55,;34.92,-43.04,;33.83,-44.12,;32.35,-43.73,;31.07,-44.57,;29.87,-43.61,;28.38,-44.01,;27.98,-45.5,;28.96,-46.69,;28.12,-47.99,;26.63,-47.59,;26.93,-49.11,;25.44,-48.42,;23.78,-49.14,;23.56,-47.64,;25.16,-46.94,;25.24,-45.16,;25.72,-46.36,;26.55,-46.05,;30.42,-42.17,;31.96,-42.24,;33.04,-41.16,)|

BDBM50211199

Oc1ccc2nc(NC3=NCC4(CN5CCC4CC5)O3)sc2c1 |t:8,THB:19:11:14.15:18.17,(85.99,-.78,;84.9,-1.87,;85.31,-3.36,;84.22,-4.44,;82.74,-4.04,;81.46,-4.89,;80.25,-3.92,;78.77,-4.33,;78.37,-5.81,;79.34,-7.01,;78.51,-8.3,;77.02,-7.91,;77.32,-9.43,;75.83,-8.74,;74.17,-9.46,;73.95,-7.95,;75.55,-7.26,;75.63,-5.47,;76.1,-6.68,;76.94,-6.37,;80.81,-2.48,;82.35,-2.56,;83.42,-1.48,)|

BDBM50211190

COc1cc2nc(NC3=NCC4(CN5CCC4CC5)O3)sc2cc1OC |t:8,THB:19:11:14.15:18.17,(71.43,-3.57,;70.34,-4.65,;68.86,-4.26,;67.77,-5.34,;66.29,-4.94,;65.01,-5.79,;63.81,-4.82,;62.32,-5.23,;61.92,-6.71,;62.9,-7.91,;62.06,-9.2,;60.57,-8.81,;60.87,-10.33,;59.38,-9.64,;57.72,-10.35,;57.5,-8.85,;59.11,-8.16,;59.18,-6.37,;59.66,-7.58,;60.49,-7.27,;64.36,-3.38,;65.9,-3.46,;66.98,-2.38,;68.46,-2.77,;69.54,-1.68,;71.03,-2.07,)|

BDBM50211097

C1N=C(Nc2ccccc2)OC11CN2CCC1CC2 |t:1,THB:10:11:14.15:18.17,(7.22,-8.53,;8.06,-7.24,;7.09,-6.04,;7.48,-4.55,;8.97,-4.15,;10.05,-5.24,;11.54,-4.84,;11.93,-3.35,;10.83,-2.26,;9.35,-2.67,;5.65,-6.6,;5.73,-8.13,;6.04,-9.65,;4.54,-8.97,;2.88,-9.68,;2.67,-8.18,;4.27,-7.48,;4.34,-5.7,;4.82,-6.91,)|

BDBM50211201

C1N=C(Nc2ncc(s2)-c2ccccc2)OC11CN2CCC1CC2 |t:1,THB:15:16:19.20:23.22,(8.59,-29.71,;9.43,-28.42,;8.46,-27.22,;8.85,-25.73,;10.34,-25.33,;11.54,-26.3,;12.83,-25.45,;12.43,-23.97,;10.89,-23.89,;13.39,-22.77,;14.91,-23.01,;15.88,-21.81,;15.32,-20.38,;13.79,-20.14,;12.84,-21.34,;7.02,-27.78,;7.1,-29.31,;7.41,-30.83,;5.91,-30.15,;4.25,-30.86,;4.04,-29.36,;5.64,-28.66,;5.71,-26.88,;6.19,-28.09,)|

BDBM50211200

C1N=C(Nc2nc(cs2)-c2ccccc2)OC11CN2CCC1CC2 |t:1,THB:15:16:19.20:23.22,(8.78,-39.79,;9.61,-38.49,;8.64,-37.3,;9.04,-35.81,;10.52,-35.41,;11.73,-36.37,;13.02,-35.53,;12.61,-34.04,;11.08,-33.97,;14.45,-36.08,;14.69,-37.6,;16.13,-38.15,;17.33,-37.18,;17.07,-35.65,;15.64,-35.11,;7.2,-37.85,;7.29,-39.39,;7.59,-40.91,;6.1,-40.22,;4.44,-40.94,;4.22,-39.44,;5.82,-38.74,;5.9,-36.96,;6.37,-38.17,)|

BDBM50211098

C1N=C(Nc2ccncc2)OC11CN2CCC1CC2 |t:1,THB:10:11:14.15:18.17,(43.47,-8.64,;44.31,-7.34,;43.34,-6.15,;43.73,-4.66,;45.22,-4.26,;46.3,-5.35,;47.79,-4.95,;48.18,-3.46,;47.08,-2.37,;45.6,-2.78,;41.9,-6.71,;41.98,-8.24,;42.29,-9.76,;40.79,-9.07,;39.13,-9.79,;38.92,-8.29,;40.52,-7.59,;40.59,-5.81,;41.07,-7.02,)|

BDBM50211202

COc1ccc2sc(NC3=NCC4(CN5CCC4CC5)O3)nc2c1 |t:9,THB:20:12:15.16:19.18,(53.42,-23.9,;53.02,-22.42,;51.54,-22.03,;51.13,-20.54,;49.65,-20.15,;48.58,-21.23,;47.04,-21.15,;46.48,-22.59,;45,-22.99,;44.6,-24.48,;45.57,-25.68,;44.74,-26.97,;43.25,-26.58,;43.55,-28.09,;42.06,-27.41,;40.4,-28.12,;40.18,-26.62,;41.78,-25.92,;41.86,-24.14,;42.33,-25.35,;43.16,-25.04,;47.69,-23.56,;48.97,-22.71,;50.45,-23.11,)|

BDBM50211203

CCOc1ccc2nc(NC3=NCC4(CN5CCC4CC5)O3)sc2c1 |t:10,THB:21:13:16.17:20.19,(72.49,-11.87,;71.4,-12.97,;69.91,-12.57,;68.83,-13.67,;69.23,-15.15,;68.14,-16.24,;66.66,-15.84,;65.38,-16.68,;64.18,-15.72,;62.69,-16.12,;62.29,-17.61,;63.27,-18.8,;62.43,-20.1,;60.94,-19.7,;61.24,-21.22,;59.75,-20.53,;58.09,-21.25,;57.88,-19.75,;59.48,-19.05,;59.55,-17.27,;60.03,-18.48,;60.86,-18.17,;64.73,-14.28,;66.27,-14.36,;67.35,-13.27,)|

BDBM50211204

Cc1ccc2nc(NC3=NCC4(CN5CCC4CC5)O3)sc2c1 |t:8,THB:19:11:14.15:18.17,(71.05,-33.3,;69.97,-34.4,;70.37,-35.88,;69.29,-36.97,;67.81,-36.57,;66.52,-37.42,;65.32,-36.45,;63.83,-36.85,;63.44,-38.34,;64.41,-39.54,;63.57,-40.83,;62.08,-40.43,;62.39,-41.95,;60.89,-41.27,;59.23,-41.98,;59.02,-40.48,;60.62,-39.78,;60.69,-38,;61.17,-39.21,;62,-38.9,;65.87,-35.01,;67.41,-35.09,;68.49,-34.01,)|

BDBM50211205

COc1ccc2nc(NC3=NC4(CO3)CN3CCC4CC3)sc2c1 |t:9,THB:10:11:16.17:20.19,(18.31,-2.53,;16.82,-2.14,;15.74,-3.23,;16.14,-4.72,;15.05,-5.8,;13.58,-5.41,;12.29,-6.25,;11.09,-5.29,;9.6,-5.69,;9.21,-7.18,;7.77,-7.73,;7.85,-9.27,;9.34,-9.66,;10.18,-8.37,;8.16,-10.79,;6.66,-10.1,;5,-10.82,;4.79,-9.31,;6.39,-8.62,;6.46,-6.84,;6.94,-8.04,;11.64,-3.84,;13.18,-3.92,;14.26,-2.84,)|

BDBM50211206

C1CN2CC1C1(CN=C(Nc3nc4ccccc4s3)O1)C2 |t:8,TLB:6:5:1.0:3,THB:19:5:1.0:3|

BDBM50211207

C1C2CCCN1CC21CN=C(Nc2nc3ccccc3s2)O1 |t:11,TLB:21:7:0:4.2.3|

BDBM50211208

C1N=C(Nc2cc(ccn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wU:17.18,t:1,THB:16:17:20.21:24.23,(46.52,-20.21,;47.35,-18.92,;46.38,-17.72,;46.78,-16.24,;48.26,-15.84,;48.64,-14.36,;50.12,-13.96,;51.22,-15.04,;50.82,-16.53,;49.34,-16.93,;50.5,-12.47,;52,-12.06,;52.39,-10.57,;51.29,-9.48,;49.79,-9.9,;49.41,-11.39,;44.95,-18.28,;45.04,-19.81,;45.34,-21.33,;43.85,-20.64,;42.19,-21.36,;41.98,-19.86,;43.57,-19.16,;43.65,-17.39,;44.12,-18.59,)|

BDBM50211209

C1N=C(Nc2ccc(cn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wU:17.18,t:1,THB:16:17:20.21:24.23,(11.88,-26.96,;12.71,-25.67,;11.74,-24.47,;12.13,-22.98,;13.62,-22.58,;14,-21.1,;15.48,-20.69,;16.59,-21.78,;16.19,-23.27,;14.7,-23.67,;18.07,-21.38,;19.16,-22.47,;20.65,-22.07,;21.05,-20.57,;19.94,-19.48,;18.46,-19.9,;10.3,-25.03,;10.39,-26.57,;10.69,-28.08,;9.19,-27.4,;7.53,-28.11,;7.32,-26.61,;8.92,-25.92,;8.99,-24.14,;9.47,-25.34,)|

BDBM50211210

C1N=C(Nc2ccc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,THB:14:15:18.19:22.21,(48.06,-43.88,;48.9,-42.58,;47.93,-41.39,;48.32,-39.9,;49.81,-39.5,;50.19,-38.02,;51.67,-37.61,;52.77,-38.7,;54.25,-38.3,;55.34,-39.38,;54.95,-40.88,;53.46,-41.27,;52.37,-40.19,;50.89,-40.59,;46.49,-41.94,;46.57,-43.48,;46.88,-45,;45.38,-44.31,;43.72,-45.03,;43.51,-43.53,;45.11,-42.83,;45.18,-41.05,;45.66,-42.26,)|

BDBM50211211

C1N=C(Nc2nccs2)OC11CN2CCC1CC2 |t:1,THB:9:10:13.14:17.16,(7.52,-18.74,;8.35,-17.45,;7.38,-16.26,;7.78,-14.77,;9.26,-14.37,;10.47,-15.33,;11.76,-14.49,;11.35,-13,;9.82,-12.93,;5.94,-16.81,;6.03,-18.35,;6.33,-19.87,;4.84,-19.18,;3.18,-19.9,;2.96,-18.39,;4.56,-17.7,;4.64,-15.92,;5.11,-17.12,)|

BDBM50211217

C1N\C(OC11CN2CCC1CC2)=N/c1cccnc1 |THB:3:4:7.8:11.10,(29.34,-41.81,;30.17,-40.52,;29.2,-39.32,;27.77,-39.88,;27.85,-41.42,;28.15,-42.93,;26.66,-42.25,;25,-42.96,;24.78,-41.46,;26.38,-40.76,;26.46,-38.98,;26.94,-40.19,;29.6,-37.83,;31.08,-37.43,;31.47,-35.95,;32.95,-35.55,;34.05,-36.63,;33.65,-38.12,;32.17,-38.52,)|

BDBM50211220

C1N=C(Nc2nc3ccccc3s2)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,THB:13:14:17.18:21.20,(28.88,-37.4,;29.71,-36.11,;28.74,-34.91,;29.14,-33.42,;30.62,-33.02,;31.83,-33.98,;33.11,-33.14,;34.59,-33.54,;35.68,-32.45,;35.27,-30.97,;33.79,-30.57,;32.72,-31.66,;31.18,-31.58,;27.31,-35.47,;27.39,-37,;27.69,-38.52,;26.2,-37.84,;24.54,-38.55,;24.32,-37.05,;25.92,-36.35,;26,-34.57,;26.47,-35.78,)|

BDBM50206265

C1N=C(Nc2nccc3ccccc23)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,THB:14:15:18.19:22.21,(64.82,-20.78,;65.66,-19.49,;64.69,-18.29,;65.08,-16.8,;66.57,-16.4,;67.65,-17.49,;69.14,-17.09,;69.54,-15.6,;68.43,-14.52,;68.83,-13.04,;67.74,-11.96,;66.25,-12.37,;65.87,-13.84,;66.95,-14.92,;63.25,-18.85,;63.33,-20.39,;63.63,-21.91,;62.14,-21.22,;60.48,-21.94,;60.26,-20.43,;61.86,-19.73,;61.94,-17.95,;62.42,-19.16,)|

BDBM50211221

C1N=C(Nc2ccc3scnc3c2)OC11CN2CCC1CC2 |t:1,THB:13:14:17.18:21.20,(27.32,-19.86,;28.16,-18.56,;27.19,-17.37,;27.58,-15.88,;29.07,-15.48,;29.45,-14,;30.93,-13.6,;32.03,-14.68,;33.57,-14.59,;34.13,-16.03,;32.94,-17,;31.64,-16.17,;30.15,-16.57,;25.75,-17.93,;25.84,-19.46,;26.14,-20.98,;24.65,-20.29,;22.99,-21.01,;22.77,-19.51,;24.37,-18.81,;24.45,-17.03,;24.92,-18.24,)|

BDBM50206243

C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)|

BDBM50211191

COc1ccc2nc(\N=C3\OC4(CN3C)CN3CCC4CC3)sc2c1 |THB:10:11:17.18:21.20,(18.25,-13.3,;16.76,-12.91,;15.67,-14,;16.07,-15.49,;14.99,-16.58,;13.51,-16.18,;12.23,-17.02,;11.02,-16.06,;9.53,-16.46,;9.14,-17.95,;7.7,-18.5,;7.79,-20.04,;9.28,-20.44,;10.11,-19.14,;11.65,-19.06,;8.09,-21.56,;6.6,-20.87,;4.93,-21.59,;4.72,-20.09,;6.32,-19.39,;6.4,-17.61,;6.87,-18.82,;11.58,-14.62,;13.11,-14.69,;14.19,-13.61,)|

BDBM50211215

C1N=C(Nc2ccccn2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,THB:10:11:14.15:18.17,(46.07,-8.61,;46.9,-7.32,;45.93,-6.12,;46.33,-4.64,;47.81,-4.23,;48.2,-2.75,;49.68,-2.35,;50.78,-3.44,;50.38,-4.92,;48.9,-5.33,;44.5,-6.68,;44.58,-8.22,;44.88,-9.74,;43.39,-9.05,;41.73,-9.76,;41.51,-8.26,;43.11,-7.57,;43.19,-5.78,;43.67,-6.99,)|

BDBM50211212

C1N=C(Nc2ccccn2)OC11CN2CCC1CC2 |t:1,THB:10:11:14.15:18.17,(29.01,-30.28,;29.84,-28.99,;28.87,-27.79,;29.27,-26.3,;30.75,-25.9,;31.14,-24.42,;32.62,-24.01,;33.72,-25.1,;33.32,-26.59,;31.84,-26.99,;27.44,-28.35,;27.52,-29.88,;27.82,-31.4,;26.33,-30.72,;24.67,-31.43,;24.45,-29.93,;26.05,-29.23,;26.13,-27.45,;26.61,-28.66,)|

BDBM50211213

Clc1ccc2nc(NC3=NCC4(CN5CCC4CC5)O3)sc2c1 |t:8,THB:19:11:14.15:18.17,(70.55,-22.03,;69.46,-23.12,;69.87,-24.61,;68.78,-25.69,;67.3,-25.29,;66.02,-26.14,;64.82,-25.17,;63.33,-25.58,;62.93,-27.06,;63.91,-28.26,;63.07,-29.55,;61.58,-29.16,;61.88,-30.68,;60.39,-29.99,;58.73,-30.71,;58.51,-29.2,;60.11,-28.51,;60.19,-26.72,;60.67,-27.93,;61.5,-27.62,;65.37,-23.73,;66.91,-23.81,;67.99,-22.73,)|

BDBM50211222

COc1ccc2nc(NC3=NCCC4(CN5CCC4CC5)O3)sc2c1 |t:9,THB:21:13:16.17:20.19,(16.33,-21.9,;14.79,-21.9,;14.02,-23.24,;14.79,-24.58,;14.02,-25.91,;12.48,-25.9,;11.46,-27.05,;10.05,-26.42,;8.71,-27.18,;8.71,-28.73,;10.04,-29.5,;10.04,-31.04,;8.71,-31.8,;7.37,-31.03,;7.68,-32.55,;6.19,-31.86,;4.54,-32.58,;4.32,-31.08,;5.92,-30.38,;5.99,-28.61,;6.47,-29.81,;7.37,-29.49,;10.21,-24.89,;11.72,-24.57,;12.49,-23.24,)|

BDBM50211214

[H][C@@]12CN(CC11CN=C(Nc3nc4ccccc4s3)O1)CCC2 |r,t:8,TLB:6:5:2:21.20.22,THB:19:5:2:21.20.22|

BDBM50232601

COc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1 |r,wU:9.18,t:6,TLB:17:9:13.12:15.16,THB:8:9:13.12:15.16,(56.71,-39.75,;57.48,-41.09,;56.71,-42.42,;55.17,-42.43,;54.41,-43.76,;52.87,-43.76,;52.1,-45.1,;52.72,-46.51,;51.57,-47.53,;50.24,-46.76,;50.23,-48.18,;48.06,-47.64,;48.07,-45.84,;48.64,-44.56,;48.71,-46.09,;47.31,-46.85,;46.99,-48.4,;50.56,-45.26,;55.18,-45.1,;56.72,-45.1,;57.49,-43.77,)|

BDBM50232602

Clc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1 |r,wU:8.17,t:5,TLB:16:8:12.11:14.15,THB:7:8:12.11:14.15,(45.28,-41.37,;44.51,-42.71,;42.97,-42.71,;42.21,-44.05,;40.67,-44.05,;39.89,-45.38,;40.52,-46.79,;39.37,-47.82,;38.04,-47.05,;38.03,-48.46,;35.86,-47.93,;35.87,-46.12,;36.44,-44.85,;36.51,-46.38,;35.11,-47.13,;34.79,-48.69,;38.36,-45.54,;42.97,-45.39,;44.52,-45.39,;45.28,-44.05,)|

BDBM50232603

Cc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1 |r,wU:8.17,t:5,TLB:16:8:12.11:14.15,THB:7:8:12.11:14.15,(24.2,-40.79,;23.43,-42.13,;21.89,-42.13,;21.13,-43.47,;19.59,-43.46,;18.81,-44.8,;19.44,-46.21,;18.29,-47.24,;16.96,-46.47,;16.95,-47.88,;14.78,-47.34,;14.79,-45.54,;15.36,-44.27,;15.43,-45.79,;14.03,-46.55,;13.71,-48.11,;17.28,-44.96,;21.89,-44.8,;23.44,-44.81,;24.2,-43.47,)|

BDBM50232604

C1N=C(Nc2cnc(cn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wU:17.18,t:1,TLB:16:17:21.20:23.24,THB:0:17:21.20:23.24,(5.45,-45.54,;6.6,-44.51,;5.98,-43.11,;6.75,-41.77,;8.29,-41.77,;9.05,-40.44,;10.59,-40.43,;11.36,-41.77,;10.6,-43.11,;9.06,-43.11,;12.9,-41.77,;13.67,-43.11,;15.21,-43.11,;15.99,-41.77,;15.21,-40.43,;13.67,-40.44,;4.44,-43.26,;4.12,-44.77,;4.11,-46.18,;1.94,-45.65,;1.95,-43.85,;2.52,-42.57,;2.59,-44.1,;1.2,-44.86,;.87,-46.41,)|

BDBM50232605

Clc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1 |r,wU:9.18,t:6,TLB:17:9:13.12:15.16,THB:8:9:13.12:15.16,(59.32,-34.01,;57.78,-34.01,;57.01,-35.35,;55.47,-35.35,;54.7,-34.01,;53.16,-34.01,;52.39,-35.34,;53.01,-36.75,;51.87,-37.78,;50.53,-37.01,;50.52,-38.42,;48.35,-37.89,;48.36,-36.08,;48.93,-34.81,;49,-36.34,;47.61,-37.09,;47.28,-38.65,;50.85,-35.5,;55.47,-32.67,;57,-32.67,)|

BDBM50232606

Cc1cncc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:10.19,t:7,TLB:18:10:14.13:16.17,THB:9:10:14.13:16.17,(34.42,-36.17,;33.64,-34.83,;34.41,-33.5,;33.64,-32.16,;32.1,-32.16,;31.34,-33.49,;29.79,-33.49,;29.02,-34.83,;29.65,-36.24,;28.5,-37.27,;27.17,-36.49,;27.15,-37.91,;24.99,-37.37,;25,-35.57,;25.56,-34.29,;25.64,-35.82,;24.24,-36.58,;23.92,-38.14,;27.49,-34.99,;32.1,-34.83,)|

BDBM50232607

Cc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1 |r,wU:9.18,t:6,TLB:17:9:13.12:15.16,THB:8:9:13.12:15.16,(23.81,-33.08,;22.27,-33.08,;21.5,-34.42,;19.96,-34.42,;19.19,-33.08,;17.65,-33.08,;16.88,-34.41,;17.5,-35.82,;16.36,-36.85,;15.02,-36.08,;15.01,-37.49,;12.84,-36.96,;12.85,-35.15,;13.42,-33.88,;13.5,-35.41,;12.1,-36.16,;11.77,-37.72,;15.35,-34.57,;19.96,-31.74,;21.5,-31.74,)|

BDBM50232608

Cc1cccc(c1)-c1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1 |r,wU:15.25,t:13,TLB:23:15:19.18:21.22,THB:14:15:19.18:21.22,(60.25,-21.45,;59.49,-22.79,;60.27,-24.13,;59.49,-25.47,;57.95,-25.47,;57.18,-24.13,;57.95,-22.8,;55.65,-24.13,;54.88,-25.47,;53.34,-25.47,;52.58,-24.13,;51.04,-24.13,;50.27,-25.46,;50.89,-26.87,;49.75,-27.9,;48.42,-27.13,;48.4,-28.54,;46.24,-28.01,;46.25,-26.21,;46.81,-24.93,;46.89,-26.46,;45.49,-27.21,;45.17,-28.77,;48.74,-25.62,;53.34,-22.8,;54.88,-22.79,)|

BDBM50232609

C1N=C(Nc2nccc(n2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wU:17.18,t:1,TLB:16:17:21.20:23.24,THB:0:17:21.20:23.24,(38.44,-28.23,;39.58,-27.21,;38.96,-25.8,;39.73,-24.47,;41.27,-24.47,;42.04,-25.8,;43.58,-25.8,;44.34,-24.47,;43.57,-23.13,;42.04,-23.13,;44.34,-21.8,;45.89,-21.8,;46.66,-20.47,;45.88,-19.13,;44.33,-19.13,;43.57,-20.47,;37.43,-25.96,;37.11,-27.46,;37.09,-28.88,;34.93,-28.34,;34.94,-26.54,;35.51,-25.27,;35.58,-26.79,;34.18,-27.55,;33.86,-29.1,)|

BDBM50232610

COc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1 |r,wU:10.19,t:7,TLB:18:10:14.13:16.17,THB:9:10:14.13:16.17,(35.32,-21.48,;34.55,-22.82,;33.02,-22.82,;32.25,-24.16,;30.71,-24.16,;29.95,-22.82,;28.4,-22.82,;27.63,-24.15,;28.26,-25.56,;27.11,-26.59,;25.78,-25.82,;25.77,-27.23,;23.6,-26.69,;23.61,-24.89,;24.18,-23.62,;24.25,-25.14,;22.86,-25.9,;22.53,-27.46,;26.1,-24.31,;30.71,-21.49,;32.25,-21.48,)|

BDBM50232600

COc1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:11.20,t:8,TLB:19:11:15.14:17.18,THB:10:11:15.14:17.18,(10.08,-19.52,;10.85,-20.85,;10.08,-22.18,;10.85,-23.52,;10.08,-24.86,;8.54,-24.86,;7.78,-23.52,;6.24,-23.52,;5.46,-24.85,;6.09,-26.26,;4.94,-27.29,;3.61,-26.52,;3.6,-27.93,;1.43,-27.39,;1.44,-25.59,;2.01,-24.32,;2.08,-25.85,;.69,-26.6,;.36,-28.16,;3.93,-25.01,;8.54,-22.19,)|

BDBM50232599

CC(C)c1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:12.21,t:9,TLB:20:12:16.15:18.19,THB:11:12:16.15:18.19,(58.53,-10.45,;56.99,-10.45,;56.22,-9.12,;56.22,-11.78,;56.99,-13.12,;56.22,-14.46,;54.68,-14.45,;53.92,-13.12,;52.38,-13.12,;51.61,-14.45,;52.23,-15.86,;51.09,-16.88,;49.76,-16.11,;49.74,-17.52,;47.58,-16.99,;47.59,-15.19,;48.16,-13.92,;48.23,-15.44,;46.84,-16.2,;46.51,-17.75,;50.08,-14.61,;54.68,-11.79,)|

BDBM50232598

Cc1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:10.19,t:7,TLB:18:10:14.13:16.17,THB:9:10:14.13:16.17,(45.92,-10.63,;45.15,-11.97,;45.92,-13.31,;45.15,-14.64,;43.61,-14.64,;42.85,-13.3,;41.31,-13.3,;40.53,-14.64,;41.16,-16.04,;40.01,-17.07,;38.68,-16.3,;38.67,-17.71,;36.5,-17.18,;36.51,-15.38,;37.08,-14.1,;37.15,-15.63,;35.76,-16.39,;35.43,-17.94,;39,-14.8,;43.61,-11.97,)|

BDBM50232597

C1N=C(Nc2cncnc2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(16.17,-17.15,;17.32,-16.12,;16.69,-14.71,;17.47,-13.38,;19.01,-13.38,;19.77,-14.72,;21.32,-14.72,;22.08,-13.38,;21.31,-12.04,;19.77,-12.05,;15.16,-14.87,;14.84,-16.38,;14.83,-17.79,;12.66,-17.26,;12.67,-15.46,;13.24,-14.18,;13.31,-15.71,;11.91,-16.47,;11.59,-18.02,)|

BDBM50232596

C1N=C(Nc2ccncn2)OC11CN2CCC1CC2 |t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(5.42,-16.68,;6.57,-15.65,;5.95,-14.24,;6.72,-12.9,;8.26,-12.91,;9.02,-11.57,;10.56,-11.57,;11.33,-12.91,;10.57,-14.24,;9.03,-14.24,;4.41,-14.4,;4.09,-15.9,;4.08,-17.32,;1.91,-16.78,;1.92,-14.98,;2.49,-13.7,;2.56,-15.23,;1.16,-15.99,;.84,-17.55,)|

BDBM50232611

C1N=C(Nc2ncc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(28.62,-8.14,;29.77,-7.11,;29.14,-5.71,;29.91,-4.37,;31.46,-4.37,;32.22,-5.71,;33.76,-5.71,;34.53,-4.38,;36.07,-4.38,;36.84,-3.04,;36.06,-1.7,;34.52,-1.7,;33.76,-3.04,;32.22,-3.04,;27.61,-5.87,;27.29,-7.37,;27.28,-8.78,;25.11,-8.25,;25.12,-6.45,;25.69,-5.17,;25.76,-6.7,;24.37,-7.46,;24.04,-9.01,)|

BDBM50232612

C1N=C(Nc2cc3cccnc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(16.97,-7.96,;18.11,-6.94,;17.49,-5.53,;18.26,-4.19,;19.81,-4.2,;20.57,-2.86,;22.11,-2.86,;22.87,-1.52,;24.41,-1.52,;25.19,-2.86,;24.42,-4.2,;22.88,-4.2,;22.11,-5.53,;20.57,-5.53,;15.96,-5.69,;15.64,-7.19,;15.62,-8.6,;13.46,-8.07,;13.47,-6.27,;14.04,-4.99,;14.11,-6.52,;12.71,-7.28,;12.39,-8.83,)|

BDBM50232593

C1N=C(Nc2cnccn2)OC11CN2CCC1CC2 |t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(28.22,-17.23,;29.37,-16.2,;28.74,-14.79,;29.51,-13.46,;31.06,-13.46,;31.82,-12.12,;33.36,-12.12,;34.13,-13.46,;33.36,-14.8,;31.82,-14.79,;27.21,-14.95,;26.89,-16.46,;26.87,-17.87,;24.71,-17.34,;24.72,-15.53,;25.28,-14.26,;25.36,-15.78,;23.96,-16.54,;23.64,-18.1,)|

BDBM50232594

C1N=C(Nc2cc(ncn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wD:17.19,t:1,TLB:0:17:20.21:24.23,THB:16:17:20.21:24.23,(15.47,-25.27,;15.91,-23.79,;14.64,-22.92,;14.61,-21.38,;15.93,-20.58,;15.89,-19.04,;17.21,-18.24,;18.57,-18.98,;18.6,-20.53,;17.28,-21.33,;17.16,-16.7,;18.48,-15.9,;18.45,-14.36,;17.09,-13.62,;15.77,-14.43,;15.82,-15.97,;13.42,-23.85,;13.93,-25.31,;14.79,-26.41,;13.02,-27.37,;12.76,-28.49,;11.95,-27.32,;12.44,-25.93,;11.22,-24.85,;11.51,-26.06,)|

BDBM50232617

CC(C)c1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1 |r,wU:10.19,t:7,TLB:18:10:14.13:16.17,THB:9:10:14.13:16.17,(36.22,-40.4,;34.68,-40.4,;33.91,-39.06,;33.91,-41.73,;32.37,-41.74,;31.61,-43.07,;30.07,-43.07,;29.3,-44.4,;29.92,-45.81,;28.78,-46.84,;27.45,-46.07,;27.43,-47.48,;25.27,-46.95,;25.28,-45.15,;25.84,-43.87,;25.92,-45.4,;24.52,-46.15,;24.2,-47.71,;27.77,-44.56,;32.38,-44.41,;33.92,-44.41,;34.68,-43.07,)|

BDBM50232616

COc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1 |r,wU:10.19,t:7,TLB:18:10:14.13:16.17,THB:9:10:14.13:16.17,(48.39,-32.21,;47.62,-33.55,;46.09,-33.55,;45.32,-34.89,;43.78,-34.89,;43.01,-33.55,;41.47,-33.55,;40.7,-34.88,;41.32,-36.29,;40.18,-37.32,;38.84,-36.55,;38.83,-37.96,;36.66,-37.43,;36.67,-35.63,;37.24,-34.35,;37.31,-35.88,;35.92,-36.64,;35.59,-38.19,;39.17,-35.04,;43.78,-32.21,;45.31,-32.21,)|

BDBM50232615

Cc1nccnc1NC1=NC[C@@]2(CN3CCC2CC3)O1 |r,wU:11.21,t:9,TLB:19:11:15.14:17.18,THB:10:11:15.14:17.18,(8.41,-30.01,;9.19,-31.34,;10.73,-31.33,;11.5,-32.68,;10.73,-34.01,;9.19,-34.01,;8.42,-32.67,;6.88,-32.67,;6.11,-34.01,;6.73,-35.42,;5.59,-36.44,;4.25,-35.67,;4.24,-37.09,;2.07,-36.55,;2.08,-34.75,;2.65,-33.47,;2.73,-35,;1.33,-35.76,;1,-37.31,;4.58,-34.17,)|

BDBM50232613

Cc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1 |r,wU:9.18,t:6,TLB:17:9:13.12:15.16,THB:8:9:13.12:15.16,(22.65,-23.58,;21.11,-23.58,;20.35,-24.92,;18.81,-24.91,;18.04,-23.58,;16.5,-23.58,;15.73,-24.91,;16.35,-26.32,;15.21,-27.34,;13.88,-26.57,;13.86,-27.99,;11.7,-27.45,;11.71,-25.65,;12.27,-24.38,;12.35,-25.9,;10.95,-26.66,;10.63,-28.21,;14.2,-25.07,;18.8,-22.24,;20.34,-22.24,)|

BDBM50232614

C1N=C(Nc2cnccn2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(28.22,-17.23,;29.37,-16.2,;28.74,-14.79,;29.51,-13.46,;31.06,-13.46,;31.82,-12.12,;33.36,-12.12,;34.13,-13.46,;33.36,-14.8,;31.82,-14.79,;27.21,-14.95,;26.89,-16.46,;26.87,-17.87,;24.71,-17.34,;24.72,-15.53,;25.28,-14.26,;25.36,-15.78,;23.96,-16.54,;23.64,-18.1,)|

BDBM50232595

C1N=C(Nc2ncccn2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(52.08,-7.56,;53.22,-6.53,;52.6,-5.12,;53.37,-3.79,;54.91,-3.79,;55.68,-5.13,;57.22,-5.13,;57.98,-3.79,;57.21,-2.45,;55.68,-2.46,;51.07,-5.28,;50.75,-6.79,;50.73,-8.2,;48.57,-7.67,;48.58,-5.86,;49.15,-4.59,;49.22,-6.12,;47.82,-6.87,;47.5,-8.43,)|

BDBM50235305

[O-][N+]12CCC(CC1)[C@]1(CN=C(Nc3cc(ncn3)-n3ccnc3)O1)C2 |r,wD:7.8,t:10,TLB:8:7:2.3:6.5,THB:23:7:2.3:6.5,(18.1,-27.12,;18.11,-25.58,;17.11,-26.15,;17.42,-24.76,;18.77,-24.18,;18.74,-22.54,;18.04,-23.58,;20.24,-24.84,;21.31,-25.95,;22.7,-25.27,;22.48,-23.75,;23.59,-22.66,;25.09,-23.09,;26.19,-22.02,;27.68,-22.44,;28.06,-23.95,;26.95,-25.02,;25.46,-24.59,;28.78,-21.37,;28.55,-19.84,;29.93,-19.16,;31,-20.26,;30.29,-21.62,;20.96,-23.48,;20.01,-26.23,)|

BDBM50235306

C1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2 |r,wD:16.18,t:1,TLB:0:16:19.20:23.22,THB:15:16:19.20:23.22,(31.2,-13.57,;31.65,-12.09,;30.38,-11.22,;30.34,-9.66,;31.67,-8.85,;31.64,-7.31,;32.95,-6.51,;34.32,-7.25,;34.35,-8.8,;33.03,-9.6,;32.91,-4.97,;31.64,-4.11,;32.08,-2.63,;33.62,-2.59,;34.13,-4.04,;29.15,-12.15,;29.66,-13.6,;30.52,-14.71,;28.75,-15.67,;28.49,-16.79,;27.69,-15.62,;28.18,-14.23,;26.95,-13.14,;27.24,-14.35,)|

BDBM50238584

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCSC)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r|